smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features COCCCn1c(CN2CCN(c3ccccc3)C(=O)C2)cnc1S(C)(=O)=O 55167730 OBOLYVLCRUMUMX-UHFFFAOYSA-N 406.508 1.172 0 50 HDAA CN(Cc1ccoc1)C(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(c4ccc(CCO)cc4)C(=O)[C@@H]13)O2 77407582 KMRSBFCYEPWJMN-GJPOJAMWSA-N 408.454 1.759 0 50 HDAA COC[C@H]1CCCN1S(=O)(=O)c1ccc2c(c1)CCN(C(=O)c1cc[nH]n1)C2 77503917 ZHKUFYHKXXUSRM-MRXNPFEDSA-N 404.492 1.408 0 50 HDAA CC(=O)SC[C@H](C)C(=O)N1CCC[C@@H]1C(=O)N[C@H](Cc1ccccc1)C(=O)O 109833330 FHHHOYXPRDYHEZ-IAOVAPTHSA-N 406.504 1.705 0 50 HDAA COC(=O)C[C@H](c1cc(OC)c2c(c1)OCO2)c1c(O)cc(C)n(CC(=O)O)c1=O 217818973 IGPSLYMBHNARGV-GFCCVEGCSA-N 419.386 1.379 0 50 HDAA biogenic Cn1nccc1CN1CCC(N2C[C@@H](COc3ccc(F)cc3)OCC2=O)CC1 299759547 UNDLJSQZIKCJOB-FQEVSTJZSA-N 402.470 1.830 0 50 HDAA COc1ccc(C(=O)N2CCC[C@@H](n3ncc(N4CCOCC4)cc3=O)C2)cc1F 328604036 IDKXUWYUQQJPPN-MRXNPFEDSA-N 416.453 1.705 0 50 HDAA Cc1cc(NC(=O)CCN2C[C@H]3CCC[C@@]3(c3nc(-c4cnccn4)no3)C2)no1 328606669 SJJCNOHJCJALCC-JLTOFOAXSA-N 409.450 2.205 0 50 HDAA O=C1CN(C(=O)c2ccc(CNC(=O)N[C@@H]3[C@H]4CCc5ccccc5[C@H]43)cc2)CCN1 435795164 PJPBGVSIOZGHAI-KSEOMHKRSA-N 418.497 1.786 0 50 HDAA Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)N1C[C@H](C)OC2(CCOCC2)C1 468542299 NWKIRCQOJFGICV-ZDUSSCGKSA-N 415.494 1.174 0 50 HDAA O=C1C[C@H](C(=O)N2CCN(c3nc4ccccc4o3)CC2)CN1Cc1cccnc1 827695792 DVMLBFVJZYFXFW-KRWDZBQOSA-N 405.458 1.920 0 50 HDAA C[C@@]1(NC(=O)C2CCOCC2)CCOC2(CCN(C(=O)c3ccccn3)CC2)[C@H]1O 1704311449 KETZNEWLYTUPLL-LEWJYISDSA-N 417.506 1.139 0 50 HDAA Cc1cc2[nH]cc(C(=O)N3C[C@@H](O)[C@H](Cc4ccc5ccccc5n4)C3)c(=O)n2n1 1704338669 WUJCSNCGNJQPCC-DNVCBOLYSA-N 403.442 1.555 0 50 HDAA CCC(CC)(CNC(=O)c1ccc2c(c1)C(=O)N([C@@H]1CCC(=O)NC1=O)C2)C(=O)O 2325897092 OIBYJRXDIYQSME-OAHLLOKOSA-N 415.446 1.068 0 50 HDAA CC1=C(C(=O)N2CCOc3ccc(CN4CCC[C@H](CO)C4)cc3C2)OCCO1 12019986 INXYNSIYXUQDKO-SFHVURJKSA-N 402.491 1.890 0 50 HDAA COc1cccc(CN(C)Cc2nonc2C)c1OC[C@@H](O)CN1CCOCC1 12075495 UDKSZBLUMWXTQP-KRWDZBQOSA-N 406.483 1.091 0 50 HDAA COC(=O)C1CCN(C[C@H](O)COc2cccc(CNCC(C)(C)OC)c2)CC1 12580802 XLMBKKUTZSPHOD-IBGZPJMESA-N 408.539 1.826 0 50 HDAA CCN1CCC[C@@H]1CN(CC1CCN(CCOC)CC1)C(=O)c1ccc[n+]([O-])c1 15072153 WMKAWLQDYDUZND-OAQYLSRUSA-N 404.555 1.605 0 50 HDAA O=C(CN1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)N1CCOCC1 18229970 PUAWBTKURBGXDX-JQBYJRRVSA-N 402.450 1.737 0 50 HDAA O=C(C[C@@H]1C(=O)NCCN1Cc1cccc(C(F)(F)F)c1)NCCc1cnccn1 55183431 YFTFCKAHGDMKJC-QGZVFWFLSA-N 421.423 1.545 0 50 HDAA CC(=O)NCC(=O)N1CCC[C@@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 55211742 GAYKIBOTIYKBGK-GOSISDBHSA-N 412.456 1.955 0 50 HDAA CCc1nc(N2CCC(N3CCC[C@H](C(=O)N4CCOCC4)C3)CC2)ncc1C 71750677 OPDDPMAWSYMCPS-SFHVURJKSA-N 401.555 1.887 0 50 HDAA COc1cccc(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N(C)Cc3ccno3)[C@H]4C2=O)c1 77440799 CHMITRONMBFIPR-OZIGNCPNSA-N 409.442 1.624 0 50 HDAA Cc1ccc(CNS(=O)(=O)c2ccc3c(c2)CN(C(=O)Cn2cccn2)CC3)o1 77504821 UWMZITZQFBZIPL-UHFFFAOYSA-N 414.487 1.848 0 50 HDAA CS(=O)(=O)c1ccc(N[C@@H]2CCC(=O)N[C@H]2c2ccccc2)c(S(C)(=O)=O)c1 225580628 SBVLSCHXXMCREA-APWZRJJASA-N 422.528 1.925 0 50 HDAA CCOc1cc(C(=O)N2CCC[C@]3(C2)NC(=O)NC3=O)ccc1OCc1ccncc1 225723059 RDXKPTQWBRMXKC-JOCHJYFZSA-N 424.457 1.874 0 50 HDAA CN(CC(=O)OC(C)(C)C)[C@H]1CN(C(=O)c2ccccc2OC(F)F)C[C@H]1O 253630149 PWRAURUNJPTVQF-UONOGXRCSA-N 400.422 1.747 0 50 HDAA O=C([C@H]1CCCCN1C(=O)c1ccc(O)nn1)N1CCCN2c3ccccc3C[C@H]2C1 427029624 JVXDFPXLMSLWOF-FXAWDEMLSA-N 421.501 1.841 0 50 HDAA CN1CCN(c2ccc(NC(=O)C(=O)NCCNc3cnccn3)cc2Cl)CC1 737237315 NVNITIJQSCKESP-UHFFFAOYSA-N 417.901 1.049 0 50 HDAA CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC(C(=O)N3CCOCC3)CC1)C(=O)C2 952869093 WTHODAGQKDDYMW-OXQOHEQNSA-N 412.552 1.282 0 50 HDAA O=C(Cc1ccc2c(c1)OCO2)N1C[C@H]2CN(Cc3ccns3)C[C@@]2(CO)C1 1772806097 SZYNFJNVFBANAJ-QRWLVFNGSA-N 401.488 1.367 0 50 HDAA CCCO[C@H]1C[C@@H](C(=O)NCc2cccc(CO)c2)CC[C@@H]1NC(=O)c1cn[nH]c1 1857694750 VZDLWKVDWJPLCB-IHPCNDPISA-N 414.506 1.912 0 50 HDAA NC(=O)COc1cccc(C(=O)N2CC[C@@]34O[C@@H](c5ccccc5)CN3C(=O)C[C@@H]24)c1 1857731702 XSKIJKGTPQSNML-PWHSHALESA-N 421.453 1.465 0 50 HDAA CCc1nnc(N2C[C@@H](C(=O)NCCN(C)CCc3ccccc3)CC2=O)s1 1857733575 PIKSFNQWEFVWJI-INIZCTEOSA-N 401.536 1.744 0 50 HDAA O=C(NC[C@H](CO)Cc1ccccc1Cl)c1ccc(-n2[nH]c(O)nc2=O)cc1 1875265156 UYLLJFUOCFIEFJ-GFCCVEGCSA-N 402.838 1.501 0 50 HDAA CC[C@H]1C(=O)NCCCN1C(=O)CCc1cn([C@@H](Cc2ccccc2)C(=O)O)nn1 1875355141 BEIQRBFATDKROI-ROUUACIJSA-N 413.478 1.206 0 50 HDAA CCN1C[C@H](C(=O)N2CCCC[C@H](NC(=O)c3cccc(N)c3C)C2)CCC1=O 2325864535 RLPLLZQKYZACGN-SJORKVTESA-N 400.523 1.947 0 50 HDAA O=C1CC[C@H](N2Cc3cc(C(=O)N4CCC[C@]5(CCCCN5)C4)ccc3C2=O)C(=O)N1 2325896284 VPPHKONUTJVCIS-FDDCHVKYSA-N 424.501 1.196 0 50 HDAA O=c1c2cc3c(=O)n(-c4ccccc4O)c(=O)c3cc2c(=O)n1-c1ccccc1O 763022 WYKSZSGFWPSFIS-UHFFFAOYSA-N 400.346 1.302 0 50 HDAA COc1ccc(S(=O)(=O)N2CCN(C(=O)COc3ccc(C)cc3)CC2)cc1 1201079 RJYOMEKBBMXULY-UHFFFAOYSA-N 404.488 1.916 0 50 HDAA O=C1CCCN1CCCN1C[C@@H](OCC2CC2)CN(C(=O)c2ccoc2)CC1=O 14534847 UFQFSHCTXZIGLR-GOSISDBHSA-N 403.479 1.372 0 50 HDAA CCOC(=O)N1CCN([C@H]2CCCN(C(=O)Cc3ccc4c(c3)OCO4)C2)CC1 20204453 MGTYWOHFARJAOM-KRWDZBQOSA-N 403.479 1.723 0 50 HDAA Nc1cc(C(=O)N2CCC(N3CCC[C@H](C(=O)NCCc4ccccc4)C3)CC2)n[nH]1 71774790 YPWMDMFNUBKONH-SFHVURJKSA-N 424.549 1.667 0 50 HDAA COc1ccc([C@H](O)C(=O)N2CCC3(CCC(=O)N(CCN(C)C)C3)CC2)cc1 95357540 KSEXNQRFRMXZEB-FQEVSTJZSA-N 403.523 1.521 0 50 HDAA Cc1cn2nc(C(=O)N3CCC(NC(=O)COc4ccccc4)CC3)cc2c(=O)[nH]1 169777002 VFDIWKJIFOMGEX-UHFFFAOYSA-N 409.446 1.131 0 50 HDAA COc1ccc([C@H]2OCC[C@@H]2NS(=O)(=O)c2cnc3c(c2)c(C)nn3C)cn1 225546520 PRRPHWYQOZSIII-DOTOQJQBSA-N 403.464 1.489 0 50 HDAA CC[C@H](C)N1C(=O)[C@@H]2[C@H]([C@H](C)O)N[C@@]3(C(=O)Nc4c(C)cc(Cl)cc43)[C@@H]2C1=O 245255693 KYBSGTWCHDEYMC-BEODIBAESA-N 405.882 1.548 0 50 HDAA CCS(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)NC[C@H]1Cc2ccccc2O1 252452770 AXVXFEIZXQPWRU-RTBURBONSA-N 400.500 1.883 0 50 HDAA O=C(N[C@@H]1CC(=O)N([C@@H]2C[C@@H]2c2ccccc2)C1)c1ccc(-c2nc(=O)o[nH]2)cc1 440403525 SOGZBIVAPWJWSK-KZNAEPCWSA-N 404.426 1.917 0 50 HDAA Cc1nn(C)c(Cl)c1CN1CC[C@H](N2CCN(c3ccccn3)CC2)[C@@H](O)C1 1073258208 VLUHHXKATHCLGC-ROUUACIJSA-N 404.946 1.534 0 50 HDAA O=C1CC[C@H](N2CCCN(S(=O)(=O)N3CCCCC3)CC2)CCN1CC1CC1 1506398837 VAUYWSMNXQFGAF-IBGZPJMESA-N 412.600 1.516 0 50 HDAA CCCCc1nc(CN2CC[C@H]3[C@@H]2CC(=O)N3CCN2CCOCC2)c(Cl)[nH]1 1800414378 QBYGSGHCIMXHCL-IRXDYDNUSA-N 409.962 1.913 0 50 HDAA Cc1nn(C)c(C)c1CCC(=O)N1CC[C@H]2[C@@H]1CC(=O)N2CCc1cscn1 1857693278 PNPYEZQEPIZGRQ-ROUUACIJSA-N 401.536 1.871 0 50 HDAA COC(=O)[C@H]1C[C@H]2CN(C(=O)CCc3n[nH]c(C)c3C)CC(=O)N2[C@H]1c1ccccc1 1857740339 FNSXTBMRZBTCHS-SPEDKVCISA-N 424.501 1.933 0 50 HDAA CN1C(=O)c2ccccc2[C@H]1CNC(=O)NCCS(=O)(=O)c1ccc(F)cc1 1875318406 ODMQIMDHCNRJSO-QGZVFWFLSA-N 405.451 1.726 0 50 HDAA O=C1CC[C@@H](N2Cc3ccc(-n4cc(-c5ccncc5F)nn4)cc3C2=O)C(=O)N1 1875355782 QEMXMNCZKRHBTJ-QGZVFWFLSA-N 406.377 1.229 0 50 HDAA CCc1noc(COCC(=O)N[C@@H](C)C[C@H](C)NC(=O)C2(OC(C)C)CCC2)n1 2325828273 CIUCNOJYRGGCJH-GJZGRUSLSA-N 410.515 1.896 0 50 HDAA CC1CCC(N2C[C@@H](C(=O)N[C@@H]3CCN(c4cc(O)nc(O)n4)C3)CC2=O)CC1 2325878706 YZSPVFVFKBHAFE-RAFNIBEQSA-N 403.483 1.010 0 50 HDAA O=C(N=[S@]1(=O)CCCN(C(=O)[C@@H]2CCCO2)CC1)c1ccc(Cn2cccn2)o1 2332238599 FCUKXZIOWAWARC-ADKRDUOOSA-N 420.491 1.544 0 50 HDAA O=C(c1cc(S(=O)(=O)N2CCOCC2)cs1)N1CCN(c2ccccc2)CC1 991165 MQPKZDPLTSAAKZ-UHFFFAOYSA-N 421.544 1.731 0 50 HDAA COCCNC(=O)COc1ccc(OCCNC[C@H](O)COc2ccccc2)cc1 3793213 RVMBDLSFFNKKLG-SFHVURJKSA-N 418.490 1.236 0 50 HDAA in-vitro COc1cc(CNCCCn2ccnc2C)ccc1OC[C@@H](O)CN1CCOCC1 11820105 HCEWJZQTHOYOCF-FQEVSTJZSA-N 418.538 1.452 0 50 HDAA COCCN1C(=O)N(CCc2ccccc2)C(=O)C12CCN(Cc1ncc[nH]1)CC2 14749285 STZRLMHRGXPZQY-UHFFFAOYSA-N 411.506 1.898 0 50 HDAA CN(Cc1ccco1)C(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(c4ccc(CCO)cc4)C(=O)[C@H]13)O2 77471583 XFSZADIVTTTXTJ-SRYPRDQNSA-N 408.454 1.759 0 50 HDAA Cc1cc(C(=O)NC[C@H]2CN(CC3CCN(CC4CC4)CC3)C(=O)CO2)ccc1O 299780656 AXXHNAIILKTHAT-FQEVSTJZSA-N 415.534 1.780 0 50 HDAA CNS(=O)(=O)c1ccc(C(=O)Nc2ccc(N3C[C@H](C)O[C@H](C)C3)nc2)cn1 472727868 MIDFSEBHMUEDDJ-BETUJISGSA-N 405.480 1.251 0 50 HDAA CC(C)C(=O)N1CCn2nc(CNC(=O)NC[C@H](C)Oc3cccnc3)cc2C1 534676314 QBGFQVONMHQPIB-HNNXBMFYSA-N 400.483 1.543 0 50 HDAA CCc1noc([C@H]2CC[C@H](NS(=O)(=O)c3ccc4c(c3)n(C)c(=O)n4C)C2)n1 1309921452 RYHYPAYLHXEOTJ-RYUDHWBXSA-N 405.480 1.437 0 50 HDAA CN(C)c1nc2c(c(N3CCC(O)CC3)n1)CN(CCn1cc(Cl)cn1)CC2 1529168626 IPHABSVURDPFEP-UHFFFAOYSA-N 405.934 1.412 0 50 HDAA CC[C@@H]1[C@H](C(=O)N2CCC(OC)CC2)C[C@@H]2CN(c3ncc(F)cn3)CC(=O)N21 1857682239 SPDSCGQJLOIKPD-DJIMGWMZSA-N 405.474 1.069 0 50 HDAA Cc1ncn(-c2ccc(NC(=O)[C@@H]3CCNC34CCS(=O)(=O)CC4)cc2)c1C 2325840463 BAOKCKHAYHWEIO-SFHVURJKSA-N 402.520 1.985 0 50 HDAA CCC/C=C/[C@H](O)C(=O)N(C)[C@H]1[C@@H]2CN(C(=O)c3ccn(-c4cccnc4)n3)C[C@@H]21 2325872345 SULJCMDRZZZPJN-RKYCEZBASA-N 409.490 1.513 0 50 HDAA O=C(CN1CCN(c2ncccn2)CC1)N1CCC2(CC1)OCCc1ccsc12 2356139624 UWWWTIKUXDXPDA-UHFFFAOYSA-N 413.547 1.751 0 50 HDAA O=C1C[C@]2(C(=O)N1)C(=O)N(Cc1ccc(Br)cc1F)C(=O)c1cccn12 598588 QCVNMNYRNIMDKV-KRWDZBQOSA-N 420.194 1.314 0 50 HDAA in-man COc1ccccc1N1CCN(C(=O)CCNS(=O)(=O)c2ccccc2)CC1 5392379 YYLJLLURQHNHAZ-UHFFFAOYSA-N 403.504 1.712 0 50 HDAA CCn1nc(C)c(CNC(=O)C[C@@H]2C(=O)NCCN2Cc2cccc(F)c2F)c1C 14970376 WPPHNWOYJNQLBC-GOSISDBHSA-N 419.476 1.805 0 50 HDAA COc1ccc(OC[C@@H](O)CN2CCC(O)CC2)c(CNCC2(O)CCCCC2)c1 15066573 GUMOXUSRAUAGED-FQEVSTJZSA-N 422.566 1.676 0 50 HDAA CN(Cc1nc2ccccc2o1)C(=O)[C@H]1CCC(=O)N(CCCN2CCOCC2)C1 20540169 DJXJVWLCBDXNKS-KRWDZBQOSA-N 414.506 1.747 0 50 HDAA CCOC(=O)c1c(NC(=O)CN2CCN(C(=O)[C@@H]3CCCO3)CC2)sc(C)c1C 35898049 UVSOKELXLAWYMY-HNNXBMFYSA-N 423.535 1.803 0 50 HDAA COc1ccc(S(=O)(=O)[C@@H]2CS(=O)(=O)C[C@@H]2NC2CCCCC2)cc1C 55408882 ZEJOSAMXYYDSTG-FUHWJXTLSA-N 401.550 1.865 0 50 HDAA CCN1CCN(C(=O)c2cc3c(=O)n4cccc(C)c4nc3n2CCCOC)CC1 55566583 HZMFVKOYWQYXPM-UHFFFAOYSA-N 411.506 1.772 0 50 HDAA Cc1cc(N2CCN(C(=O)c3sc(C)nc3C)CC2)nc(N2CCOCC2)n1 67601902 BXROSKWVTCJGHJ-UHFFFAOYSA-N 402.524 1.657 0 50 HDAA Cc1ccccc1C[C@]1(C2CCN(Cc3cn[nH]c3C(=O)O)CC2)NC(=O)NC1=O 67673591 WSOJHDZLAPXYLK-OAQYLSRUSA-N 411.462 1.449 0 50 HDAA C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(c2cc(N3CCN(C)C(=O)C3)ncn2)C1 170599639 VHRGIXFSXMHQOF-HOTGVXAUSA-N 418.542 1.885 0 50 HDAA NC(=O)c1cccc(CNS(=O)(=O)c2ccccc2S(=O)(=O)C(F)(F)F)c1 225833880 XSAONTCOEBSVTJ-UHFFFAOYSA-N 422.406 1.558 0 50 HDAA O=C(NCc1cccnc1)[C@H]1[C@@H]2C(=O)N(c3ccc4c(c3)OCO4)C[C@@]23C=C[C@H]1O3 227248994 RHMRQORKHHXYNZ-KIQACKJLSA-N 405.410 1.413 0 50 HDAA COC(=O)c1cncc(NS(=O)(=O)c2ccccc2S(=O)(=O)C(F)(F)F)c1 328594464 LWGZUGNLNJSOBP-UHFFFAOYSA-N 424.378 1.963 0 50 HDAA COc1cccc(CN2CCC[C@@]3(CCN(CCC(=O)N(C)C)C3)C2=O)c1OC 426701546 DCDPCEGQIUYGKB-QFIPXVFZSA-N 403.523 1.997 0 50 HDAA Cc1cccc(C[C@@H](CO)NC(=O)c2nc(C)n(-c3n[nH]c(C(F)(F)F)n3)n2)c1 470470632 NJFWAKPXLCUCCL-LBPRGKRZSA-N 409.372 1.354 0 50 HDAA Cc1nc2nc(N)nn2c(C)c1CCC(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 498886132 FBBIAXUUSAYNLO-AWEZNQCLSA-N 409.498 1.658 0 50 HDAA O=C(Cc1ccc2c(c1)OCO2)N[C@@H]1C2CN3CCN(C2)CC1(c1ccccc1)C3 670437230 WSALSOSEVPPJSF-WHKWTHTOSA-N 405.498 1.642 0 50 HDAA NC(=O)COc1ccc(S(=O)(=O)NCCN2CCC[C@H](c3ccccc3)C2)cc1 670465043 FOTYYMMTAQXNEQ-SFHVURJKSA-N 417.531 1.709 0 50 HDAA COc1cc(CN2C[C@@H]3CN(Cc4cc(C)no4)C[C@]3(CO)C2)cc2c1OCO2 1772708599 DONUGRCMSRUFKA-IERDGZPVSA-N 401.463 1.647 0 50 HDAA CSCC(=O)N1C[C@H]2CN(CCC(=O)N3CCc4ccccc4C3)C[C@@]2(CO)C1 1772710589 BWDYRZRQPPELNS-KNQAVFIVSA-N 417.575 1.077 0 50 HDAA Cc1ccc(C)c(S(=O)(=O)N2C[C@@H]3CC[C@H](C2)[C@@H]3NC(=O)[C@@H]2CCC(=O)N2)c1 1857686118 IVJCELJEQXANFU-CYJAXWMASA-N 405.520 1.097 0 50 HDAA COc1ccccc1N1CCN([C@@H]2CC(=O)N(c3ccc(C(=O)O)cc3)C2=O)CC1 821730 BRTRXHGJJRPAST-GOSISDBHSA-N 409.442 1.848 0 50 HDAA CCOCCCNC(=O)[C@H]1CCCN1c1nc(C)c2ccc(S(C)(=O)=O)cc2n1 12100179 HLVLJOPINBVMHQ-GOSISDBHSA-N 420.535 1.853 0 50 HDAA COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NCc2cnc(C)cn2)c(C)c1C 12591112 YPDFIDGAPOIEGH-IBGZPJMESA-N 411.506 1.417 0 50 HDAA CO[C@H](C(=O)N1CCc2nnc(CNC(=O)c3ccccc3)n2CC1)c1ccccc1 15000744 NIDCVXITPJITBK-NRFANRHFSA-N 419.485 1.981 0 50 HDAA COc1cccc(S(=O)(=O)N2CCN(c3cc(-n4ccnc4)ncn3)CC2)c1 72139244 VUUJKWWACIMISO-UHFFFAOYSA-N 400.464 1.182 0 50 HDAA CCN1CCC[C@@H]1CNC(=O)CCC1CCN(C(=O)c2cc(C)[nH]c(=O)c2)CC1 95519609 CFBCJJBCAJQZDF-LJQANCHMSA-N 402.539 1.916 0 50 HDAA CCCCn1c(N)c(N(CC)CCc2c(C)nc3ccccn3c2=O)c(O)nc1=O 253630189 KPEUEUQUEOTMIA-UHFFFAOYSA-N 412.494 1.717 0 50 HDAA COc1cc(CN2CCC[C@@H]2c2nc(C)no2)ccc1OCC(=O)N1CCOCC1 516348152 OYKDVRFXKFQCNF-QGZVFWFLSA-N 416.478 1.961 0 50 HDAA CC(C)[C@@H](NC(=O)N1CCO[C@@]2(CCS(=O)(=O)C2)C1)c1nc2ccccc2[nH]1 1477750411 TUEQNBYKFKCLMF-APWZRJJASA-N 406.508 1.859 0 50 HDAA O=C(N[C@H]1CCCC12CCN(Cc1cccnc1)CC2)c1cc(-n2cnnn2)n[nH]1 1857697096 VGFMRYWBNPZMKZ-KRWDZBQOSA-N 407.482 1.345 0 50 HDAA COC1(C(=O)NCc2cn3nc(C)sc3n2)CCN(Cc2nnc(C)o2)CC1 1857699486 VPQWYDGTYJCURU-UHFFFAOYSA-N 405.484 1.088 0 50 HDAA CCn1cc(C(=O)NC[C@H]2CN(CC3CCN(CC4CC4)CC3)C(=O)CO2)c(C)n1 1857709474 ZKKMEGBJGUOURT-IBGZPJMESA-N 417.554 1.291 0 50 HDAA Nc1ccc(F)cc1-c1cn(-c2ccc3c(c2)CN([C@@H]2CCC(=O)NC2=O)C3=O)nn1 1875356397 UYKRPWKGGQKSPQ-GOSISDBHSA-N 420.404 1.417 0 50 HDAA O=C(CNC(=O)NCCNC(=O)c1cccs1)N[C@@H]1CCCc2ccccc21 2325826273 WJGVNKIGOYZCPP-MRXNPFEDSA-N 400.504 1.971 0 50 HDAA N[C@@H](Cc1cc(Br)ccn1)C(=O)NS(=O)(=O)c1cccc(Cl)c1 2325865450 CNZRGDCFWGFKKB-ZDUSSCGKSA-N 418.700 1.872 0 50 HDAA COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3CCOCC3)cc2)cc1 811795 UONQYYQATKBSIQ-UHFFFAOYSA-N 406.460 1.734 0 50 HDAA O=S(=O)(c1ccc(NC(=S)NCCCn2ccnc2)cc1)N1CCOCC1 6147899 BZOYPZNSLZXGEV-UHFFFAOYSA-N 409.537 1.281 0 50 HDAA COCCOc1ccc(C(=O)N2CCNC(=O)[C@@H]2CC(=O)OC2CCCCC2)cc1 12137720 FMMLUKWBAJDXQS-IBGZPJMESA-N 418.490 1.918 0 50 HDAA CCCn1nc(C(=O)N2CCN(C)CC2)c2c1CC[C@@H](NCC1(O)CCCCC1)C2 14534375 BFHXWZZHLXEJHR-GOSISDBHSA-N 417.598 1.823 0 50 HDAA COC(=O)CCNC(=O)c1nn(CC2CC2)c2c1CN(C(=O)c1ccccc1)CC2 14749313 ILLNOLMXJFUAMZ-UHFFFAOYSA-N 410.474 1.785 0 50 HDAA C[C@@H](O)[C@H](NC(=O)c1cc(CN2CCC(Cc3ccccc3)CC2)on1)C(N)=O 67821246 WSRBTBUEGBUTAI-KUHUBIRLSA-N 400.479 1.094 0 50 HDAA COC(=O)c1ccc(-c2noc(CN3CCN(C(=O)[C@@H]4CCCO4)CC3)n2)cc1 72143744 FDROUPLKBYZVQR-INIZCTEOSA-N 400.435 1.346 0 50 HDAA CCn1cc(NC(=O)c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)c(C(N)=O)n1 253430094 DPVDBPSYKYYCQK-UHFFFAOYSA-N 419.507 1.675 0 50 HDAA O=C(Nc1nccs1)c1ccc(S(=O)(=O)N2C[C@@H]3C[C@H]4C[C@H]3[C@H]2[C@@H]4O)cc1 408521053 GJXGDUPFBJYKJS-LZNONINNSA-N 405.501 1.785 0 50 HDAA COc1ccccc1-n1cc(CNS(=O)(=O)c2ccc(S(C)(=O)=O)cc2)cn1 670469357 HPWCOHNOPVYELI-UHFFFAOYSA-N 421.500 1.763 0 50 HDAA Cn1c(=O)oc2ccc(S(=O)(=O)N[C@@H]3CCCN(C(=O)c4ccco4)C3)cc21 828188852 CWZKRKLTKWRXRO-GFCCVEGCSA-N 405.432 1.308 0 50 HDAA C[C@H](C(=O)N1CCCN(S(=O)(=O)N2CCCC2)CC1)n1cnc2ccccc21 952964002 AUVQCOODWMNAPR-MRXNPFEDSA-N 405.524 1.472 0 50 HDAA O=C(Cc1cccnc1)N1C[C@@H]2CN(c3nccc(C(F)(F)F)n3)C[C@@]2(CO)C1 1772812816 RCRWGGBFVMOZEQ-RDTXWAMCSA-N 407.396 1.390 0 50 HDAA CC(=O)c1c(C)nn(CCC(=O)N2CCC3(CC2)NCC(C)(C)CNC3=O)c1C 1772816305 NCUUITUFGRYANO-UHFFFAOYSA-N 403.527 1.199 0 50 HDAA Cc1nc2ccc(Cc3nc([C@@H]4CCOC4)nn3-c3ccc4nncn4n3)cc2[nH]1 1857678637 ITHHTAFRRKDFFG-CQSZACIVSA-N 401.434 1.984 0 50 HDAA CCOC(=O)[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CCN(C(=O)c1cc(C)n(C)n1)C2 1857704541 WNZPCIKNMUKEQJ-JBYIUTFZSA-N 418.538 1.625 0 50 HDAA Cc1ccccc1[C@@H]1[C@@H](C(=O)NCc2ccccc2-n2cncn2)OCC(=O)N1C 1940197747 NVCKPRFOWZBORF-RTWAWAEBSA-N 405.458 1.790 0 50 HDAA Cc1ccccc1[C@@H]1[C@@H](C(=O)NCc2cccnc2-n2cncn2)OCC(=O)N1C 2100482192 FGEDVOSOHRPJCT-MOPGFXCFSA-N 406.446 1.185 0 50 HDAA O=C(NCc1nc(-c2ccccc2)n[nH]1)C(=O)NCc1nc(Cc2ccccc2)no1 2325721185 ZZEOEDMAPCHSCO-UHFFFAOYSA-N 417.429 1.378 0 50 HDAA COc1ccc(OC(=O)c2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)cc1 1230578 DRFPCYOMPCCESN-UHFFFAOYSA-N 407.444 1.944 0 50 HDAA CC(C)CN1CCC(CNC(=O)C[C@H]2C(=O)NCCN2Cc2ccccc2)CC1 11661894 DSQAFOJYJNVVQD-NRFANRHFSA-N 400.567 1.861 0 50 HDAA CC1CCN(Cc2nnnn2CC(=O)N2CCC[C@H](C(=O)c3cccnc3)C2)CC1 12200774 RHKDDXFHKYAGGL-SFHVURJKSA-N 411.510 1.422 0 50 HDAA CS(=O)(=O)N1CCC(Oc2cccc(C(=O)N3CCCC[C@@H]3CCO)c2)CC1 15070690 NFGFHGMPMKCOQB-QGZVFWFLSA-N 410.536 1.867 0 50 HDAA CC(C)N(Cc1nccn1C)C(=O)[C@@H]1CCC(=O)N(CCCN2CCOCC2)C1 15071501 OLGIJCITPOUYCM-GOSISDBHSA-N 405.543 1.118 0 50 HDAA COc1ccc(CC2=NO[C@H](C(=O)NC[C@H](c3cccnc3)N3CCOCC3)C2)cc1 19838886 VQTKVXPZZKDVSU-YADHBBJMSA-N 424.501 1.967 0 50 HDAA COc1cccc([C@H]2CCCN2C(=O)CCCn2nnnc2CN2CCOCC2)c1 23128931 MJYHWHWVCLNWAX-LJQANCHMSA-N 414.510 1.658 0 50 HDAA CC(C)(C)OC(=O)NCCCOCCOCCOCCCNC(=O)CCC(=O)O 45074618 RTHQDNQOODHVLK-UHFFFAOYSA-N 420.503 1.322 0 50 HDAA C[C@@H]1CCO[C@H]2Cn3cc(C(=O)NCc4ccc(F)cc4F)c(=O)c(O)c3C(=O)N21 58581064 RHWKPHLQXYSBKR-BMIGLBTASA-N 419.384 1.353 0 50 HDAA fda Cc1nc(CCN(C)C(=O)[C@H]2[C@@H]3C=C[C@@]4(CN(C5CCCCCC5)C(=O)[C@H]24)O3)no1 77357037 MGLGVEXPCNPTLC-FUOQNJDISA-N 414.506 1.884 0 50 HDAA CN1CCN(C[C@H](O)COc2ccc(CN3CC(N4CCCCC4)C3)cc2)CC1 95521978 VPEQCTFMMPIUPR-QFIPXVFZSA-N 402.583 1.344 0 50 HDAA COCCn1cc([C@@H]2[C@@H](C(=O)NCCCC(=O)OC)CC(=O)N2C(C)(C)C)cn1 252484502 FXTGLKTZZYJZBY-MAUKXSAKSA-N 408.499 1.287 0 50 HDAA COc1ccc(CCNC(=O)C[C@@H]2NC(=O)N(Cc3ccco3)C2=O)cc1OC 263585743 LYUYDZYBVGRERH-HNNXBMFYSA-N 401.419 1.466 0 50 HDAA biogenic CNc1cc(C)nc(NC[C@@H]2CN(CC3CCN(CC4CC4)CC3)C(=O)CO2)n1 299763149 PGTIHBPSRSCLAD-GOSISDBHSA-N 402.543 1.588 0 50 HDAA O=C(NCc1coc(-c2ccccc2)n1)C1CCN([C@H]2CCS(=O)(=O)C2)CC1 670470437 VBKPLAHDBBZBRK-SFHVURJKSA-N 403.504 1.857 0 50 HDAA O=C1O[C@H](c2ccccc2)Cc2cc(C(=O)N3CCO[C@@H](c4nn[nH]n4)C3)ccc21 732091598 KDHYVZDGVZTZIQ-ZWKOTPCHSA-N 405.414 1.868 0 50 HDAA CN(C)C(=O)OC1CCN(C(=O)CN2C(=O)N[C@]3(CCCC(C)(C)C3)C2=O)CC1 818694065 YGXBMCOKXCVFGA-FQEVSTJZSA-N 408.499 1.566 0 50 HDAA O=C(CC1=CSC2=NCCCN12)N1C[C@@H]2CN(Cc3ccccn3)C[C@@]2(CO)C1 1772814387 WHVAXSDYNJLKKR-KKSFZXQISA-N 413.547 1.374 0 50 HDAA O=C(O)c1cc2c(s1)CCOC21CCN(C(=O)c2n[nH]c3c2COCC3)CC1 1857689536 RVIBIJQCDSNEIW-UHFFFAOYSA-N 403.460 1.946 0 50 HDAA Cn1cc([C@H]2[C@H](CN3CCCCC3)OCCN2C(=O)CCCn2cccn2)cn1 1857715448 RWVADPUJYGKELJ-FPOVZHCZSA-N 400.527 1.851 0 50 HDAA CN=c1[nH]c(C(=O)N2CC(=O)N3[C@@H](C[C@H](C(=O)OC)[C@@H]3c3ccccc3)C2)cs1 1857730559 RHUDLAMZULTLAL-ZQIUZPCESA-N 414.487 1.194 0 50 HDAA COc1ccccc1[C@H](CNC(=O)C[C@]1(O)CCOC1)NC(=O)[C@@H]1CC[C@H](C)C1 1875345323 WDYJPXWAMINECC-QCMGHPBJSA-N 404.507 1.946 0 50 HDAA NC(=O)c1csc(C(=O)N2CC[C@@]3(CCN(C(=O)c4cccc5nn[nH]c45)C3)C2)c1 1875360206 BEAPFZJSYYSQRK-HXUWFJFHSA-N 424.486 1.497 0 50 HDAA CN[C@H](C(=O)N[C@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)OC)c1cnn(C)c1 2325851021 NFHOXQPIVFEFQD-CABCVRRESA-N 414.384 1.480 0 50 HDAA O=C(O)[C@@H]1CN(C(=O)CC2(c3ccon3)CS(=O)(=O)C2)C[C@H]1Cc1ccccc1 2325852110 UBCXLRROXDNYTQ-HZPDHXFCSA-N 418.471 1.133 0 50 HDAA CCCS(=O)(=O)N1CCN(C(=O)COc2ccc(Br)cc2)CC1 900090 PIYOWVWRDAXRAC-UHFFFAOYSA-N 405.314 1.712 0 50 HDAA Nn1c(SCCCCSc2nnc(C(F)(F)F)n2N)nnc1C(F)(F)F 1918363 UBFRSCQILXUYAA-UHFFFAOYSA-N 422.384 1.999 0 50 HDAA COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NCCCn2ccnc2C)c(F)c1 12299443 HPUHLYLUGVRUAI-IBGZPJMESA-N 417.485 1.236 0 50 HDAA O=C1N[C@H](Cc2ccc(O)cc2)C(=O)N2C[C@@H](NCc3nc4ccccc4s3)C[C@@H]12 14754490 FEEPALHTGJIHMH-QGTPRVQTSA-N 422.510 1.802 0 50 HDAA CCN1CCN(C(=O)CCC2CCN(C(=O)CCC3=NNC(=O)CC3)CC2)CC1 15074901 LSTZJGSMVFIFCD-UHFFFAOYSA-N 405.543 1.216 0 50 HDAA CN1CCN(S(=O)(=O)c2cc(Cl)ccc2OCC(=O)NC2CCCC2)CC1 16622235 SDKRAEUKWMVRQK-UHFFFAOYSA-N 415.943 1.714 0 50 HDAA CCOC(=O)c1cc(NC(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C(=O)O)cc(C(=O)OCC)c1 169295716 KFAGGKYAWMFPEC-FPCVCCKLSA-N 405.403 1.857 0 50 HDAA O=C(COc1ccc(I)cc1)N[C@@H](CO)Cc1cccnc1 170610144 VPILKYQUSUVQLM-CQSZACIVSA-N 412.227 1.785 0 50 HDAA CCCCn1c(=O)[nH]c(=O)c2c1nc(COC(=O)[C@@H](C(C)C)N(C)C)n2CCC 170622066 SJYAEMLDDZYCIG-OAHLLOKOSA-N 407.515 1.726 0 50 HDAA Cc1c(Br)c(C(=O)NN2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@H]3C2=O)nn1C 239306141 GLYFZMQSXUISGI-PYZHKEBXSA-N 405.252 1.189 0 50 HDAA C[C@@H]1[C@@H](N2C[C@H](C(=O)NCCc3ccc(S(N)(=O)=O)cc3)CC2=O)CCC[C@H]1C 248174877 YSYARCJLEUVVEF-GFIVTLFCSA-N 421.563 1.666 0 50 HDAA Cc1cn(CC(=O)N2CC[C@@]3(CCCN(CC4CCCCC4)C3=O)C2)c(=O)nc1O 426465389 AILDHPGRECGNMF-QFIPXVFZSA-N 416.522 1.679 0 50 HDAA C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cccc(C(=O)N[C@H]2CN(C3CC3)C[C@H]2C)n1 467720430 OBRFZKMFEPYPSE-RPQNVMPDSA-N 411.550 1.507 0 50 HDAA COc1ccccc1-n1cc(CNC(=O)CCN(C)[C@@H]2CCS(=O)(=O)C2)cn1 670464084 FOFYRMVAUVHFOG-MRXNPFEDSA-N 406.508 1.006 0 50 HDAA COc1ccc(S(=O)(=O)N2CCN(C(=O)CCN3CCCCCC3=O)CC2)cc1 824684255 KRRBTLLDXNYTFS-UHFFFAOYSA-N 423.535 1.321 0 50 HDAA CNC(=O)CCc1ccccc1NC(=O)C1CCN([C@@H]2CCS(=O)(=O)C2)CC1 952968801 PZXDNXWXQOHZTR-QGZVFWFLSA-N 407.536 1.203 0 50 HDAA CCc1nccn1CCC(=O)NC[C@H]1CCCN(C(=O)Cc2c(C)n[nH]c2C)C1 952975415 NIONANJXZCNDHD-QGZVFWFLSA-N 400.527 1.773 0 50 HDAA CS(=O)(=O)N1CCC[C@H]1C(=O)N1CCCN(c2nc3ccccc3s2)CC1 1506414877 IUBADIOUDCYGOQ-HNNXBMFYSA-N 408.549 1.759 0 50 HDAA O=C(CCc1cc(Cl)no1)N1C[C@@H]2CN(C(=O)c3cncc(F)c3)C[C@@]2(CO)C1 1772709842 NVEMKZJGOVBOBS-BFUOFWGJSA-N 422.844 1.388 0 50 HDAA CCNC(=O)N1CCC(OC)(C(=O)N2CCC([C@H](O)c3ccccn3)CC2)CC1 1857698568 YMZNOZHDXFGJMS-SFHVURJKSA-N 404.511 1.564 0 50 HDAA CCc1ncnc(N2CCO[C@@]3(C[C@@H]4CC[C@H](C3)N4CC(=O)N(C)CC)C2)c1F 1857722605 JLLZAJFNZPRYPG-JIPZTSHUSA-N 405.518 1.859 0 50 HDAA COC(=O)c1ccc(C(=O)OC)c(NS(=O)(=O)c2ccc3c(c2)OCCO3)c1 810355 PQJVSJFFYQFWTQ-UHFFFAOYSA-N 407.400 1.832 0 50 HDAA COCCN1C(=O)C[C@](CC(=O)N2C[C@H](C)O[C@H](C)C2)(c2ccccc2OC)C1=O 11909790 MXJWJGAFCOOFAJ-ZMPRRUGASA-N 418.490 1.364 0 50 HDAA Cc1ccccc1N1CCN([C@@H]2CCCN(C(=O)CCN3CCOCC3)C2)CC1 12305532 QKJHUDCEHICQFE-OAQYLSRUSA-N 400.567 1.830 0 50 HDAA CCCS(=O)(=O)c1ncc(CN(CC)CCn2cccn2)n1C[C@@H]1CCCO1 20905798 BAMLYHZFUFLADG-SFHVURJKSA-N 409.556 1.964 0 50 HDAA CCN1CCN(CCCN2CC3(CCN(c4ccnc(C)n4)CC3)OC2=O)CC1 77438314 SRCVOQIMXUBIHM-UHFFFAOYSA-N 402.543 1.604 0 50 HDAA COC(=O)c1cn(-c2cccc(NC(=O)N3CCN(c4nccs4)CC3)c2)nn1 225850687 GLHKHKGLDFZTLO-UHFFFAOYSA-N 413.463 1.865 0 50 HDAA CNC(=O)c1cc(O[C@H]2CCCN(C(=O)c3cnc4sccn4c3=O)C2)ccn1 328591823 PEMOPPIIBAKLJQ-ZDUSSCGKSA-N 413.459 1.194 0 50 HDAA CCC(CC)C(=O)Nc1cc2c(NCCOC)ncnc2n(CC(=O)OC)c1=O 390834803 AEMCZAYFZQSBFG-UHFFFAOYSA-N 405.455 1.398 0 50 HDAA Cc1nn(C)c(C)c1[C@H](C)NC(=O)NCc1cc2n(n1)CCN(C(=O)C(C)C)C2 534586391 FAJSACHAGDKWRG-ZDUSSCGKSA-N 401.515 1.792 0 50 HDAA Cn1nccc1C(=O)NC[C@H]1CCCN(Cc2cnc(N3CCOCC3)s2)C1 885939211 VRPCFRTWJQQWIP-OAHLLOKOSA-N 404.540 1.355 0 50 HDAA CN1CCC(Oc2ccc(NC(=O)CN3CCN(c4ncccn4)CC3)cc2)CC1 952962084 ACOGHWJWVZPNJK-UHFFFAOYSA-N 410.522 1.710 0 50 HDAA COCCN1C[C@H](CNS(=O)(=O)c2cc(Cl)c(OC)cc2Cl)CC1=O 1506395580 BUIPILNYCOLLJC-JTQLQIEISA-N 411.307 1.775 0 50 HDAA O[C@H]1CN(Cc2cnc(N3CCOCC3)nc2)C[C@H]1Cc1ccnc2ccccc12 1529189311 LLEXFUJIXZNYRH-KNQAVFIVSA-N 405.502 1.897 0 50 HDAA Cc1ncsc1CN1C[C@@H]2CN(C(=O)c3nnc4n3CCCCC4)C[C@]2(CO)C1 1772712928 VTCCJLVKPQEEGV-QRWLVFNGSA-N 416.551 1.336 0 50 HDAA Cc1cc(=O)c(O)c(C2(CC(=O)NCCCN3CCN(C)CC3)CCSCC2)o1 1776111244 IIIODFHPAZARKZ-UHFFFAOYSA-N 423.579 1.562 0 50 HDAA Cc1ccc2c(c1)C(=O)NCCN(Cc1nnc(C)s1)CCCC(=O)NCCO2 1857709715 NEYGXNFFUJQOKY-UHFFFAOYSA-N 417.535 1.676 0 50 HDAA COc1cc2nc(CN3CCC4(CC3)SCC(=O)N4C)nc(O)c2cc1OC 1875258760 CAXOJNUYEGCYQC-UHFFFAOYSA-N 404.492 1.850 0 50 HDAA CN(C)c1ccc(NC(=O)CNC(=O)c2cccc(OC(F)F)c2)c(C(N)=O)c1 1875261875 PQLJTYNYFNHJJX-UHFFFAOYSA-N 406.389 1.821 0 50 HDAA COC(=O)CNC(=O)[C@@H](c1ccccn1)N(C(=O)c1ccccc1)c1cnn(C)c1 2325827201 YZTPYQQXXLYREI-LJQANCHMSA-N 407.430 1.492 0 50 HDAA O=C(c1cc2c(s1)C1(CCNCC1)OCC2)N1C[C@@H](O)[C@H](Cc2cnccn2)C1 2356134416 LZIYXBJLIVQCCW-NVXWUHKLSA-N 414.531 1.365 0 50 HDAA COc1ccc(OC)c(S(=O)(=O)N2CCC(C(=O)NC[C@H]3CCCO3)CC2)c1 814575 RHZHEALCUWIPNX-MRXNPFEDSA-N 412.508 1.400 0 50 HDAA COc1cc(/C=C2/NC(=O)NC2=O)cc(I)c1OC(C)=O 1135566 UWNKRXGWVMXTQU-RUDMXATFSA-N 402.144 1.405 0 50 HDAA COCCNC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccc(OC)cc1 2298181 GFIOEZPVNFFFHK-UHFFFAOYSA-N 406.504 1.691 0 50 HDAA NC(=O)COc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCO)cc1 2866540 WGZZUSYWSDEDID-IBGZPJMESA-N 408.410 1.585 0 50 HDAA CCOc1cc(-c2nnn(CC(=O)O)n2)cc(I)c1OC 4784090 NTJDSJVJNYYGKG-UHFFFAOYSA-N 404.164 1.437 0 50 HDAA C[C@@H](NC(=O)COc1ccccc1)c1nnc2n1CCN(Cc1ccccn1)CC2 11791488 NAVBVHKHBZMKAJ-QGZVFWFLSA-N 406.490 1.988 0 50 HDAA CS(=O)(=O)Nc1ccc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 20419089 KCDLQYBKAVUUKA-UHFFFAOYSA-N 417.487 1.745 0 50 HDAA CN(C)S(=O)(=O)c1ccc(N2C[C@@H](C(=O)NCc3ccccn3)CC2=O)cc1 36360418 KADUEJSWJLWCCJ-AWEZNQCLSA-N 402.476 1.001 0 50 HDAA O=C(C1CCC(Cn2cnnn2)CC1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 40288098 RCTVNDUYUILEII-UHFFFAOYSA-N 412.494 1.553 0 50 HDAA CN(CCCn1cccn1)C(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(c4ccc(F)cc4)C(=O)[C@@H]13)O2 77422289 DOEXFNVXCJVUFY-JYLXEMOASA-N 410.449 1.857 0 50 HDAA Cc1ccc(CNS(=O)(=O)c2ccc3c(c2)CN(C(=O)Cn2cncn2)CC3)o1 77538446 ZHKRYQPNGNYFRI-UHFFFAOYSA-N 415.475 1.243 0 50 HDAA COCCCn1c(C(=O)NC(C)C)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 241897184 TWIWCTQTEOPKDJ-HUUCEWRRSA-N 424.546 1.802 0 50 HDAA COC(=O)[C@]12[C@@H]3[C@H]4[C@H]5[C@H]1C[C@@]1(CCC(=O)O1)[C@H]5[C@@]2(C(=O)OC)[C@H]4C[C@]31CCC(=O)O1 247849844 QWXPUVQBRLVSEZ-QCUJADCZSA-N 416.426 1.002 0 50 HDAA O=C(NS(=O)(=O)c1[nH]cc2c1CCS2(=O)=O)c1ccc(OC(F)(F)F)cc1 253415791 QUNNWSHDENWATO-UHFFFAOYSA-N 424.378 1.362 0 50 HDAA CC(C)Cn1ncnc1CN1CCC[C@H](n2ncc(N3CCN(C)CC3)cc2=O)C1 328604709 KYYAXPWSARGMON-SFHVURJKSA-N 414.558 1.080 0 50 HDAA Nc1c(O)nc(O)nc1C(=O)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 468396455 CMTUCJXRUZOQOI-UHFFFAOYSA-N 412.233 1.375 0 50 HDAA Cc1nc(Cn2nnc(C(=O)NCc3nn(-c4ccccc4)c4c3CCC4)c2C)no1 469126963 XLGDPNSIFBKMQH-UHFFFAOYSA-N 418.461 1.931 0 50 HDAA Cc1nnc(SCC(=O)N[C@H]2C3CN4CCN(C3)CC2(c2ccccc2)C4)s1 670439360 AYKFZTGCWOJLKQ-VDUSKEEQSA-N 415.588 1.622 0 50 HDAA CCSCC(=O)NC[C@H]1[C@H]2CN(C(=O)CN(C)C3CCCC3)C[C@]23CC[C@H]1O3 1857720007 ZVADQZMLLVHLRP-XKGFGPFHSA-N 409.596 1.736 0 50 HDAA O=C(CCc1nnc(-c2ccc(Cl)cc2)o1)Nc1nc(N2CCOCC2)n[nH]1 1875335207 WKJKJZOWPDZLRS-UHFFFAOYSA-N 403.830 1.916 0 50 HDAA CO[C@@H](C)c1nc(-c2cnc3cnn(C)c3c2)n(-c2ccc(S(N)(=O)=O)cc2)n1 1875348341 NVEFYYBUFJXOPZ-NSHDSACASA-N 413.463 1.571 0 50 HDAA C=CC(=O)N1CCC[C@H](C(=O)N(C)CC(=O)N2c3ccccc3NC(=O)C[C@H]2C)C1 1875371519 DPFZJQXYNBGWQE-CVEARBPZSA-N 412.490 1.633 0 50 HDAA O=C(CNc1cccc(-c2cn(C[C@@H](O)c3ccccc3)nn2)c1)N1CCOCC1 2325776724 PMWUTNVCQPLILY-OAQYLSRUSA-N 407.474 1.949 0 50 HDAA COC(=O)C1CCN(C[C@H](O)COc2ccc(CNCC3(C)COC3)cc2)CC1 11839428 IEWQTKPQBQXFDL-IBGZPJMESA-N 406.523 1.437 0 50 HDAA COC[C@H]1CCCN(Cc2ccc3c(c2)CN(C(=O)c2c[nH]c(=O)[nH]2)CCO3)C1 11963430 IRBNBUTUALRLRN-INIZCTEOSA-N 400.479 1.596 0 50 HDAA Cc1nc(CCNC(=O)C[C@@H]2C(=O)NCCN2Cc2ccc(F)cc2)sc1C 12093018 ZEMKYPRMBJNFBI-QGZVFWFLSA-N 404.511 1.948 0 50 HDAA COc1ccc(Cn2c(=O)c(CNC[C@@H](O)CO)cc3cc4c(cc32)CCC4)cc1 12126153 WRLXKDCOWZXXDM-OAQYLSRUSA-N 408.498 1.990 0 50 HDAA COc1cccc(CC2=NO[C@@H](C(=O)NC[C@@H](O)COc3cccc(OC)c3)C2)c1 14973901 WJQQPTLJINVQOT-DYESRHJHSA-N 414.458 1.947 0 50 HDAA O=c1cc(CN2C[C@H](O)[C@@H](N3CCN(c4ccccn4)CC3)C2)[nH]c2ccccc12 20271527 RJFWMUXBLLKDOV-UNMCSNQZSA-N 405.502 1.290 0 50 HDAA COc1ccc2cc(/C=C3/C(=O)NC(=S)N3C(C)=O)c(N3CCOCC3)nc2c1 100762587 DRTNIBPAZLIVHG-YVLHZVERSA-N 412.471 1.684 0 50 HDAA CCN(CC)[C@@H]1CC(=O)N(c2ccc(N3C(=O)C[C@@H](N(CC)CC)C3=O)cc2)C1=O 101596751 DCSAANTUNCFNMM-QZTJIDSGSA-N 414.506 1.634 0 50 HDAA O=C(COc1ccc2occ(C(=O)c3ccco3)c2c1)N[C@H]1CCS(=O)(=O)C1 170622132 VISMKJSOJPUQLY-LBPRGKRZSA-N 403.412 1.939 0 50 HDAA COc1ccc(CN2C(=O)N[C@H](CC(=O)NCCc3ccncc3)C2=O)cc1OC 206236264 AGPCCYVOPNJQEV-MRXNPFEDSA-N 412.446 1.268 0 50 HDAA O=C1NCCN(Cc2ccc(F)cc2)[C@@H]1CC(=O)N1CCC(c2nc[nH]n2)CC1 426573304 RQGRJPUXLAIDSO-QGZVFWFLSA-N 400.458 1.041 0 50 HDAA COc1ccc(CNC(=O)C2CCN(C(=O)CSc3nc(N)n[nH]3)CC2)cc1 1506397397 UWQOVSRFQXNWED-UHFFFAOYSA-N 404.496 1.043 0 50 HDAA Cn1c(=O)c(-c2nccn2CCS(=O)(=O)N2CCOCC2)cc2ccccc21 1857732061 AORJJIJUIGSTLO-UHFFFAOYSA-N 402.476 1.064 0 50 HDAA Cc1cc(N2CCN(C(=O)[C@@H]3CN(C)CC[C@H]3O)CC2)nc(-c2ccccc2O)n1 2100539770 XNPWLRBVPMQDEH-IEBWSBKVSA-N 411.506 1.119 0 50 HDAA C[C@H]1CN([C@H](C)CN=c2[nH]cc[nH]c2=NC[C@@H](C)N2C[C@H](C)O[C@H](C)C2)C[C@@H](C)O1 2325759545 GWZAPEQKGLUXCY-CPPNMTBBSA-N 420.602 1.140 0 50 HDAA O=C1CC[C@H](N2Cc3ccc(CNC(=O)OC[C@@H]4C[C@H]5CC[C@@H]54)cc3C2=O)C(=O)N1 2325900716 GZZAOCOZOITDFN-VKZRIFJHSA-N 411.458 1.720 0 50 HDAA CC(=O)SC[C@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O 3871462 FHHHOYXPRDYHEZ-JQFCIGGWSA-N 406.504 1.705 0 50 HDAA biogenic COC[C@@H](O)CNC(=O)C1CCN(c2nc(-c3ccccc3)nc3c2CCC3)CC1 12592165 WSJARZVXSVOBMO-SFHVURJKSA-N 410.518 1.972 0 50 HDAA COc1cc(C[C@H](C)N(C)CCn2cc(C(=O)N3CCSCC3)nn2)ccc1O 15069048 KGPHOYKHHDBCIN-HNNXBMFYSA-N 419.551 1.744 0 50 HDAA CS(=O)(=O)N1CCC(Oc2cccc(C(=O)N3CCCC[C@H]3CCO)c2)CC1 15070692 NFGFHGMPMKCOQB-KRWDZBQOSA-N 410.536 1.867 0 50 HDAA COCCn1c(C)cc(=O)c(C(=O)NCCCN2CCOCC2)c1CC1CCCC1 19335939 HSNJUXRDUYAAND-UHFFFAOYSA-N 419.566 1.988 0 50 HDAA CC(C)Cn1nc(C(=O)NC2CCCC2)c2c1CCN(CCN1CCOCC1)C2 19536724 BLTUCHLGXRQBCX-UHFFFAOYSA-N 403.571 1.902 0 50 HDAA Cc1nonc1C(=O)N1CCC[C@@H](N2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 19740812 GANIKSBFJPNXJJ-QGZVFWFLSA-N 413.478 1.529 0 50 HDAA O[C@H]1CN(Cc2cccc(-n3cccn3)c2)C[C@@H]1N1CCN(c2ccccn2)CC1 22892389 VDJKQHIHRAVHKB-VXKWHMMOSA-N 404.518 1.635 0 50 HDAA CC(C)(NC(=O)c1cccs1)C(=O)NC[C@@H](c1ccncc1)N1CCOCC1 55133859 MGDPHRAKAGYVQC-INIZCTEOSA-N 402.520 1.841 0 50 HDAA COc1cccc(CN2CCC(NS(C)(=O)=O)CC2)c1OCCn1ccnc1 63832958 YIYSHNGKNQSEJO-UHFFFAOYSA-N 408.524 1.484 0 50 HDAA CCCCN1CCN([C@H](C(=O)N(C)Cc2nnc(C)o2)c2ccccc2)C(=O)C1=O 77470759 HTJNNZIUXHTDJT-SFHVURJKSA-N 413.478 1.549 0 50 HDAA COC[C@@H](C)NC(=O)CN1CCCC[C@H]1CNC(=O)CCNC(=O)OC(C)(C)C 253369353 BKMDEKIWKFBFPQ-CVEARBPZSA-N 414.547 1.023 0 50 HDAA O=C(O)[C@@H]1CC[C@H](C(=O)N[C@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)O1 432091515 FYLRXFFOAQPBPV-XQQFMLRXSA-N 402.325 1.439 0 50 HDAA O=C(C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)N(Cc1cccc(O)c1)CC1CC1 734359137 YJVDTVHQFRUUHJ-MRXNPFEDSA-N 419.503 1.296 0 50 HDAA CNS(=O)(=O)CCNS(=O)(=O)c1cc(-c2cc(C(F)(F)F)on2)oc1C 1506398532 DAZVEKHWRCYBCI-UHFFFAOYSA-N 417.387 1.089 0 50 HDAA CN(C)C[C@]12CN(C(=O)CCc3ccsc3)C[C@@H]1CN(C(=O)Cn1cccn1)C2 1772708821 CIYRIEITFDDROE-WIYYLYMNSA-N 415.563 1.426 0 50 HDAA CNS(=O)(=O)CCNC(=O)[C@@H]1CCCN(c2nc3cc(Cl)ccc3o2)C1 1857722274 FOCJKMNCBHWASH-LLVKDONJSA-N 400.888 1.363 0 50 HDAA Cc1cc(C)n(CC(=O)N2CC[C@@]34O[C@H](c5ccccc5)CN3C(=O)C[C@@H]24)c(=O)n1 1857732459 RGKYZMWILBARLY-SVMVAKDDSA-N 408.458 1.161 0 50 HDAA C=CC(=O)N1CCC(C(=O)N2CCCN(C(=O)Cc3cccc(F)c3)CC2)CC1 1875365596 DXMKAMMYTGGKMX-UHFFFAOYSA-N 401.482 1.854 0 50 HDAA CN(C)C(=O)c1ccc2c(c1)N(C)[C@H](CC(=O)N1[C@H]3CC[C@@H]1C[C@@H](CO)C3)CO2 2100545238 KTETYSXILDYLSV-NRSFXHEJSA-N 401.507 1.738 0 50 HDAA CC(C)(C)N1CC[C@](F)(C(=O)N2CCNC(=O)[C@@H]2Cc2nc3ccccc3o2)C1 2325736003 ALZLGZCKCRVIPE-YCRPNKLZSA-N 402.470 1.910 0 50 HDAA CCc1nnc(NC(=O)[C@@H](C)[C@@H](C)NC(=O)N2CCc3c(O)nc(O)nc3C2)s1 2325850965 LZXHJFPVXWEAJZ-DTWKUNHWSA-N 421.483 1.033 0 50 HDAA O=C1CC[C@@H](N2Cc3c(NC(=O)C(=O)c4ccc(F)cc4)cccc3C2=O)C(=O)N1 2325895772 JGYBSXPMAVAVII-MRXNPFEDSA-N 409.373 1.408 0 50 HDAA COc1ccccc1N1CCN(C(=O)CN(Cc2ccccc2)S(C)(=O)=O)CC1 627807 KFBMJRJBORKZHS-UHFFFAOYSA-N 417.531 1.806 0 50 HDAA Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N3CCCCCC3)CC2)cc1 2882917 VFAKDEKXKYWHMK-UHFFFAOYSA-N 401.554 1.422 0 50 HDAA Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)[C@@H]3CC=CC[C@@H]3C(=O)O)CC2)c1 6741132 CULVBXDNGNCMOW-SJORKVTESA-N 406.504 1.803 0 50 HDAA O[C@H](c1cccnc1)C1CCN(c2nc3nonc3nc2N2CCSCC2)CC1 12448903 NPCFJZNUKDEHRG-HNNXBMFYSA-N 413.507 1.911 0 50 HDAA CC[C@H](C(=O)N1CCC(C(N)=O)CC1)N(c1ccc(Cl)cc1)S(C)(=O)=O 13714617 JTOAKRLREGRXBL-OAHLLOKOSA-N 401.916 1.609 0 50 HDAA COc1ccc([C@]2(CC(=O)N3CCNC(=O)C3)CC(=O)N(CCC(C)C)C2=O)cc1 14884798 VFEXUDXZEAASBW-QFIPXVFZSA-N 415.490 1.087 0 50 HDAA Cc1cnc(SCCN2CCOCC2)nc1[C@@H]1CCCN(C(=O)[C@H]2CCOC2)C1 14982751 VXPHWKJGZNHGBG-MSOLQXFVSA-N 420.579 1.952 0 50 HDAA O=S(=O)(c1ccccc1)N1CCN(C[C@@H](O)COc2ccc3c(c2)CCC3)CC1 19373656 PYLKDKVZEBKODU-HXUWFJFHSA-N 416.543 1.922 0 50 HDAA O=C([C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)N1CCN(CCO)CC1 19972550 JPEJPTBGIFIOSI-HXUWFJFHSA-N 407.470 1.030 0 50 HDAA O=C(CCCn1nnnc1CN1CCOCC1)N[C@@H](Cn1ccnc1)c1ccccc1 20450352 BFXVFQHWBMRZMU-IBGZPJMESA-N 424.509 1.040 0 50 HDAA COc1ccc(CNCCc2ccccn2)c(OC[C@@H](O)CN2CCN(C)CC2)c1 20782303 CACTYZMDZSAGRV-NRFANRHFSA-N 414.550 1.410 0 50 HDAA O=C(NCc1nnn[nH]1)[C@H]1CCCN(C2CCN(C3Cc4ccccc4C3)CC2)C1 91755865 WMUKPSGTVBXYOG-SFHVURJKSA-N 409.538 1.160 0 50 HDAA CCC(=O)NCC(=O)N[C@H]1CCN([C@@H](C(=O)OC(C)(C)C)c2ccccc2)C1=O 170608642 IIGAJAPAMDLMCS-MAUKXSAKSA-N 403.479 1.313 0 50 HDAA COc1ccc(Br)c(CN2CCN(CC(=O)N3CCOCC3)CC2)c1 225533098 VIYQHITYILBTAY-UHFFFAOYSA-N 412.328 1.434 0 50 HDAA COc1ccc(CCNC(=O)[C@@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@H]32)cc1 238881953 BOUFIJBMEBGOAP-FSNPWBFUSA-N 407.463 1.750 0 50 HDAA O=C(c1scnc1C1CC1)N1CCC[C@@H](n2ncc(N3CCOCC3)cc2=O)C1 328604252 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BSFSNTNGMGCUDI-KRWDZBQOSA-N 408.501 1.186 0 50 HDAA COc1ccc(C(=O)NCc2nnc(SCC(=O)Nc3nccs3)n2C)cc1 2861243 GAAREAJRHJVAOK-UHFFFAOYSA-N 418.504 1.941 0 50 HDAA COc1ccc(CCNC(=O)CN(C)S(=O)(=O)c2ccc(OC)c(C)c2)cc1 2878110 UQHJMWGHZYXUOA-UHFFFAOYSA-N 406.504 1.992 0 50 HDAA COc1cc(/C=c2/sc3nc4ccccc4n3c2=O)ccc1OCc1nnn[nH]1 2911895 ZGKJHKWLJZRVJA-CXUHLZMHSA-N 406.427 1.558 0 50 HDAA O=C([C@H]1CCCO1)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 6700417 YSYBKOPAGSWBIO-SNVBAGLBSA-N 409.327 1.523 0 50 HDAA O=C1NCCN(C2CCCC2)[C@@H]1CC(=O)N1CCN(C(=O)c2cccs2)CC1 11818304 OWAIQCWDBMIJBO-MRXNPFEDSA-N 404.536 1.166 0 50 HDAA CN(Cc1ccn[nH]1)C(=O)c1cccc(OC2CCN(S(=O)(=O)N(C)C)CC2)c1 11819079 DRUBCHJSLPCEID-UHFFFAOYSA-N 421.523 1.332 0 50 HDAA Cc1cnc(CNC(=O)c2cccc(OC3CCN(S(C)(=O)=O)CC3)c2)cn1 11955950 IBQLLUGBXPKGSG-UHFFFAOYSA-N 404.492 1.518 0 50 HDAA Cc1n[nH]c(SCCNC(=O)C[C@H]2C(=O)NCCN2CCCc2ccccc2)n1 11997022 YEYPUTJHAMPJMH-KRWDZBQOSA-N 416.551 1.145 0 50 HDAA CC(C)(C)CN1CCNC(=O)[C@@H]1CC(=O)N1CCCN(Cc2ccccn2)CC1 12320041 VLVIDWQMYGDVGR-IBGZPJMESA-N 401.555 1.353 0 50 HDAA COc1ccc(C(=O)NCCn2cc(C(=O)NCc3cccs3)nn2)c(OC)c1 14991355 XELMOIAXIGLWLO-UHFFFAOYSA-N 415.475 1.717 0 50 HDAA C[C@@H](Cc1cccnc1)NC(=O)c1coc(CN2CCN(c3ncccn3)CC2)n1 15078631 YZXQINGKQZGSJT-INIZCTEOSA-N 407.478 1.543 0 50 HDAA COc1cc(C)c(CN2CCc3nnc(CNC(=O)[C@H]4CCOC4)n3CC2)cc1C 19837673 UVDNRIVPKJUSNX-KRWDZBQOSA-N 413.522 1.615 0 50 HDAA COc1cccc(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N(C)Cc3ccon3)[C@@H]4C2=O)c1 77343211 QEOONVOPQFNLRY-JYLXEMOASA-N 409.442 1.624 0 50 HDAA CN1CCN([C@H]2CCN(C(=O)c3ccccc3N(C)C)C[C@H]2CCC(=O)O)CC1 95355838 POIQZHMYGUFMMV-MJGOQNOKSA-N 402.539 1.696 0 50 HDAA COCCOCCOCCOCCOCCOCCOCCC(=O)OC(C)(C)C 114840502 VRQOLQLYLAUIGV-UHFFFAOYSA-N 424.531 1.464 0 50 HDAA CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)Nc1nnc(-c2ccncc2)o1 170617423 UGSJHLUMZBFRHG-UHFFFAOYSA-N 409.449 1.183 0 50 HDAA CN(C[C@@H]1CCCN2CCCC[C@@H]12)C(=O)C[C@H]1NC(=O)N(Cc2ccco2)C1=O 409413878 FUCAKXSWTSBMKR-JQHSSLGASA-N 402.495 1.813 0 50 HDAA Cc1oc(-c2cc(C(F)(F)F)n[nH]2)cc1S(=O)(=O)N1CCN(C)C(=O)[C@H]1C 952966559 XDXYYYKCDWLVQU-MRVPVSSYSA-N 406.386 1.848 0 50 HDAA CSCC(=O)N1C[C@@H]2CN(C(=O)CCc3n[nH]c(C)c3C)C[C@@]2(CN(C)C)C1 1772701715 OZZBSXMSXNIFPX-JXFKEZNVSA-N 407.584 1.171 0 50 HDAA Cc1cc(S(=O)(=O)N2CC[C@@]34O[C@H](c5ccccc5)CN3C(=O)C[C@@H]24)n(C)n1 1857717508 WMSPMMFGMGGKPL-FCEWJHQRSA-N 402.476 1.192 0 50 HDAA CCc1noc(CNC(=O)[C@H]2CC(=O)N(c3nnc(Cc4ccccc4)s3)C2)n1 1857728416 APHJPODWRHXKED-ZDUSSCGKSA-N 412.475 1.744 0 50 HDAA O=C(N[C@H](CO)c1cc(F)c(F)c(F)c1)[C@@H](O)[C@@H](O)c1nc2ccccc2s1 1875258155 GLJIKKUAIPCYPQ-UHOFOFEASA-N 412.389 1.958 0 50 HDAA O=C(O)CN1CCN(C(=O)[C@H](Cc2cn(CCc3ccccc3)nn2)C2CC2)CC1 1875326512 JNRHNNPAWPPOGF-HXUWFJFHSA-N 411.506 1.318 0 50 HDAA CN1CCc2[nH]nc(C(=O)N3CCCCN4CCCC[C@@H]4CC(=O)NCCC3)c2C1 2100533743 YCIBWNMAXJJHGI-QGZVFWFLSA-N 416.570 1.385 0 50 HDAA NCC1(c2nocc2C(=O)NS(=O)(=O)c2ccccc2Br)CC1 2325825404 OVBDIPOERZSNTG-UHFFFAOYSA-N 400.254 1.546 0 50 HDAA CN(C)c1ncc2c(n1)[C@]1(CCCN(C(=O)c3cnc4ccccn4c3=O)C1)CC2 2356134479 OWJFLPJIZOTTFR-JOCHJYFZSA-N 404.474 1.671 0 50 HDAA Cn1c(=O)c2c(nc(Cl)n2CC(=O)c2ccc(Br)cc2)n(C)c1=O 623310 GLOBIEUUXYETLQ-UHFFFAOYSA-N 411.643 1.733 0 50 HDAA CSC[C@@H](C)N1CCC2(CC1)C(=O)N(CC(N)=O)C(=O)N2CCc1ccccc1 14743357 CDGIZOSMWGLYNB-MRXNPFEDSA-N 418.563 1.565 0 50 HDAA COC(=O)c1ccc(CN2CCc3nnc(CCNC(=O)c4ccoc4)n3CC2)cc1 20598706 AXBNJCWYCSCNKG-UHFFFAOYSA-N 423.473 1.689 0 50 HDAA CCOC(=O)CC1(NC(=O)C[C@@H]2C(=O)NCCN2Cc2ccoc2)CCCCC1 39518770 RPDJPOYMBDOHBA-QGZVFWFLSA-N 405.495 1.742 0 50 HDAA C[C@H]1C[C@H](C)CN(CCCNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)C1 65361788 ULXHTEHURYMBSN-ROUUACIJSA-N 423.579 1.805 0 50 HDAA CN(Cc1ccncn1)C(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(Cc4ccc(F)cc4)C(=O)[C@H]13)O2 77343966 OVKOUPPOLUWFKJ-WEMPKCCASA-N 408.433 1.556 0 50 HDAA O=C([C@H]1[C@@H]2C=C[C@@]3(CN(Cc4cccnc4)C(=O)[C@H]13)O2)N1CC(Oc2ccccc2)C1 77485427 UPUWHCJZIYVYAU-CIEVZJJWSA-N 417.465 1.653 0 50 HDAA CC(C)(C)c1oc(C(N)=O)cc1CN1CC[C@@H](NC(=O)c2ccccn2)[C@H](O)C1 77488897 QUXHULIIIHQEHQ-GDBMZVCRSA-N 400.479 1.436 0 50 HDAA Cc1ccc(N2C[C@]34C=C[C@H](O3)[C@H](C(=O)N(C)Cc3cnn(C)c3)[C@H]4C2=O)cc1C 77516482 XQIZPAQPDCRTDL-MXBUBSDBSA-N 406.486 1.982 0 50 HDAA O=C([C@@H]1CCCN(C2CCN(Cc3ccc4c(c3)OCO4)CC2)C1)N1CCOCC1 82121712 YMWZJKIWAYSMKF-LJQANCHMSA-N 415.534 1.951 0 50 HDAA CNc1nc(N2CC[C@H](N3CCN(C)CC3)[C@H](CCC(=O)O)C2)nc2c1CCC2 95370694 AKQCZJVINSZZPU-QAPCUYQASA-N 402.543 1.314 0 50 HDAA COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)[C@@H](C)N1CCCCC1)CC2 95500904 CEDBGHKEAQOSIV-MRXNPFEDSA-N 403.527 1.133 0 50 HDAA O=C(/C=C/c1ccccc1)N1CCN(CCN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)CC1 100586824 MNSVLHIUWLCFEO-UNAJIGHNSA-N 405.498 1.651 0 50 HDAA COC(=O)[C@@H](CC(C)C)NC(=O)CCn1cnc2cc(OC)c(OC)cc2c1=O 213098159 AJYNFYUKZVHSGQ-OAHLLOKOSA-N 405.451 1.508 0 50 HDAA COc1cccc(N2CCN(C(=O)CC[C@]3(CCC(=O)O)CCC(=O)N3)CC2)c1 222401393 GBQSRQKGXAJKGP-NRFANRHFSA-N 403.479 1.638 0 50 HDAA CC(=O)OC(OC(C)=O)[C@@]12C=C[C@@H](O1)[C@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@H]12 239038727 DUECSTKKGGSZIQ-CUYVQJCZSA-N 405.790 1.605 0 50 HDAA O=C1Nc2ccccc2[C@@H]1CCC(=O)N1CCCN(S(=O)(=O)N2CCCC2)CC1 952963915 LTKOFCHWAXLCQN-KRWDZBQOSA-N 420.535 1.377 0 50 HDAA CCC(=O)N1CCC(C(=O)N2CCO[C@H](CO)[C@H]2c2ccc(OC)c(OC)c2)CC1 1529180681 IBLWGLOOMDOFNL-TZIWHRDSSA-N 420.506 1.613 0 50 HDAA CC1(C)CNC(=O)C2(CCN(C(=O)[C@@H]3CC(=O)Nc4ccc(F)cc43)CC2)NC1 1772804608 BEJHIMPRFLVLEO-OAHLLOKOSA-N 402.470 1.358 0 50 HDAA NC(=O)CN1CCO[C@@]2(CCN(Cc3cnc4c(-c5ccccc5)cnn4c3)C2)C1 1857687332 SGKZEIYIOYTFRA-JOCHJYFZSA-N 406.490 1.158 0 50 HDAA Nc1cccc(C(=O)N2CCC[C@@](O)(CN3CCOc4ccc(CO)cc4C3)C2)n1 1857719566 OREPHARNHBMIDM-JOCHJYFZSA-N 412.490 1.018 0 50 HDAA CC[C@H]1[C@@H](C(=O)OC)C[C@H]2CN(C(=O)c3cc(-c4ccccc4O)[nH]n3)CC(=O)N21 1857727854 CJIBVOBIOIIWOO-JDFRZJQESA-N 412.446 1.407 0 50 HDAA CC1CCN(C(=O)COc2ccc(CN3CCO[C@@H](c4nn[nH]n4)C3)cc2)CC1 2100534618 QAUVFEJSSMLCJK-GOSISDBHSA-N 400.483 1.411 0 50 HDAA COc1ccc(OC)c(S(=O)(=O)N2CCC(C(=O)NCc3ccccn3)CC2)c1 814577 YULCVJNUNAABGJ-UHFFFAOYSA-N 419.503 1.816 0 50 HDAA CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)N(C)CC(=O)Nc1cccc(C)n1 6902254 WRSJLPHPWXRUQB-UHFFFAOYSA-N 408.480 1.771 0 50 HDAA COCCCn1c(CN(C)C[C@@H]2COc3ccccc3O2)cnc1S(C)(=O)=O 19229279 JHJJQFBQHMPNEG-MRXNPFEDSA-N 409.508 1.595 0 50 HDAA O=C(c1cnsn1)N1CCC[C@H](N2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 23375458 ZIUSGKHANDYTCM-INIZCTEOSA-N 415.519 1.689 0 50 HDAA Cc1cc(C)nc(N2CCC(N3CCC[C@H](C(=O)N4CCN(C)CC4)C3)CC2)n1 71774502 YOLDMZREVXJBRB-IBGZPJMESA-N 400.571 1.548 0 50 HDAA O=C(NCc1ccccn1)[C@H]1CCCN(C2CCN(C(=O)c3cnccn3)CC2)C1 82155699 REEYTYWEOIBRID-KRWDZBQOSA-N 408.506 1.505 0 50 HDAA O=C(NCc1cccnc1)[C@@H]1[C@@H]2C(=O)N(Cc3ccc4c(c3)OCO4)C[C@@]23C=C[C@H]1O3 252346938 KPXAOELHTHDUFL-JWRIFHQMSA-N 419.437 1.409 0 50 HDAA CC[C@H](C)[C@@H](CO)NC(=O)C[C@@H]1N=C(O)N(CCc2c[nH]c3ccccc23)C1=O 252533144 FZAYBNVCBWTPQM-DOPJRALCSA-N 400.479 1.749 0 50 HDAA COC(=O)[C@H]1C[C@H]2CN(C(=O)c3n[nH]c4c3CCCC4)CC(=O)N2[C@H]1c1ccccc1 1857728392 ZLMHXKCXAFAKOH-WJPUGNRLSA-N 422.485 1.876 0 50 HDAA Cc1ccc(CNC(=O)c2coc(S(=O)(=O)NC(=O)C3CCN(C)CC3)c2)cc1 1875327345 WCMHCTGCTKMIQP-UHFFFAOYSA-N 419.503 1.665 0 50 HDAA Cc1cn2c(C(=O)NC[C@H]3C=C[C@@H](NC(=O)[C@](C)(O)C(F)(F)F)C3)cnc2s1 2325876906 DUHCIHRPDLQLHI-USBNGQNGSA-N 416.425 1.808 0 50 HDAA O=C(N[C@H]1CCCOC12CCNCC2)c1cc2c(s1)C1(CCNCC1)OCC2 2356142417 QYGUCBCQXKXGGA-KRWDZBQOSA-N 405.564 1.931 0 50 HDAA CCC(=O)N(Cc1ccc(S(N)(=O)=O)cc1)[C@@H]1CC(=O)N(c2ccccc2)C1=O 842636 XZMDFIRWEUHJEL-QGZVFWFLSA-N 415.471 1.405 0 50 HDAA CCn1cc(NC(=O)c2c(Br)c(C(F)(F)F)nn2C)c(C(N)=O)n1 2782499 OOILMKVSWVYWTG-UHFFFAOYSA-N 409.166 1.769 0 50 HDAA O=C(CCNS(=O)(=O)c1ccc(Cl)cc1)N1CCN(c2ccccn2)CC1 4487752 VTOBTPOPIIOGAQ-UHFFFAOYSA-N 408.911 1.752 0 50 HDAA CCCCN1CCN([C@@H](C(=O)N2CCC(OC)CC2)c2ccccc2)C(=O)C1=O 77378903 NIQYRTJVLDGMFI-LJQANCHMSA-N 401.507 1.836 0 50 HDAA CCc1ccc(CN(C)C(=O)[C@@H]2[C@@H]3C=C[C@@]4(CN(Cc5cccnc5)C(=O)[C@@H]24)O3)nc1 77470775 AXKRRPJOHHMJAZ-BLRYILKCSA-N 418.497 1.980 0 50 HDAA CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)N(CC(=O)N2CCCC2)C[C@H]2CCCO2)C1 252676558 XKVZVFIOSMHQPC-IPMKNSEASA-N 407.555 1.901 0 50 HDAA O=C(CN1CCC(N2C[C@@H](COc3ccc(F)cc3)OCC2=O)CC1)NC1CC1 299782090 FMNTUEUZMCCVBL-IBGZPJMESA-N 405.470 1.175 0 50 HDAA Cc1cc(C(=O)Cn2nnnc2C2(O)CCOCC2)c(C)n1NC(=O)c1ccccc1 408516108 PCHGTXZNYVWHGR-UHFFFAOYSA-N 424.461 1.356 0 50 HDAA Cc1c(C(=O)N2CCN(C(=O)OCc3ccccc3)CC2)cnn1-c1ccc(O)nn1 746967618 YCHONJSLOZNWKT-UHFFFAOYSA-N 422.445 1.771 0 50 HDAA Cc1cccc(N(CC(=O)N[C@H]2COC[C@H]2Cc2ccncc2)S(C)(=O)=O)c1 1704280594 NLRWUOGPOOWPKS-MJGOQNOKSA-N 403.504 1.530 0 50 HDAA O=C(NCc1cccnc1-n1cncn1)c1cc2c(s1)C1(CCNCC1)OCC2 1857684321 IPBHSQFCJXODBQ-UHFFFAOYSA-N 410.503 1.805 0 50 HDAA Cn1nccc1C(=O)N1CCC(N2C[C@@H](COc3ccc(F)cc3)OCC2=O)CC1 1857698364 NNVBANPAWILJCZ-SFHVURJKSA-N 416.453 1.470 0 50 HDAA CCc1nnc(N2C[C@H](C(=O)NCCNC(=O)c3ccc(F)cc3)CC2=O)s1 1857719272 HYADWIOTBMVMQS-GFCCVEGCSA-N 405.455 1.139 0 50 HDAA COC(=O)[C@@H]1C[C@@H]1C(=O)N[C@H]1CC[C@@H](N(C)C(=O)C[C@@H]2CSCCS2)CC1 1875356588 ROADRSYOBYXJNS-DGADGQDISA-N 414.593 1.920 0 50 HDAA COc1cc(CN2CC[C@@H](NC(=O)N[C@H]3CCN(C4CC4)C3=O)C2)cc(OC)c1 2325706635 SZYXCDRGXXAZNK-BEFAXECRSA-N 402.495 1.341 0 50 HDAA Cc1nn(C)c(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2COc3ccccc3O2)c1Cl 2325830079 ZVLXERRZTHZDLT-HEHGZKQESA-N 416.865 1.647 0 50 HDAA O=C(Cn1nc(O)c2ccccc2c1=O)N(CCOCCO)CCc1ccccc1 2325864759 ZEVJRIKUKRCHIH-UHFFFAOYSA-N 411.458 1.182 0 50 HDAA COc1ccccc1N1CCN(S(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)CC1 814678 UWGRUXNLCPMKBK-UHFFFAOYSA-N 416.503 1.397 0 50 HDAA CC(C)CN1C[C@@H](OCc2ccccc2F)CN(C(=O)[C@@H]2CNC(=O)C2)CC1=O 14752522 USAUWPCLKOKBAA-DLBZAZTESA-N 405.470 1.174 0 50 HDAA COc1ccc(C(=O)N2C[C@H](O)[C@@H](N3CCN(Cc4csc(C)n4)CC3)C2)cc1 19225082 XIGHWQAKCPCDNR-PMACEKPBSA-N 416.547 1.463 0 50 HDAA Cc1cc(CNC(=O)C[C@H]2C(=O)NCCN2Cc2ccc(Cl)c(F)c2)nn1C 19771403 RFBUFOWXSHVALO-KRWDZBQOSA-N 407.877 1.528 0 50 HDAA CCn1cc(CN2CCN(C(=O)c3c(Br)c(C)nn3C)CC2)c(C)n1 20028517 UKBUOBZUXZFFPR-UHFFFAOYSA-N 409.332 1.974 0 50 HDAA OCCN(CCO)Cc1ccc(OC[C@H](O)CN2CCc3ccccc3C2)cc1 20515474 GBXSCAXCOMKNAT-JOCHJYFZSA-N 400.519 1.271 0 50 HDAA COc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3ccccc3F)CC2)cc1 35889292 QBAZRGWJZAVPHA-UHFFFAOYSA-N 407.467 1.779 0 50 HDAA Cc1nc(NCCNS(=O)(=O)c2ccc(Cl)cc2)cc(N2CCOCC2)n1 65362962 NFQBUCSLBRKBIV-UHFFFAOYSA-N 411.915 1.665 0 50 HDAA COc1ccc(CN(C)Cc2ncc[nH]2)cc1OC[C@@H](O)CN1CCN(C)CC1 95518857 AFHOOVQBRPSZCE-SFHVURJKSA-N 403.527 1.037 0 50 HDAA CC(C)NC(=O)c1nnc(N2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)n1C 253398419 VKZNGQCHRYGVGN-UHFFFAOYSA-N 409.494 1.326 0 50 HDAA COCCN1CCN(C(=O)c2cnn(-c3nccc(-c4ccc(C)o4)n3)c2C)CC1 299783206 ZFNLRYBCNFMSPA-UHFFFAOYSA-N 410.478 1.943 0 50 HDAA CS(=O)(=O)NCC(=O)N1CC[C@]2(CCCN(CCCc3ccccc3)C2=O)C1 426690796 ZQJRAMPYGYNJMQ-HXUWFJFHSA-N 407.536 1.010 0 50 HDAA O=C1CN(CC(=O)N2CCC[C@@]3(CCc4cnc(-c5ccccc5)nc43)C2)C(=O)N1 1704300872 AMEXVRSZSXFWAP-JOCHJYFZSA-N 405.458 1.502 0 50 HDAA COCCNc1nc2cc(C(=O)N3CCN(C)C4(CCOCC4)C3)ccc2n1C 1800408079 AOJNCQZLSUBXRX-UHFFFAOYSA-N 401.511 1.568 0 50 HDAA O=C1CN(C(=O)C2CCOCC2)CCCNC(=O)c2cc(Cl)ccc2OCCN1 1857688807 RROXLEIYZWPZKJ-UHFFFAOYSA-N 423.897 1.224 0 50 HDAA CC(C)(C)[C@H]1C[C@H](NC(=O)C(=O)Nc2ccccc2OCC(=O)N2CCOCC2)C1 2325862721 FRDFYTGEIRAWAZ-WKILWMFISA-N 417.506 1.804 0 50 HDAA CCCOc1ccc(N2C(=O)C[C@H](NCc3ccc(S(N)(=O)=O)cc3)C2=O)cc1 2433199 HAQDQEDHWVVODD-SFHVURJKSA-N 417.487 1.545 0 50 HDAA CCn1cc(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3ccnn3CC)C2)c(C)n1 2807948 OISZEXXAMXDPGI-OAHLLOKOSA-N 408.528 1.145 0 50 HDAA COc1ccc(-n2nnnc2SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 2886051 MERURNWYNGZDHL-UHFFFAOYSA-N 420.476 1.049 0 50 HDAA CCOc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccc3c(c2)OCO3)cc1 4502919 FKSFUZALEOHOJE-UHFFFAOYSA-N 406.460 1.751 0 50 HDAA CCOC(=O)N1CCN(S(=O)(=O)c2ccc(NC(=O)N3CCCC3)cc2)CC1 6702506 MOTUJGFROKUDAZ-UHFFFAOYSA-N 410.496 1.777 0 50 HDAA COC(=O)[C@H]1CCCCN1C(=O)CSc1ccc2nnc(-c3cccnc3)n2n1 11963158 JGASIRRONJYGJA-CQSZACIVSA-N 412.475 1.833 0 50 HDAA CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)N(C)c3ccccc3)c2)CC1 12379411 BPXVGBLIKIBFPV-UHFFFAOYSA-N 401.488 1.816 0 50 HDAA Cc1nccn1CC[C@H]1CCCCN1C(=O)c1cn(CCN2CCOCC2)nn1 12429788 XNWLVEZYXUJDOW-GOSISDBHSA-N 401.515 1.200 0 50 HDAA Cc1cc(S(=O)(=O)Nc2ccccc2)ccc1OCC(=O)N1CCN(C)CC1 19828681 PWDYPMSGAKVAEM-UHFFFAOYSA-N 403.504 1.949 0 50 HDAA CC1(C)O[C@@H]2[C@@H](CO)O[C@@H](n3cnc4c(NC(=O)c5ccccc5)ncnc43)[C@@H]2O1 44171395 LJKIYWGWKVYJHS-QEPJRFBGSA-N 411.418 1.488 0 50 HDAA CC(=O)N1CCc2c(nc(C)nc2N2CCCN(CCCN3CCCC3)CC2)C1 71738568 IYOJGEVYKVEROV-UHFFFAOYSA-N 400.571 1.688 0 50 HDAA Cc1ccc(N2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N(C)Cc3cnn(C)c3)[C@H]4C2=O)cc1C 77516488 XQIZPAQPDCRTDL-SRYPRDQNSA-N 406.486 1.982 0 50 HDAA CCOC(=O)CN1C(=O)[C@H]2[C@@H]3C[C@@H]([C@@H]4Sc5[nH]c(=O)sc5C(C)(C)[C@H]34)[C@H]2C1=O 238900297 IQJBRHZBQAQOMB-GPLPTQPASA-N 422.528 1.619 0 50 HDAA O=C1CC[C@@H](CN(Cc2cccnc2)S(=O)(=O)c2ccc3oc(=O)ccc3c2)N1 952861241 YOWCRKFMXCKRPX-INIZCTEOSA-N 413.455 1.658 0 50 HDAA Cc1cc(C(C)(C)C)cc(S(=O)(=O)N[C@H]2COC[C@@H]2N2CCN(C)CC2)c1C 1506396170 IPSFWAZGAUZWGL-OALUTQOASA-N 409.596 1.894 0 50 HDAA CNc1ncccc1C(=O)N1C[C@H]2CN(CCn3cc(Cl)cn3)C[C@@]2(CO)C1 1772711058 VQIHXXLVMYGCRE-KUHUBIRLSA-N 404.902 1.040 0 50 HDAA O=C(Cc1ccccc1F)NC[C@H]1CN(CC2CCN(CC3CC3)CC2)C(=O)CO1 1857691186 ZEQMXXMMZFEQMP-FQEVSTJZSA-N 417.525 1.834 0 50 HDAA CCCCOCC(=O)N1CCC2(CCc3c(O)nc(N4CCOCC4)nc32)CC1 1857724564 HUZVQMZXYPVJQT-UHFFFAOYSA-N 404.511 1.642 0 50 HDAA Cn1c2c(c(=O)n(C)c1=O)C(C(F)(F)F)(C(F)(F)F)N=C(c1ccncc1)N2 4167295 QJYHNKCBZSBCFI-UHFFFAOYSA-N 407.274 1.671 0 50 HDAA O=C1C[C@H](C(=O)N2CCN(C(=O)c3ccco3)CC2)CN1CCc1ccc(F)cc1 4976177 MCNFOAXIRAKWKU-KRWDZBQOSA-N 413.449 1.794 0 50 HDAA COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)N(C)Cc2cc(C)no2)c(C)c1C 12073272 WWDXKNUXPQPSIM-IBGZPJMESA-N 414.506 1.958 0 50 HDAA O=C(NCCc1nnc2n1CCN(Cc1cc3ccccc3o1)CC2)[C@@H]1CCCO1 14993038 LJSYKVGLNGICRE-IBGZPJMESA-N 409.490 1.920 0 50 HDAA COc1cccc(CNCC2(O)CCCCC2)c1OC[C@H](O)CN1CCOCC1 15063556 NCFFMAPQVMFNRF-LJQANCHMSA-N 408.539 1.552 0 50 HDAA CC(C)(CNC(=O)COC(=O)Cc1ccc(OC(F)F)cc1)N1CCOCC1 170620893 YLYAGZBIVBMEQZ-UHFFFAOYSA-N 400.422 1.601 0 50 HDAA Cc1cn2nnc(C(=O)N3CCC(C(=O)NCCc4cccs4)CC3)c2c(O)n1 263619583 ZJFBKDMWJWQAQU-UHFFFAOYSA-N 414.491 1.411 0 50 HDAA COc1cncc(C(=O)Nc2cccc(S(=O)(=O)N3CCCN(C)CC3)c2)n1 480169542 HPVQWWMIJKQTPF-UHFFFAOYSA-N 405.480 1.064 0 50 HDAA C[C@H]1CN(C(=O)Nc2ccc(N3CCN(S(C)(=O)=O)CC3)nc2)CCC1(F)F 685530079 KKALRRXCEDWLEB-ZDUSSCGKSA-N 417.482 1.672 0 50 HDAA CCN1CCN(C(=O)[C@]2(CC)C[C@@H]3CC[C@H]2N3C(=O)CCn2ccc(C)n2)CC1 1857679204 HOIKPKYFWWRQGO-NNMXDRDESA-N 401.555 1.905 0 50 HDAA CS(=O)(=O)NCC(=O)N1CCCOc2cccc(c2)CC[C@@H]2CCCCN2CC1 1857706555 LCODDJXKWSHPSL-IBGZPJMESA-N 423.579 1.634 0 50 HDAA COC(=O)N1CCN(C[C@]2(O)CCCN(C(=O)c3ccc4c(c3)CCCO4)C2)CC1 1857728090 NDSGZUACRMEDHQ-JOCHJYFZSA-N 417.506 1.363 0 50 HDAA O=C1NCCCN(CC2CC2)CCN2C(=O)[C@@]3(c4ccccc42)[C@@H]1C[C@@H]1CCCN13 1875240639 FQYKCASQIVBNLJ-MFSJNOQSSA-N 408.546 1.945 0 50 HDAA COc1ccccc1[C@H](CNC(=O)C[C@]1(O)CCOC1)NC(=O)[C@@H]1CC[C@@H](C)C1 1875345322 WDYJPXWAMINECC-DYXSILKMSA-N 404.507 1.946 0 50 HDAA COc1ccc([C@H]2NC(=O)CO[C@@H]2C(=O)NCc2cn3cccc(C)c3n2)cc1OC 1940194920 CKGKHBDZQMAPIY-UXHICEINSA-N 424.457 1.532 0 50 HDAA O=C(NCc1nc(CO)n[nH]1)Nc1cccc(C(=O)Nc2ccc(Cl)cn2)c1 2325850413 XNKNDWBULKHLLG-UHFFFAOYSA-N 401.814 1.919 0 50 HDAA C=CC(=O)N(C)c1ccc(C(=O)N2CCC(S(=O)(=O)N3CCCC3)CC2)cc1 2325889986 MPMXGOWFTKQKBX-UHFFFAOYSA-N 405.520 1.866 0 50 HDAA CCOC(=O)C[C@@H]1COCCN1C(=O)c1cn(Cc2ccc(F)cc2Cl)nn1 11703271 HSFPLAVLWOMZKB-CQSZACIVSA-N 410.833 1.913 0 50 HDAA COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)N(C)Cc2ccno2)c(OC)c1 19812869 KVCTZXJHZIKRBD-QGZVFWFLSA-N 402.451 1.041 0 50 HDAA CCOC(=O)N1CCN(Cc2cccc(OC[C@H](O)CN3CCOCC3)c2)CC1 20539567 BVVLFYQNWSXEII-LJQANCHMSA-N 407.511 1.033 0 50 HDAA COc1ccc(S(=O)(=O)N2CCN(c3cc(N4CCCCC4)ncn3)CC2)cc1 38530909 ZHHRCNOUWVNRQS-UHFFFAOYSA-N 417.535 1.986 0 50 HDAA COc1cc(N2CCC(N3CCC[C@H](C(=O)NCc4ccccn4)C3)CC2)ncn1 82147104 NIWDRYVSFDNCAX-KRWDZBQOSA-N 410.522 1.877 0 50 HDAA CC(=O)NCCNC(=O)[C@H]1CCCN(C2CCN(C3Cc4ccccc4C3)CC2)C1 91321313 DRHJLCHJHJYBJR-NRFANRHFSA-N 412.578 1.583 0 50 HDAA O=C(Nc1cccc(S(=O)(=O)N2C[C@@H]3C[C@H]4C[C@H]3[C@H]2[C@H]4O)c1)c1cncs1 408521116 JACRXSFHEUUYOJ-RJEFMMBLSA-N 405.501 1.785 0 50 HDAA O=C(CN1C(=O)COc2ccc(Cl)cc21)N1CCn2c(nnc2C(F)(F)F)C1 739817789 WYHVUXWKBWYYKT-UHFFFAOYSA-N 415.759 1.718 0 50 HDAA CCCN1C[C@]23C=C[C@H](O2)[C@H](C(=O)Nc2cc(NC(=O)COC)ccc2C)[C@@H]3C1=O 822925624 WRXSGCWUBNSCCY-UYZIEWPDSA-N 413.474 1.710 0 50 HDAA CN1C(=O)[C@@H](CC(=O)Nc2ccc(NC(=O)CN3CCCCC3)cc2)N(C)C1=O 828052378 WWEWXJSJJAEEBQ-MRXNPFEDSA-N 401.467 1.332 0 50 HDAA Cc1cc(O)nc2ccc(S(=O)(=O)N3CCCN(CC(=O)N(C)C)CC3)cc12 952972891 HGDVBRQHXKZKRN-UHFFFAOYSA-N 406.508 1.033 0 50 HDAA CC(C)(C)OC(=O)N1CCN(S(=O)(=O)N2CCC(N3CCCCC3)CC2)CC1 1208401271 RDFZKDJQHOYYAJ-UHFFFAOYSA-N 416.588 1.734 0 50 HDAA Cc1cccc(Nc2nc(N)nc(CN3CC[C@H](O)[C@@](CC4CC4)(C(=O)O)C3)n2)c1 1704313083 NDDBHLKALQCTOS-KKSFZXQISA-N 412.494 1.944 0 50 HDAA O=C(O)[C@@]1(Cc2ccccc2)CN(Cc2cnc(N3CCOCC3)nc2)CC[C@@H]1O 1704352934 GNGNGYNZROMUCD-UGKGYDQZSA-N 412.490 1.194 0 50 HDAA CCOC(=O)[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CCN(C(=O)Cn1ccc(C)n1)C2 1857684980 MEGYEAIPZHFUKU-WOIUINJBSA-N 418.538 1.474 0 50 HDAA O=C(NC1CCS(=O)(=O)CC1)[C@]12COC[C@H]1CN(Cc1ccc(F)cc1F)C2 1857693963 UWYCGDUHTHIKIP-AUUYWEPGSA-N 414.474 1.107 0 50 HDAA Cc1cc2[nH]cc(C(=O)N3CCO[C@@H](CO)[C@@H]3c3ccccc3Cl)c(=O)n2n1 1875241472 WYWHLRRWIZOEOP-RDJZCZTQSA-N 402.838 1.559 0 50 HDAA C=CC(=O)N1CCC(C(=O)N2CCO[C@H](c3ccc(S(C)(=O)=O)cc3)C2)CC1 1875369621 ZAQOLXHZBBPLHS-SFHVURJKSA-N 406.504 1.415 0 50 HDAA CO[C@H]1C[C@@H](C(=O)NCCc2cccc(F)c2)CC[C@@H]1NC(=O)c1cn(C)cn1 2100483824 PPNBRLJWTNLVDG-IEZWGBDMSA-N 402.470 1.832 0 50 HDAA CCOC(=O)c1c(NC(=O)COC(=O)[C@@H]2CCC2(F)F)sc(C(N)=O)c1C 2325737223 CVEQBFMERYQEQI-QMMMGPOBSA-N 404.391 1.859 0 50 HDAA O=C(NCc1ccnn1[C@@H]1CC1(F)F)C(=O)NCc1ccnn1[C@@H]1CC1(F)F 2325816854 GBSMVZDOCCQMJP-VXGBXAGGSA-N 400.336 1.172 0 50 HDAA C[C@]1(C(=O)N2CC(F)(CNC(=O)c3cnn4cccnc34)C2)[C@@H]2Cc3ccccc3[C@@H]21 2325826994 RJNYRLPRRNLJIT-FGSXEWAUSA-N 419.460 1.986 0 50 HDAA Cc1c(C(=O)N2C[C@@H]3[C@@H](CC[C@H]3NC(=O)c3c[nH]c(=N)s3)C2)sc2nccn12 2325875777 BSICORXJVBNEHQ-QJPTWQEYSA-N 416.532 1.854 0 50 HDAA Cn1c(SCC(=O)OCC(=O)c2ccc(Cl)cc2)nc2c1c(=O)[nH]c(=O)n2C 640028 ZCVOHVSGQYDIJC-UHFFFAOYSA-N 422.850 1.132 0 50 HDAA CCn1c(CNC(=O)c2cccc(C)c2)nnc1SCC(=O)N1CCOCC1 9262949 YMBQMTXQJVHINH-UHFFFAOYSA-N 403.508 1.487 0 50 HDAA COC(=O)CN(C)C(=O)C[C@@]1(c2ccccc2)CC(=O)N(CCc2ccccn2)C1=O 11785359 XKZFKPYOQJSQOQ-QHCPKHFHSA-N 423.469 1.343 0 50 HDAA COc1ccc(C(=O)N[C@H]2C[C@H]3C(=O)N[C@@H](COCc4ccccc4)C(=O)N3C2)cc1 14541917 XCXBFOHEDLQYIR-IHPCNDPISA-N 423.469 1.110 0 50 HDAA O=C1N[C@@H](Cc2ccccc2)C(=O)N2CCN(Cc3cccc4cccnc34)C[C@H]12 14741196 FMUZPZMEDJXVAE-LEWJYISDSA-N 400.482 1.989 0 50 HDAA Cc1c(C)n2c3c(=O)n(CCN4CCCCC4)c(=O)n(C)c3nc2n1CC(C)C 16606597 GLXMQKVFINRRHR-UHFFFAOYSA-N 400.527 1.908 0 50 HDAA COc1cc(CNC(=O)C[C@H]2C(=O)NCCN2Cc2cccs2)cc(OC)c1 55035749 WUCHZVFHUQWDMM-SFHVURJKSA-N 403.504 1.772 0 50 HDAA O=C(NCc1ccccn1)[C@H]1CCCN(C2CCN(C(=O)Cn3ccnc3)CC2)C1 82156228 QLVGFZSQUVXSFT-SFHVURJKSA-N 410.522 1.298 0 50 HDAA CNC(=O)c1ccc(CN2CCN(C)[C@]3(CCC(=O)N(CCOC)CC3)C2)cc1 91435351 QKAQXGZYNFVMDC-QFIPXVFZSA-N 402.539 1.191 0 50 HDAA O=C1[C@@H]2[C@@H](C(=O)N1c1cccc(N3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)n1)[C@H]1C=C[C@H]2C1 100117085 XUHBJVKFPCUALP-FPRPUBAJSA-N 401.422 1.705 0 50 HDAA CS(=O)(=O)Nc1ccc(CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)cc1 218144400 IPXWPUAVXDMELA-SFHVURJKSA-N 415.471 1.894 0 50 HDAA COCc1cc(CN(C)C(=O)c2ccc3c(c2)[nH]c(=O)n3[C@H]2CC[C@H](O)CC2)n[nH]1 244795711 RMFGNCYCVWUWFX-QAQDUYKDSA-N 413.478 1.947 0 50 HDAA CC(C)(C)OC(=O)COCCOCCOCCOCCONC(=O)OC(C)(C)C 585672482 OJGYJBJFYUIXNY-UHFFFAOYSA-N 423.503 1.851 0 50 HDAA COc1cc(CN2C[C@@H]3CC[C@H](C2)[C@@H]3OC)ccc1OCC(=O)N1CCOCC1 824500072 SKHDBUWTLLPDBF-OEWRPIJISA-N 404.507 1.790 0 50 HDAA O=C1CCC(CCC(=O)N2CCN(c3cc(O)nnc3-c3ccccc3)CC2)=NN1 952979699 OWAPSTCAUSJONN-UHFFFAOYSA-N 408.462 1.544 0 50 HDAA Cc1ccc(CNC(=O)Cn2nc3n(c2=O)CCCCC3)c(O[C@@H]2CCOC2)c1 1319609948 NHPLCSVQBPFTHV-QGZVFWFLSA-N 400.479 1.564 0 50 HDAA COc1cc(OC)cc([C@H](O)CNc2ccc(S(=O)(=O)N3CCOCC3)cn2)c1 1321937058 GQRNDJMYQFASKV-GOSISDBHSA-N 423.491 1.265 0 50 HDAA CCOC(=O)CC1CCN(c2ncnc3c2ncn3C[C@H](CO)[C@@H]2CCOC2)CC1 1875269157 JVKMWSRHVHEGIB-IAGOWNOFSA-N 417.510 1.641 0 50 HDAA CCOC(=O)N1CCN(C(=O)CN(c2ccc(C(C)C)cc2)S(C)(=O)=O)CC1 879853 BELIBBCMOYVPJZ-UHFFFAOYSA-N 411.524 1.877 0 50 HDAA CSCC[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](Cc1ccccc1)C(=O)O 9212397 CHDYFPCQVUOJEB-YESZJQIVSA-N 409.552 1.410 0 50 HDAA biogenic Cn1c(CCNC(=O)Cc2ccc3c(c2)OCO3)nnc1SC[C@@H]1CCCO1 12219184 CANXEDFJSJRMKC-AWEZNQCLSA-N 404.492 1.716 0 50 HDAA COc1ccc(OC[C@H](O)CN2CCC(O)CC2)c(CNCCCOC(C)C)c1 12459557 QHWULONEBMNOIV-HXUWFJFHSA-N 410.555 1.796 0 50 HDAA CCN(CC)C[C@H](O)COc1ccc(CN(C)CCN2CCOCC2)cc1OC 23374562 VMLDFEIZXRZOHU-FQEVSTJZSA-N 409.571 1.541 0 50 HDAA O=C(N[C@H]1CCCCNC1=O)c1coc(CN2CCN(c3ccccc3F)CC2)n1 55166929 UYQPGRKOEQPDRX-INIZCTEOSA-N 415.469 1.534 0 50 HDAA Cc1nc(CN(C)C(=O)[C@@H]2[C@@H]3C=C[C@@]4(CN(Cc5cccnc5)C(=O)[C@@H]24)O3)cs1 77354811 COGOACLOJOBXQR-OOSNJVJTSA-N 410.499 1.787 0 50 HDAA O=C(NCc1ccccn1)[C@H]1CCCN(C2CCN(C(=O)c3cccnn3)CC2)C1 82137056 ZQGLAZOMAJHZLU-KRWDZBQOSA-N 408.506 1.505 0 50 HDAA CN(C)C(=O)CN1CCC(N2CCC[C@@H](C(=O)NCCc3ccccc3)C2)CC1 82138875 AXTGCYBPFIRINQ-HXUWFJFHSA-N 400.567 1.610 0 50 HDAA O=C1C[C@@H](N2CCN(c3ncccn3)CC2)C(=O)N1c1cccc(Br)c1 100037217 BPSXSNVBQFSBIR-OAHLLOKOSA-N 416.279 1.693 0 50 HDAA CCS(=O)(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C(=O)O)cc2)c(OC)c1 170591076 HUWPZRCTBUDGME-UHFFFAOYSA-N 414.461 1.956 0 50 HDAA O=C(O)[C@@H]1[C@@H](C(=O)NCCCCNC(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)[C@H]2C=C[C@H]1C2 238997489 AJOOLUPABXIBLF-FGHRBXFKSA-N 416.474 1.045 0 50 HDAA COc1ccc(C(=O)NC[C@H]2CN(C3CCN(C4CCC4)CC3)C(=O)CO2)cc1 299763012 XZBOJKORQNGPOO-FQEVSTJZSA-N 401.507 1.669 0 50 HDAA CC[C@H]1CN(C(=O)NC2CCN(C3CCN(C)CC3)CC2)[C@@H](CC)CN1C(C)=O 473028095 QVLQIOYXUUXUKU-PMACEKPBSA-N 407.603 1.976 0 50 HDAA Cc1nc(C)c(CC(=O)N[C@H]2C3CN4CCN(C3)CC2(c2ccccc2)C4)c(O)n1 827847627 BZUHZEFXCLNQOS-QKTWPWEVSA-N 407.518 1.025 0 50 HDAA C[C@H](NC(=O)Cn1nc(Cc2ccccc2)c2ccccc2c1=O)c1nncn1C 827864135 BBQWYMGFMFXGLC-HNNXBMFYSA-N 402.458 1.993 0 50 HDAA O=C(Cn1ccc2ccccc21)NC[C@@H]1CCCN(S(=O)(=O)c2cn[nH]c2)C1 952984242 ZDSAXJKHZKEEMH-HNNXBMFYSA-N 401.492 1.582 0 50 HDAA Cc1nonc1C(=O)N1CC(=O)N2[C@H](c3ccccc3)[C@H](C(=O)NC3CC3)C[C@@H]2C1 1857692154 QTHAIHAKTMBLEG-GPMSIDNRSA-N 409.446 1.071 0 50 HDAA CC(=O)c1cccc(NC(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 1064245 KTMAMDXDOIMFCC-UHFFFAOYSA-N 418.471 1.928 0 50 HDAA O=C(NCc1ccncc1)c1cn(CCNC(=O)C23CC4CC(CC(C4)C2)C3)nn1 12246987 ARSSNDDMABKNHM-UHFFFAOYSA-N 408.506 1.936 0 50 HDAA O=C(Cn1nnnc1CN1CCCCCC1)N[C@H](Cn1ccnc1)c1ccccc1 20201310 UIDJLWJISGNUSY-LJQANCHMSA-N 408.510 1.803 0 50 HDAA CC(C)CC(=O)[C@@H]1CCCN(C(=O)c2ccc(N3CCC(O)(CO)CC3)nc2)C1 67696522 LYWIUKQSBZDNKY-GOSISDBHSA-N 403.523 1.873 0 50 HDAA CCc1ccc(S(=O)(=O)N2CCN(c3ccnc(N4CCOCC4)n3)CC2)cc1 82230317 AFUVXYPYFNOMKA-UHFFFAOYSA-N 417.535 1.387 0 50 HDAA CN(C)C(=O)c1cccc(N2CC[C@@]3(O)CCN(C(=O)C4CCCC4)C[C@H]3C2)n1 95368809 ITRDSCOESVJGTL-VGOFRKELSA-N 400.523 1.763 0 50 HDAA Cc1ccc(CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1S(=O)(=O)N(C)CC(=O)O 169676045 UGVVOCVXMMUPOY-HUUCEWRRSA-N 408.476 1.375 0 50 HDAA C[C@H](O)[C@@H]1N[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]12 252695307 YANRSASOKFLTAR-HNTOPYAMSA-N 405.454 1.031 0 50 HDAA biogenic Cn1c(=O)c2c(C(F)(F)F)cc(=O)n(Cc3c(F)cccc3F)c2n(C)c1=O 263639670 CTYYMYVFPIIIKS-UHFFFAOYSA-N 401.291 1.744 0 50 HDAA Cc1nc(C(=O)N2C[C@H]3CN(C(=O)c4cc(CC(C)C)no4)C[C@]3(CO)C2)cs1 1772711984 ZCWSFAMPEIXDHY-XOBRGWDASA-N 418.519 1.845 0 50 HDAA CCOc1ccc2nc(N3C[C@H](C(=O)NCCn4cc(C)nn4)CC3=O)sc2c1 1857722667 MYZGARJTPRVWTN-CYBMUJFWSA-N 414.491 1.764 0 50 HDAA O=C1C[C@H]2N(S(=O)(=O)c3ccccc3OC(F)(F)F)CC[C@]23OCCCN13 1857740344 FTPCWDAOBXIMGW-HIFRSBDPSA-N 406.382 1.697 0 50 HDAA CN(C)CCCC(=O)N1C[C@@H](NC(=O)c2cnc(O)n2C)[C@H](c2cccc(F)c2)C1 1875330405 QHDMOCITLMUANI-DLBZAZTESA-N 417.485 1.331 0 50 HDAA COc1ccc([C@@H]2[C@@H](C(=O)N(C)CCN3CCCC3)OCC(=O)N2C2CC2)cc1 1940195008 IBERTHLQFNRVKF-RTWAWAEBSA-N 401.507 1.680 0 50 HDAA Cc1nnc2n1C[C@@H](CNC(=O)C(=O)Nc1cccc(OCc3ccncc3)c1)CC2 2325734263 MVHFDJHCHSILHF-QGZVFWFLSA-N 420.473 1.878 0 50 HDAA Cn1c(=O)c2c(nc(N3CCNCC3)n2Cc2cccc3ccccc23)n(C)c1=O 796262 RFOQPGZBMDFBEQ-UHFFFAOYSA-N 404.474 1.045 0 50 HDAA COc1ccc(CNCCNC(C)=O)cc1OC[C@H](O)CN(C)Cc1ccccc1 12440268 APUWGMSPAQZAMR-OAQYLSRUSA-N 415.534 1.793 0 50 HDAA O=C(NCCN1CCOCC1)[C@H]1CC(=O)N(CCc2c[nH]c3ccc(Cl)cc23)C1 13944726 LIDXHKOWMWPMQS-INIZCTEOSA-N 418.925 1.661 0 50 HDAA COc1ccc(C[C@@H]2NC(=O)[C@H]3CN(C(=O)Oc4ccc(C)cc4)CCN3C2=O)cc1 14732935 RKVJKESPXJYDHD-VQTJNVASSA-N 423.469 1.756 0 50 HDAA O=C1N[C@@H](Cc2ccc(Cl)cc2)C(=O)N2CCN(C(=O)c3ccc(F)cc3)C[C@H]12 14753214 QXVNGQODNLOGFA-ZWKOTPCHSA-N 415.852 1.873 0 50 HDAA NS(=O)(=O)c1ccc(NC(=S)NNC(=S)Nc2ccc(F)cc2F)cc1 16361151 GPINPLLNPLPNJE-UHFFFAOYSA-N 417.488 1.800 0 50 HDAA Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NCCCN1CCOCC1 20394434 OBNYIRRMYSPNFM-UHFFFAOYSA-N 409.552 1.622 0 50 HDAA Cn1ccnc1-c1ccc(N2CC[C@H](N3CCOCC3)[C@H](CCC(=O)O)C2)nn1 91973970 MYBQYKAPGHITEC-WBVHZDCISA-N 400.483 1.269 0 50 HDAA O=C(/C=C/c1ccccc1)N1CCN(CCN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)CC1 100586822 MNSVLHIUWLCFEO-GDPPRAIDSA-N 405.498 1.651 0 50 HDAA C[C@H](CNC(=O)c1ccc(S(=O)(=O)NCc2cccs2)cc1)c1nncn1C 170607768 HTKQTJHQISHRPO-CYBMUJFWSA-N 419.532 1.889 0 50 HDAA COc1ccc(C(=O)NC[C@H]2CN(CC3CCN(CC4CC4)CC3)C(=O)CO2)o1 299798110 PNWDDSYASAIRBX-KRWDZBQOSA-N 405.495 1.367 0 50 HDAA O=C(CN1C(=O)Cn2c(cc3ccccc32)C1=O)Nc1cc([C@H]2CCCOC2)[nH]n1 473415604 VXXUKTYQQLJUEM-AWEZNQCLSA-N 407.430 1.880 0 50 HDAA Cc1c(C(=O)NC23C[C@@H]4C[C@H](C2)CC(n2ncnn2)(C4)C3)sc2[nH]cnc(=O)c12 670455459 ZPVUNOSICGLGFW-ORMMXULVSA-N 411.491 1.757 0 50 HDAA CC(=O)N1CC[C@H](NC(=O)[C@@H]2CCCCN2C(=O)c2ccc(O)nn2)c2ccccc21 1324466275 KTURMYPHLBMTGR-LPHOPBHVSA-N 423.473 1.791 0 50 HDAA CNC(=O)CN1[C@H]2CC[C@@H]1C[C@]1(C2)CN(C(=O)c2cccc(N(C)C)c2)CCO1 1857666985 RAJSZFZWLANYGU-NGRWLJPCSA-N 400.523 1.337 0 50 HDAA CCOC(=O)[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CCN(c1ncnc3[nH]cnc13)C2 1857702253 GCEUBGONBPWBSQ-WHSLLNHNSA-N 414.510 1.613 0 50 HDAA CCc1nnc(N2C[C@H](C(=O)NC3CCN(c4ncccn4)CC3)CC2=O)s1 1857712465 ZOTZQVOVVBRWSW-GFCCVEGCSA-N 401.496 1.029 0 50 HDAA COc1ccc(C(=O)N2CCC[C@](O)(CN3CCc4nocc4C3)C2)c(OC)n1 1857729929 JISIRSZZIVRLPU-FQEVSTJZSA-N 402.451 1.112 0 50 HDAA CCC/C(C)=C/C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1cccn(CC(=O)N(C)C)c1=O 2325872877 QCJDBEWUICGWOM-DAPLNWGVSA-N 414.506 1.108 0 50 HDAA O=C1CC[C@H](N2Cc3cc(C(=O)Nc4cnc5n4CCCC5)ccc3C2=O)C(=O)N1 2325895993 OIXLTIFIWOAEJS-HNNXBMFYSA-N 407.430 1.233 0 50 HDAA CCn1cc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3cn(CC)nc3C)C2)c(C)n1 2806937 QUFWWEPUWAKXSU-MRXNPFEDSA-N 422.555 1.453 0 50 HDAA CCOC(=O)[C@@H]1[C@H]2c3ccccc3O[C@]1(C)N=c1s/c(=C/c3ccoc3)c(=O)n12 4501439 UGPLQSYPQIYJQW-JGVRQKFRSA-N 410.451 1.842 0 50 HDAA Cc1nn(CCCNC(=O)C2CCN(S(C)(=O)=O)CC2)cc1Br 6921669 QHTKJVCZQQUOTJ-UHFFFAOYSA-N 407.334 1.132 0 50 HDAA COc1ccc(C[C@@]2(CCC(=O)N[C@H]3CCCCNC3=O)CCC(=O)N2)c(F)c1 12182610 KSMVEHWUTPTFPQ-LAUBAEHRSA-N 405.470 1.591 0 50 HDAA COc1cc(CN2CCc3nnc(CCNC(=O)C4CCC4)n3CC2)cc(OC)c1 20448880 IGDQGLOAISBTQL-UHFFFAOYSA-N 413.522 1.812 0 50 HDAA COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NC[C@@H](C)CN3CCCC3)C2)cc1 72437102 PFCKZGUAMLSVOT-QZTJIDSGSA-N 423.579 1.944 0 50 HDAA Cc1cn2cc(CNC(=O)c3ccc(CN4CCC[C@@H]4CCO)[nH]c3=O)nc2s1 77486821 PRJANKYCWPUNHV-MRXNPFEDSA-N 415.519 1.669 0 50 HDAA O=C(O)CN1C(=O)[C@H]2[C@@H]3C[C@H]([C@H]2C1=O)[C@H]1Sc2[nH]c(=O)sc2C2(CCCC2)[C@H]31 170612682 HFGNCTZBQJNROV-HSVAUYOBSA-N 420.512 1.674 0 50 HDAA O=C(O)C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]12 245257263 YCZGLUZMJMOHOP-FCQWJQKHSA-N 405.410 1.082 0 50 HDAA CCOC(=O)N1CCN(C(=O)C[C@H]2N=C(O)N(CCc3ccccc3)C2=O)CC1 252536052 HMXMWMATZRMSFT-MRXNPFEDSA-N 402.451 1.045 0 50 HDAA O=C(CC[C@H]1N=C(O)N(Cc2cccc(F)c2)C1=O)NCCCN1CCOCC1 252548583 QDSXIIXCCNPYAV-QGZVFWFLSA-N 406.458 1.069 0 50 HDAA CC(=O)N[C@@H]1[C@H](Oc2ccc(C(C)=O)cc2)O[C@@H]2CO[C@H](c3ccco3)O[C@H]2[C@H]1O 253498564 NLFBZPXTFIBIDP-LJGAWZCMSA-N 417.414 1.566 0 50 HDAA C[C@@H](CNC(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1Cc1ccccc1)C(=O)O 485955114 JEWWFPWPHMBUQA-IFXJQAMLSA-N 409.442 1.337 0 50 HDAA CCN1C(=O)[C@H]2CN(C(=O)c3c(C)nc4ccc(Br)cn34)CCN2C1=O 684455607 WUSRACVUMOHURO-GFCCVEGCSA-N 420.267 1.514 0 50 HDAA Cn1cnn(CCC(=O)N2Cc3cnn(-c4ccccc4F)c3CC(C)(C)C2)c1=O 952894049 PGBPVHMVGYZCDC-UHFFFAOYSA-N 412.469 1.908 0 50 HDAA CCS(=O)(=O)NC[C@H](C)N1CCCN(C(=O)c2cc(F)ccc2OC)CC1 1800408333 DDCOQHZBLCBPLE-AWEZNQCLSA-N 401.504 1.310 0 50 HDAA O=C(Cn1cccnc1=O)N1CCC[C@@]2(CCc3c(O)nc(-c4cccnc4)nc32)C1 1857705022 OVLWWHLUCLFWPY-JOCHJYFZSA-N 418.457 1.308 0 50 HDAA Cc1cc(NC(=O)CN(C)[C@H]2CCS(=O)(=O)C2)n(Cc2cccc(Cl)c2)n1 2100483257 GCZQTNDMTYILTI-INIZCTEOSA-N 410.927 1.951 0 50 HDAA COc1ccc(OC)c(S(=O)(=O)N(C)CC(=O)Nc2ccc(OC)c(OC)c2)c1 1076038 JOQWDYWSMDHGRB-UHFFFAOYSA-N 424.475 1.980 0 50 HDAA CCOc1ccc(N(CC(=O)N2CC(=O)Nc3ccccc32)S(C)(=O)=O)cc1 4941292 BNQSFGGEUYTZBE-UHFFFAOYSA-N 403.460 1.837 0 50 HDAA COC(=O)[C@H](C)NC(=O)N1CCN(C(=O)CCCc2c[nH]c3ccccc23)CC1 9048004 KQAXIJWFVCDVCF-HNNXBMFYSA-N 400.479 1.906 0 50 HDAA O=C1CN(C(=O)[C@H]2CCOC2)C[C@H](OCc2ccccc2)CN1Cc1cccnc1 14742841 PXKGLAJADNSVEV-LEWJYISDSA-N 409.486 1.874 0 50 HDAA COC(=O)c1ccc(CNCC[C@@H]2CCC(=O)N2CCCN2CCOCC2)cc1 14958465 HBOLKXAYILMJFU-FQEVSTJZSA-N 403.523 1.666 0 50 HDAA Cc1nc(N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc(-n2ccnc2)n1 67604988 LFZRYFDHIAGGAY-UHFFFAOYSA-N 402.455 1.621 0 50 HDAA Cc1ccc(F)cc1S(=O)(=O)N1CCN(c2ccc(-n3cccn3)nn2)CC1 67623058 JOGOCCSGZCJPPR-UHFFFAOYSA-N 402.455 1.621 0 50 HDAA O=C([C@H]1[C@@H]2C=C[C@@]3(CN(c4ccc(F)cc4)C(=O)[C@H]13)O2)N1CCCn2cncc2C1 77342346 JMWSNMIASIOHTK-OZIGNCPNSA-N 408.433 1.741 0 50 HDAA O=C(CN1CCOC1=O)N1CCC2(CCC(=O)N(CCc3cccnc3)C2)CC1 95352387 PETQVMRNRDKFFO-UHFFFAOYSA-N 400.479 1.308 0 50 HDAA CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N1CCC[C@@H](N2CCCS2(=O)=O)C1 225722738 HCYNKXMZUWUJIQ-CABCVRRESA-N 401.529 1.412 0 50 HDAA COc1ccc([C@@H](CC(=O)NCCO)c2c(O)cc(C)oc2=O)c(OC)c1OC 253414055 WIHWITFYEPQNPV-CYBMUJFWSA-N 407.419 1.310 0 50 HDAA biogenic O=C(c1ccc2n[nH]cc2c1)N1CCC[C@H](C(=O)N2CCO[C@@H](c3ncon3)C2)C1 474228191 FUUBVPSRFIURLL-WMLDXEAASA-N 410.434 1.398 0 50 HDAA COc1cccc(C(=O)N2CCC(C(=O)N(CCO)Cc3cnc(C)[nH]3)CC2)c1 1704340906 XSCRUDZFNNLJPK-UHFFFAOYSA-N 400.479 1.600 0 50 HDAA COc1ccc(-n2cccn2)cc1S(=O)(=O)N1CCC2(CC1)CN(C)CCO2 1772811463 WUMUMQAITKZNGC-UHFFFAOYSA-N 406.508 1.366 0 50 HDAA COc1cc(CN)ccc1Oc1ccc(C(=O)N2C[C@@H]3CC(=O)N[C@@H]3C2)cc1OC 1857683711 ZNKGCIYDDTYFBQ-JKSUJKDBSA-N 411.458 1.915 0 50 HDAA O=C1CN(C(=O)c2ccncc2)CCCNC(=O)c2cc(Cl)ccc2OCCN1 1857689073 JIKKHEAYZRGDMJ-UHFFFAOYSA-N 416.865 1.506 0 50 HDAA Cc1cnc(C)c(N2CC[C@H](O)[C@H](NC(=O)c3cnn(Cc4ccccc4)c3)C2)n1 1857701672 TTWWUGPJMUEPEX-UXHICEINSA-N 406.490 1.708 0 50 HDAA O=C([C@@H]1CCCC[C@H]1C(=O)N1CCC[C@](F)(CO)C1)N1CCC[C@](F)(CO)C1 2325725961 GJRUUPUNAIGPFT-XNFNUYLZSA-N 402.482 1.439 0 50 HDAA Cc1ccc([C@H]2CS(=O)(=O)CCN2Cc2ccc(S(=O)(=O)N(C)C)o2)o1 2325750327 QHKBMXCPLLDPJQ-CQSZACIVSA-N 402.494 1.403 0 50 HDAA O=S(=O)(Cc1cccc(Br)c1F)NCCN1CCCS1(=O)=O 2325820180 DGXLFUQQRLFRGT-UHFFFAOYSA-N 415.306 1.043 0 50 HDAA NC(=O)c1cccc(C(=O)N[C@H]2CCCCN(C(=O)CCCC(F)(F)CO)C2)c1 2325864272 KZPVZHBLXQHIHJ-INIZCTEOSA-N 411.449 1.694 0 50 HDAA CCCO[C@@H]1CC[C@H](C(=O)NCCCn2ccnc2)C[C@H]1NC(=O)c1ncc[nH]1 2356151758 XWWOQTCTWQTUNP-GVDBMIGSSA-N 402.499 1.506 0 50 HDAA COC[C@H](O)CNC(=O)C1CCN(C2CCN(Cc3ccccc3C)CC2)CC1 12052550 FTFLNOYLYOLGAE-JOCHJYFZSA-N 403.567 1.795 0 50 HDAA COc1ccc(CN2CCNC(=O)C2)c(OC[C@H](O)CN2CCCCCCC2)c1 12075020 WAZRLGVRESKSKJ-LJQANCHMSA-N 405.539 1.633 0 50 HDAA CCN(Cc1ccncc1)C(=O)C[C@@H]1C(=O)NCCN1Cc1ccc(OC)cc1F 12441603 IIECCZOUVIYUGL-HXUWFJFHSA-N 414.481 1.969 0 50 HDAA CCOc1ccc(C(=O)N2CCN(c3cc(N4CCN(C)CC4)nc(C)n3)CC2)cc1 72437804 HALAZFFNDYINEK-UHFFFAOYSA-N 424.549 1.898 0 50 HDAA Cc1ccc(CCN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N3CCc5n[nH]cc5C3)[C@H]4C2=O)cc1 77394423 AGKFGJLCQVLCQC-XARGGIHNSA-N 418.497 1.628 0 50 HDAA Cc1ccn(-c2cc(N3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)ncn2)n1 91401411 ZYZAMDVEYYRTBD-UHFFFAOYSA-N 402.455 1.621 0 50 HDAA CCc1nnc(NS(=O)(=O)c2ccc(NS(=O)(=O)CCOC)cc2)s1 225530128 GOXHFLMAUYOTAL-UHFFFAOYSA-N 406.511 1.289 0 50 HDAA CCOC(=O)CN1C(=O)[C@@H]2[C@H](C1=O)[C@H]1C[C@@H]2[C@H]2[C@H]1Sc1[nH]c(=O)sc1C2(C)C 245227527 IQJBRHZBQAQOMB-VNRLQFKDSA-N 422.528 1.619 0 50 HDAA CCN(C(=O)CN1CCC[C@@H](c2ncc(C(F)(F)F)[nH]2)C1)[C@@H]1CCS(=O)(=O)C1 252527719 DEVPXQGRNXRWBT-CHWSQXEVSA-N 422.473 1.644 0 50 HDAA O=C(NC12C[C@@H]3C[C@H](C1)CC(n1cncn1)(C3)C2)[C@@H]1CC(=O)N(Cc2cccnc2)C1 952976984 ODXYNJUBMSHBCX-UMBTVWGKSA-N 420.517 1.886 0 50 HDAA CCn1cc(CN2CCO[C@@]3(C[C@@H]4CC[C@H](C3)N4C(=O)CN3CCOC3=O)C2)cn1 1857668371 USWUYMGYAKPCAA-WGMWDUQUSA-N 417.510 1.080 0 50 HDAA CON(C)C[C@H](O)Cn1cc(NC(=O)Nc2cccc(=Nc3ccccc3)[nH]2)cn1 1875327791 LLVZOCXUQMENCL-KRWDZBQOSA-N 411.466 1.942 0 50 HDAA COc1cc2c(cc1OC)C1(CCN(CC(=O)Nc3cnn(C)c3)CC1)OCC2 2356140689 OKLMYMZEXFXBCX-UHFFFAOYSA-N 400.479 1.940 0 50 HDAA Cn1c(=O)c2c(nc(SCC(=O)O)n2Cc2ccc(F)cc2Cl)n(C)c1=O 870602 KZNVQMRGHNQCKM-UHFFFAOYSA-N 412.830 1.451 0 50 HDAA CCN(C(=O)CSc1nc2c(c(=O)n(C)c(=O)n2C)n1CC)c1ccccc1 1051931 CGKMIQKFFHWZOA-UHFFFAOYSA-N 401.492 1.599 0 50 HDAA COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCOCC3)C2)cc1Cl 2874668 XGVDDRPBOFFDKH-CYBMUJFWSA-N 402.900 1.608 0 50 HDAA CCOc1ccc(NC(=O)Cc2nnc(SCC(=O)N3CCOCC3)n2C)cc1 6729182 HXQSONDKUPVTIL-UHFFFAOYSA-N 419.507 1.346 0 50 HDAA CCOc1ccccc1CNC(=O)c1cnc2sc(N3CCOCC3)nn2c1=O 8603151 NDNUFMJHCYSSKT-UHFFFAOYSA-N 415.475 1.316 0 50 HDAA CCN(CCN1CCCC1)C(=O)C[C@H]1C(=O)NCCN1Cc1ccc(OC)c(C)c1 11719649 WHCHCIPGQITYAK-FQEVSTJZSA-N 416.566 1.638 0 50 HDAA C[C@H]1CN(C(=O)c2cn(CCNC(=O)Cc3cccc(Cl)c3)nn2)C[C@@H](C)O1 12161655 IVLNTSCVSYRVLA-OKILXGFUSA-N 405.886 1.540 0 50 HDAA O=C(C[C@H]1C(=O)NCCN1Cc1cccc2ccccc12)NCCN1CCOC1=O 12706571 QLESOCFUWHZADI-IBGZPJMESA-N 410.474 1.099 0 50 HDAA CN(Cc1csc(-c2ccccc2)n1)C(=O)Cn1nnnc1CN1CCOCC1 20998295 VWLLOQQDIFKDAH-UHFFFAOYSA-N 413.507 1.287 0 50 HDAA COc1ccc(NC(=O)CN2CCN(S(=O)(=O)N3CCCCCC3)CC2)cc1 36051252 CUGHKAGVUCLZDU-UHFFFAOYSA-N 410.540 1.372 0 50 HDAA Cc1nc(N2CCCC2)cc(N2CCN(S(=O)(=O)c3c(C)noc3C)CC2)n1 67603655 IKKHDJNAJFVHCT-UHFFFAOYSA-N 406.512 1.501 0 50 HDAA O=C(CCn1nnnc1CN1CCOCC1)N1CCCC[C@@H]1CCc1ccccn1 91914650 AGENIRIPNFYCCN-LJQANCHMSA-N 413.526 1.304 0 50 HDAA CCOC(=O)N1CCN([C@@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)C2=O)CC1 101129666 CFYMWLOQWJZUOE-MRXNPFEDSA-N 419.478 1.148 0 50 HDAA CCCCN(C(=O)CN1C(=O)N[C@]2(CCCC[C@H]2C)C1=O)[C@@H]1CCS(=O)(=O)C1 229544759 OHOGTLGLJKEOHX-CLCXKQKWSA-N 413.540 1.303 0 50 HDAA C[C@H]1Sc2ccc(C(=O)NCCCN3CCC[C@H]3C(=O)N(C)C)cc2NC1=O 247963642 FXOBBRDJNYDYRA-CJNGLKHVSA-N 404.536 1.792 0 50 HDAA O=S(=O)(C1CCOCC1)N1C[C@H]2CCC[C@@]2(c2nc(-c3cccnc3)no2)C1 328605294 NFPBNFVPJUSFKB-DNVCBOLYSA-N 404.492 1.994 0 50 HDAA COc1ccnc(C(=O)NC[C@H]2CCCN(CC(=O)NCc3cccs3)C2)c1 824835768 RRILSGCWMRIVPI-OAHLLOKOSA-N 402.520 1.910 0 50 HDAA O=C(NC[C@@H]1CCCN(C(=O)Cn2cnc3ccsc3c2=O)C1)c1ccco1 952989453 QLYMGKYVNVYDMR-ZDUSSCGKSA-N 400.460 1.720 0 50 HDAA COc1cc(C)c(C)cc1S(=O)(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 1506428959 RVEXYAXLPJTUAL-UHFFFAOYSA-N 409.552 1.807 0 50 HDAA Cc1sc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)NC[C@@H]1CNCCO1 1506431618 RTULBPDFHMCTHW-VIFPVBQESA-N 411.427 1.997 0 50 HDAA COCCn1ccnc1CN1C[C@@H]2CN(Cc3ccoc3)C[C@]2(CCC(=O)O)C1 1772709492 HVQXWMRMXUMSQD-GHTZIAJQSA-N 402.495 1.921 0 50 HDAA Cc1nc2nc(=NC(=O)C3CCN(C(=O)N(C)C)CC3)[nH]n2c(O)c1CC(C)C 1875250231 HPHSSYXSCDYUTF-UHFFFAOYSA-N 403.487 1.091 0 50 HDAA CN(C)Cc1ccsc1C(=O)NC[C@]1(F)C[C@@H](N=c2nc[nH]n3cccc23)C1 1875327680 FWZWJGVEEWEPSW-DHFPXDALSA-N 402.499 1.987 0 50 HDAA Cc1cnnc(O)c1C(=O)N1Cc2ccccc2OC2(C1)CN(C(=O)[C@H]1C[C@@H]1C)C2 2325872901 RDEVRDLRZWRSSZ-BBRMVZONSA-N 408.458 1.762 0 50 HDAA Cn1[nH]c(=NC(=O)c2ccc3c(c2)CN([C@H]2CCC(=O)NC2=O)C3=O)c2ccccc21 2325895943 NBOROOKTKZMXEF-KRWDZBQOSA-N 417.425 1.009 0 50 HDAA c1cncc(-c2nc3n(n2)CCN(Cc2cnc(NC[C@@H]4CCCO4)nc2)CC3)c1 2356160429 RKHYPJOMOCLZPE-SFHVURJKSA-N 406.494 1.779 0 50 HDAA COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NCCc2cccnc2)c(F)c1 11821773 LQBQVJNJVLAZEH-LJQANCHMSA-N 400.454 1.279 0 50 HDAA COc1ccc(CCn2nc(C(=O)O)c3c2CCN(C(=O)Cn2ccnc2)C3)cc1 67643297 NWHOGSMAFJJZPS-UHFFFAOYSA-N 409.446 1.614 0 50 HDAA Cc1ccc(F)cc1S(=O)(=O)N1CCN(c2ccnc(N3CCOCC3)n2)CC1 72119388 BQPVUYHFWUCPST-UHFFFAOYSA-N 421.498 1.272 0 50 HDAA O=C(N[C@@H]1C=CS(=O)(=O)C1)c1cccc(OC2CCN(C(=O)C3CC3)CC2)c1 95505079 ZGAPVBCICAIVCB-MRXNPFEDSA-N 404.488 1.507 0 50 HDAA CN(C)C(=O)c1cccc(CCNC(=O)[C@@H](N)Cc2cn(Cc3ccccc3)cn2)c1 237072657 ORTPLHILQNZNQL-QFIPXVFZSA-N 419.529 1.862 0 50 HDAA COc1ccc(N2C(=O)[C@@H](CC(=O)NCCn3cnc4ccccc43)N=C2O)cc1 252496923 PVCVUAIAVYBDCE-QGZVFWFLSA-N 407.430 1.881 0 50 HDAA CC[C@@H](CCO)CNS(=O)(=O)C[C@H]1CN(C(=O)OCc2ccccc2)CCO1 253431930 YOHYPUVTFOLTKM-FUHWJXTLSA-N 414.524 1.352 0 50 HDAA O=C1CO[C@@H](COc2ccc(F)cc2)CN1C1CCN(CCn2cnnc2)CC1 299764412 VTAHPZYSHLRCCS-LJQANCHMSA-N 403.458 1.188 0 50 HDAA C[C@@H]1Cc2ccccc2N1C(=O)[C@@H]1CCCC[C@H]1C(=O)N1CCO[C@@H](c2nn[nH]n2)C1 732767050 SGMFMKIEQQQRFM-KLICCBINSA-N 424.505 1.884 0 50 HDAA Nc1nccc([C@H]2CCCN(C(=O)c3cc(S(N)(=O)=O)cc(Cl)c3F)C2)n1 803238287 WYFUTLAZKRCCPX-VIFPVBQESA-N 413.862 1.519 0 50 HDAA Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3nc(N)nc4c3CCCC4)CC2)cc1 952980922 LIWICPFPBYNUBD-UHFFFAOYSA-N 415.519 1.393 0 50 HDAA O=C(NCCc1csc(-c2ncccn2)n1)[C@@H]1CC(=O)N(Cc2ccccn2)C1 952985043 ALSVQMOPKGDQLH-CQSZACIVSA-N 408.487 1.703 0 50 HDAA COc1ccc(CCN(Cc2ccncc2)C(=O)CNC(=O)N(C)C)cc1OC 1506419505 QYHSLQIWSQLKTB-UHFFFAOYSA-N 400.479 1.941 0 50 HDAA Cc1nnc(CN2CCC3(CC2)OCC[C@@](C)(NC(=O)c2cccnc2)[C@@H]3O)o1 1772708438 HWYXHPSJBOPKIC-RBUKOAKNSA-N 401.467 1.078 0 50 HDAA O=C(N=c1[nH][nH]cc1-c1ccccn1)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 1852152722 KDWKHLZZCYNVOV-KRWDZBQOSA-N 415.450 1.825 0 50 HDAA CCOC(=O)c1sc2ccccc2c1CN1CCN([C@H](C)C(=O)NC(N)=O)CC1 1857528180 LPYHJOWSRRHTLH-CYBMUJFWSA-N 418.519 1.779 0 50 HDAA O=C([C@H]1CCOC1)N1CCC2(CCc3c2nc(-c2ccccc2)[nH]c3=NCCO)CC1 1857686364 SFTVCHKPPLENNP-SFHVURJKSA-N 422.529 1.813 0 50 HDAA CCc1noc(CNC(=O)Cn2nc(CC3CC3)nc2[C@H](N)Cc2ccccc2)n1 1857703607 OUYHITDIBFHXNB-MRXNPFEDSA-N 409.494 1.735 0 50 HDAA COc1cccc2c1OCCCN(C[C@]1(O)CCCN(C(=O)c3cnccn3)C1)C2 1857733421 KCHKPPMRDXAIAG-JOCHJYFZSA-N 412.490 1.737 0 50 HDAA CS(=O)(=O)NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCc3ccccc32)c1 1875390838 TYIDGCZPHREUIR-UHFFFAOYSA-N 414.892 1.781 0 50 HDAA COc1cc(C(=O)N[C@@H]2CCC[C@@H](CN3CCN(c4ncccn4)CC3)C2)ccn1 2100483285 JJWFZHHBALGGSI-IEBWSBKVSA-N 410.522 1.991 0 50 HDAA CNCc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@H](NC(C)=O)c2ccccc2)cc1 2325869587 VEDOBDPFKZDZEN-FCHUYYIVSA-N 422.529 1.891 0 50 HDAA COC(=O)c1cc(C)nc2c1c(=O)n(CC(=O)Nc1ccc(C(C)=O)cc1)c(=O)n2C 12445487 AKSHCWFBESFCPP-UHFFFAOYSA-N 424.413 1.032 0 50 HDAA CCOC(=O)c1nn(CC(C)C)c2c1CN(C(=O)CCC1=NNC(=O)CC1)CC2 14536098 KXYBDQPTYVFWII-UHFFFAOYSA-N 403.483 1.647 0 50 HDAA C[C@@H](OCc1ccccc1)[C@@H]1NC(=O)[C@H]2CN(C(=O)c3cccs3)CCN2C1=O 14742394 JBQGBSIDTNGPAO-KYJSFNMBSA-N 413.499 1.505 0 50 HDAA Cc1ncsc1CCN(C)C(=O)[C@@H]1CCC(=O)N(CCCN2CCOCC2)C1 15074528 MCYLRISGLBZYDB-QGZVFWFLSA-N 408.568 1.413 0 50 HDAA O=C(NCc1nnc2n1CCN(Cc1c(F)cccc1Cl)CC2)[C@@H]1CCOC1 19745468 IZVQJQRGAMASSP-CYBMUJFWSA-N 407.877 1.782 0 50 HDAA Cc1nc(N2CCOCC2)cc(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)n1 49025930 FSKABJVTRRCMBF-UHFFFAOYSA-N 417.535 1.274 0 50 HDAA O=C(Nc1ccc(-n2cncn2)cc1)c1cccc(CN2CCS(=O)(=O)CC2)c1 116202607 JKXFZQITYJBVHU-UHFFFAOYSA-N 411.487 1.750 0 50 HDAA COc1ccc(CNC(=O)C[C@H]2NC(=O)N(Cc3ccc4c(c3)OCO4)C2=O)cc1 206248909 KQQNMHJBLGMXDG-MRXNPFEDSA-N 411.414 1.551 0 50 HDAA O=C(NCCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)Nc1nnc(C(F)(F)F)s1 225387523 YXEAZXCECSRZIU-RBXMUDONSA-N 401.370 1.486 0 50 HDAA C[C@H]1CN(C(=O)CN(CC(=O)N2C[C@@H](C)OC[C@H]2C)Cc2cccnc2)[C@H](C)CO1 241326140 LZNMGBAEWSRIJA-MKXGPGLRSA-N 418.538 1.155 0 50 HDAA COc1cc(-c2onc(N3CCC(NS(C)(=O)=O)CC3)c2C(=O)O)ccc1F 1704312657 HEAWBSGQYFEJMZ-UHFFFAOYSA-N 413.427 1.706 0 50 HDAA CC(C)c1cc(C(=O)N2C[C@@H]3CN(Cc4ccns4)C[C@@]3(CO)C2)nc(N)n1 1772808655 XHPIXFCWTNFCBX-DJJJIMSYSA-N 402.524 1.205 0 50 HDAA O=C(Cn1cccnc1=O)N1CCC[C@]2(CCc3c(O)nc(-c4cccnc4)nc32)C1 1857705023 OVLWWHLUCLFWPY-QFIPXVFZSA-N 418.457 1.308 0 50 HDAA CC(=O)N1CC(=O)N2[C@@H](C[C@H](C(=O)NCc3ccnc(C)c3)[C@@H]2c2ccccc2)C1 1857740326 NNLYGZWDIJJJLT-ONTIZHBOSA-N 406.486 1.827 0 50 HDAA NC(=O)CN=c1[nH]c(-c2cccnc2)nc2c1CC[C@@]21CCCN(Cc2cnc[nH]2)C1 1875251457 MCJWCGCKXXATNE-JOCHJYFZSA-N 418.505 1.061 0 50 HDAA O=C(N[C@@H]1CCCCCN(C(=O)[C@@H]2CCCS2(=O)=O)C1)[C@@H]1CNc2ccccc21 1875344186 GWPPCVXPZNFVPK-SUMDDJOVSA-N 419.547 1.660 0 50 HDAA O=C(c1cc(O)ncn1)N1CC[C@H]([C@@H]2CCCN2C(=O)c2ccc3nn[nH]c3c2)C1 1875360620 JULGCVLSRGXDCX-GUYCJALGSA-N 407.434 1.220 0 50 HDAA O=C1CC[C@H](N2Cc3ccc(NC(=O)c4cc5nn[nH]c5cc4F)cc3C2=O)C(=O)N1 2325895520 CKUGNKILHZNVDE-INIZCTEOSA-N 422.376 1.110 0 50 HDAA Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)NC[C@@H](Cc1ccccc1F)c1ccccc1 4770946 QBACRFPDTDVCRK-MRXNPFEDSA-N 417.462 1.816 0 50 HDAA O=C(C[C@H]1C(=O)NCCN1CCc1ccccc1)NCc1ccc(-n2cccn2)cc1 11817766 QGICVPSUPJBEDP-QFIPXVFZSA-N 417.513 1.922 0 50 HDAA COC(=O)CC[C@H]1CN(Cc2cc(OC)c(O)c(OC)c2)CC[C@H]1N1CCOCC1 14992645 UNBMJKNDSOOFAY-ZWKOTPCHSA-N 422.522 1.885 0 50 HDAA CO[C@@H](C(=O)N1CCc2nnc(CNC(=O)c3ccccc3)n2CC1)c1ccccc1 15000741 NIDCVXITPJITBK-OAQYLSRUSA-N 419.485 1.981 0 50 HDAA O=C(CN1C(=O)CSC1=O)N1CCC[C@H](N2CCN(c3ccccc3)CC2)C1 55576188 OYJXUBFTBXOZOS-KRWDZBQOSA-N 402.520 1.495 0 50 HDAA CN(CCc1cnn(C)c1)C(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(Cc4ccc(F)cc4)C(=O)[C@H]13)O2 77406949 OCACXMJZMSKDIN-MXBUBSDBSA-N 424.476 1.542 0 50 HDAA CN(Cc1ncc[nH]1)C(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(CCOc4ccccc4)C(=O)[C@@H]13)O2 77485742 SRYSSPAQARYIHB-UYZIEWPDSA-N 408.458 1.229 0 50 HDAA COc1ccc(-c2ccc3nnc(CNC(=O)CNC(=O)c4ccccc4)n3n2)cc1 169778545 VYUHOCICFQYYLS-UHFFFAOYSA-N 416.441 1.846 0 50 HDAA O=C(NCCN1CCOCC1)c1ccc2c(c1)CN(Cc1ccccc1)C(=O)CO2 263618824 VSFRRYAETZTGPX-UHFFFAOYSA-N 409.486 1.670 0 50 HDAA Cc1nc(CC(=O)NC[C@H]2CN(CC3CCN(CC4CC4)CC3)C(=O)CO2)cs1 299760378 QRZOKYHBDWKDFE-IBGZPJMESA-N 420.579 1.460 0 50 HDAA CCc1noc(C)c1CN1CCC[C@@H](n2ncc(N3CCN(C)CC3)cc2=O)C1 328607386 WAPINHMZLYCRGS-QGZVFWFLSA-N 400.527 1.691 0 50 HDAA O=C1CC[C@@H](CN(Cc2cccnc2)S(=O)(=O)CCOc2ccccc2F)N1 952864172 IYUXMFTXHZBQTD-INIZCTEOSA-N 407.467 1.710 0 50 HDAA O=C([C@H]1CCCCN1C(=O)c1ccc(O)nn1)N1CC[C@]2(C1)C(=O)Nc1ccccc12 1255296444 MAFSAVNKGLFAPF-VGOFRKELSA-N 421.457 1.299 0 50 HDAA O=C(c1ccncc1F)N1CCC2(CCc3c(O)nc(N4CCOCC4)nc32)CC1 1857719432 KZMLTNQBAODZTO-UHFFFAOYSA-N 413.453 1.673 0 50 HDAA CC(C)[C@@H]1CO[C@@]23CCN(C(=O)Cc4ccc(S(C)(=O)=O)cc4)[C@@H]2CC(=O)N13 1857731555 VGDJVAKBKWUQII-QKLQHJQFSA-N 406.504 1.217 0 50 HDAA NC(=O)NC(=O)[C@H](OC(=O)CCC(=O)N1CCOc2ccccc21)c1ccccc1 1875257237 FHOGDELKVMRIGU-LJQANCHMSA-N 411.414 1.672 0 50 HDAA O=C1[C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@@H]2C(=O)N1c1ccc2c(c1)OCO2 2104458 BIFWRLIMBVQLOC-HZNUMKHLSA-N 417.421 1.847 0 50 HDAA biogenic COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NCCCn2ccnc2C)cc1C 11936069 SMWPXAVYTGJCOA-LJQANCHMSA-N 413.522 1.406 0 50 HDAA COC(=O)C1CCN(C[C@@H](O)COc2cccc(CNCc3cccnc3)c2)CC1 12318727 ASLJZVXOYKQVGJ-OAQYLSRUSA-N 413.518 1.996 0 50 HDAA Cc1cccnc1CN1CCN(Cc2cnc(S(C)(=O)=O)n2CC(C)C)CC1 19841989 IULZMULMQISCMQ-UHFFFAOYSA-N 405.568 1.964 0 50 HDAA COc1ccc(CN(C)Cc2ccoc2)cc1OC[C@H](O)CN1CCN(C)CC1 95516814 ZUZJTPHTQDZNMF-HXUWFJFHSA-N 403.523 1.907 0 50 HDAA CC(=O)N1CCC(C(=O)N2CCC3(CC2)NC(=O)N(c2cccc(Cl)c2)N3)CC1 169764142 DDMVZCPRGCIQLM-UHFFFAOYSA-N 419.913 1.951 0 50 HDAA COC(=O)c1ccc(NC(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)c(N(C)C)c1 170612037 ZKDQBCNXYUHSLF-KRWDZBQOSA-N 404.467 1.394 0 50 HDAA COCCN1C(=O)C[C@](CC(=O)N2CCC[C@H](OC)C2)(c2cccc(OC)c2)C1=O 299766168 CCBAWMCDHSXMNR-PGRDOPGGSA-N 418.490 1.366 0 50 HDAA NC(=O)COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)c3ccccn3)C2)cc1 952860172 HCLWUBSILPFKKV-AWEZNQCLSA-N 403.460 1.229 0 50 HDAA O=C(CSc1nc(O)c2c3c(sc2n1)CCCC3)N1CC[C@@H](O)[C@@H](CO)C1 1529151881 GPYYEVYECJVBGG-ZYHUDNBSSA-N 409.533 1.570 0 50 HDAA COc1ccccc1-c1noc(CCC(=O)N2C[C@@H]3COCC[C@]3(C(=O)O)C2)n1 1772700791 DYEDDVZIJMGNEB-XCLFUZPHSA-N 401.419 1.628 0 50 HDAA CN(C)C[C@@]12CN(C(=O)CCc3ccsc3)C[C@H]1CN(C(=O)Cn1cccn1)C2 1772708819 CIYRIEITFDDROE-RXVVDRJESA-N 415.563 1.426 0 50 HDAA CC(=O)NCCCC(=O)N1CCO[C@@H](CN2CCC(O)CC2)[C@@H]1c1ccccc1 1857717002 HYJGJHKDDQHQGQ-UNMCSNQZSA-N 403.523 1.328 0 50 HDAA CC(C)=CCN1C[C@@H](O)[C@]2(C1)[C@H](c1ccccc1)[C@H]2CNC(=O)CN1CCOC1=O 2100473763 ZZGVZKLZIXHZBU-LUBSMZHTSA-N 413.518 1.598 0 50 HDAA Cc1nc2nc(=NC(=O)c3coc(CN4CCOCC4)c3)[nH]n2c(O)c1CC(C)C 2100537930 XZAJTCQUTFEDIF-UHFFFAOYSA-N 414.466 1.436 0 50 HDAA O=C1NCCN(C(=O)[C@H]2C[C@H]2C(=O)N2CCNC(=O)c3ccccc32)c2ccccc21 2325748491 GVKGNOWWNDLAHQ-CALCHBBNSA-N 418.453 1.176 0 50 HDAA COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2ccc(NS(C)(=O)=O)cc2)c1 1062103 FDIQJDKYXMWNEJ-UHFFFAOYSA-N 406.416 1.884 0 50 HDAA Cc1ccc(C(=O)N[C@H]2CCS(=O)(=O)C2)cc1S(=O)(=O)N1CCCCCC1 4318262 ANFMAYJIQVVXFB-INIZCTEOSA-N 414.549 1.477 0 50 HDAA Cn1ccnc1SCC(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 6229136 MIJCJFKSSXOXNR-UHFFFAOYSA-N 404.477 1.742 0 50 HDAA O=S(=O)(CC1CC1)c1ncc(CN2CCC(CCO)CC2)n1C[C@@H]1CCCO1 11663937 DJWPTLIOYBOIJM-IBGZPJMESA-N 411.568 1.840 0 50 HDAA COc1ccc(F)c(CN2CCC[C@](O)(CN3CCC4(CC3)OCCO4)C2=O)c1 12574591 VSJHQLATYBZOIH-FQEVSTJZSA-N 408.470 1.527 0 50 HDAA COC(=O)C1CCN(C[C@H](O)COc2cccc(CN(C)C3CCOCC3)c2)CC1 15066392 YBAHOJQFPCWSGA-NRFANRHFSA-N 420.550 1.922 0 50 HDAA O=C(NCc1ccc(F)cc1)N1CCC(n2cc(CN3CCNCC3)nn2)CC1 23398555 QBAGDQCGIOZNGF-UHFFFAOYSA-N 401.490 1.369 0 50 HDAA COCCn1c(CN2CCC(C(=O)OC)CC2)cnc1S(=O)(=O)CC(C)(C)C 55308240 UKDTUQNENYZRJA-UHFFFAOYSA-N 415.556 1.734 0 50 HDAA Cc1ccc(CN2CCN(C(=O)C[C@H]3C(=O)NCCN3Cc3ccoc3)CC2=O)cc1 55575351 RJJZORDSUIPHIX-FQEVSTJZSA-N 424.501 1.150 0 50 HDAA COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)Cc1ccc(F)cc1)CC2 95518384 ZNUAXTIXLIAFJA-UHFFFAOYSA-N 400.454 1.640 0 50 HDAA O=C(O)C[C@@H]1CN(C(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)CCO1 170672685 TZEZDMUQSUSWCS-MRXNPFEDSA-N 404.444 1.803 0 50 HDAA COCCCn1c(-c2ccc[nH]2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 253397836 WZONJJQBLJXHFU-HNNXBMFYSA-N 408.528 1.314 0 50 HDAA CC(C)CNC(=O)CN1CCC(N2C[C@@H](COc3ccc(F)cc3)OCC2=O)CC1 299764314 UESUSFDCDMZMRJ-FQEVSTJZSA-N 421.513 1.669 0 50 HDAA O=C(NC[C@H]1CN(C2CCN(C3CCC3)CC2)C(=O)CO1)c1cc(F)ccc1F 299786269 SGNFTEUEDFFQRM-KRWDZBQOSA-N 407.461 1.939 0 50 HDAA CN(C(=O)c1ccc(S(=O)(=O)N2C[C@@H]3C[C@H]4C[C@H]3[C@H]2[C@H]4O)cc1)c1ccccn1 328599471 SGISGRRYVDJQST-QHOFPYNOSA-N 413.499 1.748 0 50 HDAA COc1ccc(N2C(=O)N[C@H](CC(=O)N3CC[C@]4(O)CCCC[C@@H]4C3)C2=O)cc1 409415183 WHFFAVWPRCHMJC-SOIKWTOOSA-N 401.463 1.664 0 50 HDAA COC(=O)[C@H]1C[C@H]2CN(C(=O)c3c[nH]c(=N)s3)CC(=O)N2[C@H]1c1ccccc1 1857740454 OKHIOBISHVRMCA-XEZPLFJOSA-N 400.460 1.143 0 50 HDAA C[C@H]1C[C@@H](C)CN(CCNC(=O)COCC(=O)NCCN2C[C@@H](C)C[C@@H](C)C2)C1 2325721773 YYYIHYFPRJSGKB-FGYAAKKASA-N 410.603 1.191 0 50 HDAA CCOc1ccc(CN2CCNC(=O)[C@H]2CC(=O)N(C)Cc2nonc2C)cc1 11947904 BYJLFJAPFXVGSC-GOSISDBHSA-N 401.467 1.126 0 50 HDAA COc1ccc(C(=O)NCCn2cc(C(=O)NCc3ccccc3)nn2)cc1OC 12135337 BJKRLCHVEIEUHY-UHFFFAOYSA-N 409.446 1.655 0 50 HDAA O=C(c1cn(CCN2CCCCC2)nn1)N1CCN(c2nc3ccccc3o2)CC1 12313745 KQGUYMVNRZXRJG-UHFFFAOYSA-N 409.494 1.868 0 50 HDAA Cn1c(=O)c2c(nc(OC[C@H]3CCCCO3)n2Cc2ccc(F)cc2)n(C)c1=O 16448176 RHZNBPAXVIJRSR-OAHLLOKOSA-N 402.426 1.569 0 50 HDAA Cc1ccc(-c2noc(CNC(=O)[C@@H]3CCCN(S(=O)(=O)N(C)C)C3)n2)cc1 67604715 FAWYNKLZCUEDHQ-OAHLLOKOSA-N 407.496 1.180 0 50 HDAA CCN1CCCN(C(=O)N(c2ccc(OC)cc2)[C@H]2CCS(=O)(=O)C2)CC1=O 170616171 KUQZDBNZHNCHGW-INIZCTEOSA-N 409.508 1.363 0 50 HDAA Cc1nnnn1[C@H](Cc1cccc(F)c1)C(=O)N1CCCN(C[C@H]2CCCO2)CC1 252452343 DCCVNCSKNWXBNJ-WOJBJXKFSA-N 416.501 1.618 0 50 HDAA C[C@H](C(=O)N1CCC[C@@H](n2ncc(N3CCN(C)CC3)cc2=O)C1)c1ccccc1 328602552 CATSCHSKTQFDEJ-AZUAARDMSA-N 409.534 1.962 0 50 HDAA Cc1cc(-c2ccc(S(=O)(=O)N3CCN(c4ncccc4C(N)=O)CC3)o2)on1 952989204 CGTKJDKOOIHLLZ-UHFFFAOYSA-N 417.447 1.248 0 50 HDAA NS(=O)(=O)c1ccc(CCCN2C(=O)NC[C@@H](Cc3ccccc3)C2=O)cc1 1875290001 FEONAWSZGUWXNF-QGZVFWFLSA-N 401.488 1.677 0 50 HDAA COc1ccc([C@H]2NC(=O)CO[C@@H]2C(=O)NCc2cc(C3CC3)n[nH]2)cc1OC 2100556023 BMYRHZNRYYPZMC-MOPGFXCFSA-N 400.435 1.177 0 50 HDAA O=C1CC[C@H](N2Cc3c(C(=O)N4CC(Oc5ccccc5)C4)cccc3C2=O)C(=O)N1 2325886843 LJYXDHISPTVKEX-IBGZPJMESA-N 419.437 1.351 0 50 HDAA COC(=O)CCCC(=O)N1CCC[C@H](CNS(=O)(=O)c2ccc(OC)cc2)C1 12439141 ZWDWKSVJKFPWEJ-OAHLLOKOSA-N 412.508 1.555 0 50 HDAA CC(C)CC(=O)C(=O)N1CCC(N2CCC(C(=O)NC[C@@H]3CCCO3)CC2)CC1 14968790 LEONRDVYPGZXRS-IBGZPJMESA-N 407.555 1.600 0 50 HDAA O=C([C@@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1)N1CCOCC1 16649122 HQSNJBMZXOGZGX-IBGZPJMESA-N 402.472 1.643 0 50 HDAA COC(=O)CN(C)C(=O)c1cccc(OC2CCN(C3CCN(C)CC3)CC2)c1 19770390 WVTFUKRWGCIUQQ-UHFFFAOYSA-N 403.523 1.869 0 50 HDAA C[C@@H]1CN(CC(=O)NC[C@H](c2cccnc2)N2CCOCC2)Cc2ccccc2O1 20138619 NMSVSULXQVDDIK-WIYYLYMNSA-N 410.518 1.854 0 50 HDAA COc1cccc(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N(C)Cc3cc[nH]n3)[C@@H]4C2=O)c1 77407355 HOEWSTYXLQNHQD-VWNVYAMZSA-N 408.458 1.359 0 50 HDAA CN(Cc1cc(C2CC2)on1)C(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(Cc4cccnc4)C(=O)[C@@H]13)O2 77422702 VXRXNZOQERKOAZ-YPIYEQTHSA-N 420.469 1.888 0 50 HDAA CC[C@@H](OC)C(=O)N1CCc2ccc(S(=O)(=O)Nc3nnc(C)s3)cc2C1 77423896 ZMXXOCJWOKMHPS-OAHLLOKOSA-N 410.521 1.957 0 50 HDAA O=C(NCCOc1ccccc1)c1cccc(S(=O)(=O)NC[C@H]2CCOC2)c1 95375207 WWFOFEHVNTZVGJ-MRXNPFEDSA-N 404.488 1.810 0 50 HDAA CNc1nc2c(c(C(=O)N3CCCC3)n1)CN(C(=O)[C@@H]1CC(C(C)C)=NO1)CC2 95390293 UFMCOHPTWIQSCJ-INIZCTEOSA-N 400.483 1.440 0 50 HDAA COc1ccc(CCNC(=O)[C@@H]2[C@H]3C=C[C@@]4(CN(Cc5ccco5)C(=O)[C@H]24)O3)cc1 137122281 OGMHKZMTPVWMHG-UGTOYMOASA-N 408.454 1.929 0 50 HDAA CCOC(=O)N1CCN(C(=O)c2nnn3c2CO[C@H](c2ccc(OC)cc2)C3)CC1 263615043 AGOCUCLJNUCDFR-KRWDZBQOSA-N 415.450 1.473 0 50 HDAA CC[C@@H]1CC[C@@H](C(=O)NC[C@H]2CN(S(=O)(=O)c3ccccc3)[C@H]3CCN2C3)O1 299754297 NCPPDDMLDMKOLQ-BMFAXAFESA-N 407.536 1.208 0 50 HDAA O=C(CCc1cc(Cl)no1)N1C[C@H]2CN(C(=O)c3cncc(F)c3)C[C@]2(CO)C1 1772709845 NVEMKZJGOVBOBS-DJJJIMSYSA-N 422.844 1.388 0 50 HDAA COCCN1CC(=O)N2[C@H](c3ccc(OC)cc3)[C@H](C(=O)N3CCCC3)C[C@@H]2C1 1857689499 FYFZFADEOPHMBB-YFVAEKQCSA-N 401.507 1.538 0 50 HDAA Cc1c(C(=O)N2CC[C@@]34O[C@@H](c5ccccc5)CN3C(=O)C[C@@H]24)cnc2ccnn12 1857740429 IORPVWBDBMQHMK-HMFYCAOWSA-N 403.442 1.952 0 50 HDAA CN(C)Cc1ccc(-c2ccc(C(=O)N3CCS(=O)(=O)CC3)cc2)c(CO)c1 2356168800 OCCXJKVXEUJQIQ-UHFFFAOYSA-N 402.516 1.778 0 50 HDAA CCOC(=O)N1CCC(NC(=O)c2cccc(N3C(=O)[C@@H](C)CS3(=O)=O)c2)CC1 12003065 FPXVAAMOCZJQKB-ZDUSSCGKSA-N 423.491 1.350 0 50 HDAA CCCCN1CCN([C@@H](C(=O)NC2CCN(C)CC2)c2ccccc2)C(=O)C1=O 77566415 DGDKZQZXOJPGNK-LJQANCHMSA-N 400.523 1.409 0 50 HDAA CC[C@H](CO)N1CCN(C(=O)c2csc(CCNC(=O)OC(C)(C)C)n2)CC1 170610356 OIJIMMOBSMXXAQ-CQSZACIVSA-N 412.556 1.739 0 50 HDAA CCN1C(=O)[C@@H]2[C@@H](C(=O)c3ccc(Br)cc3)N3N=CC=C[C@H]3[C@@H]2C1=O 254318961 LJXBTSPSWGZQCB-AJNGGQMLSA-N 402.248 1.861 0 50 HDAA O=C(c1cscn1)N1CCC2(CC1)CN(C(=O)[C@@H](O)c1ccccc1)CCO2 827653568 FDEJFFVJBXFOAJ-KRWDZBQOSA-N 401.488 1.710 0 50 HDAA Cn1ccnc1CCN1CCC2(CC1)OCC[C@@](C)(NC(=O)c1ccncc1)[C@@H]2O 1772708243 AWFHLLJBGGJGQL-LEWJYISDSA-N 413.522 1.162 0 50 HDAA Cc1cc(C(=O)N[C@@H]2CN3CCCC[C@]3(C(=O)NCCc3cnn[nH]3)C2)c(C)o1 1857687823 GRYPRNFONSJSEL-OXJNMPFZSA-N 400.483 1.100 0 50 HDAA C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3nc(C4CC4)n[nH]3)cc2)C[C@@H](C)O1 1875332241 NNFXJPCDYWCOMB-TXEJJXNPSA-N 405.480 1.732 0 50 HDAA COc1ccnc(-c2cn(-c3ccc4c(c3)CN([C@H]3CCC(=O)NC3=O)C4=O)nn2)c1 1875355508 LPKCEOKKNUYXDP-SFHVURJKSA-N 418.413 1.099 0 50 HDAA Cc1cc(C(=O)N2CC[C@@]3(CCN(C(=O)C[C@@H]4CCCNC(=O)C4)C3)C2)sn1 1875361554 VIUUESAKUSMFPH-FOIQADDNSA-N 404.536 1.823 0 50 HDAA O=C(C[C@H]1CCNC1=O)NC1CCC(NC(=O)c2snc3ccccc23)CC1 1875362123 RWZRCIPWKMZIRQ-IYXRBSQSSA-N 400.504 1.980 0 50 HDAA Cn1ncc2ncc(C(=O)N3CCCCN4CCCC[C@H]4CC(=O)NCCC3)cc21 2100533697 WECXCTOILAUGMQ-SFHVURJKSA-N 412.538 1.955 0 50 HDAA Cc1cn(-c2ncccc2F)[nH]c1=NC(=O)NCCS(=O)(=O)NC1CCCCC1 2325750254 KHKVDRGQDUKISZ-UHFFFAOYSA-N 424.502 1.510 0 50 HDAA O=C(NCCNC(=O)c1cc2c(s1)C1(CCNCC1)OCC2)c1ccncc1 2356146825 XDNGPMGXUAQVCM-UHFFFAOYSA-N 400.504 1.454 0 50 HDAA CN(C)c1ccc(CN2CCC3(CCc4c(O)nc(N5CCOCC5)nc43)CC2)cn1 2356151429 IJLAGBWKFXJYTK-UHFFFAOYSA-N 424.549 1.960 0 50 HDAA COc1cc(C(=O)OCCNC2=NS(=O)(=O)c3ccccc32)cc(OC)c1OC 2485149 UILHDPOTIMLZBJ-UHFFFAOYSA-N 420.443 1.608 0 50 HDAA CS(=O)(=O)Nc1ccccc1C(=O)Nc1ccccc1C(=O)N1CCOCC1 5050279 QQVJGMHGOLOGQI-UHFFFAOYSA-N 403.460 1.783 0 50 HDAA COc1ccc(CCn2ccc3nc(N4CCN(C)CC4)ncc3c2=O)cc1OC 9290377 YYRYGPCVZTVLML-UHFFFAOYSA-N 409.490 1.803 0 50 HDAA Cc1cccc(N2CCN(C(=O)C3CCN(S(=O)(=O)N(C)C)CC3)CC2)c1C 13678390 PEIJVZLNTUNXBX-UHFFFAOYSA-N 408.568 1.470 0 50 HDAA O=C1NCCN(Cc2ccc(F)c(F)c2)[C@@H]1CC(=O)N1CCN(CC2CC2)CC1 15067295 DPKOCNSQEQNJOY-LJQANCHMSA-N 406.477 1.210 0 50 HDAA CCn1cc(CN2CCC(N3CCC(C(=O)NC[C@H]4CCCO4)CC3)CC2)cn1 15069839 VRGZFQDKCCHISM-OAQYLSRUSA-N 403.571 1.875 0 50 HDAA CCN(CC)[C@H]1CC(=O)N(c2ccc(N3C(=O)C[C@@H](N(CC)CC)C3=O)cc2)C1=O 17166611 DCSAANTUNCFNMM-HDICACEKSA-N 414.506 1.634 0 50 HDAA CCNC(=O)c1nn(Cc2cccc(OC)c2)c2c1CN(C(=O)CSC)CC2 19112362 ARAGUWWFNVZGPT-UHFFFAOYSA-N 402.520 1.937 0 50 HDAA CCOCCCNCc1ccc(OC[C@@H](O)CN2CCN(CC)CC2)c(OC)c1 20910573 KZUXDRHEGVQDLZ-FQEVSTJZSA-N 409.571 1.589 0 50 HDAA CCOC(=O)c1c(NC(=O)CN2CCN(C(=O)[C@H]3CCCO3)CC2)sc(C)c1C 35898050 UVSOKELXLAWYMY-OAHLLOKOSA-N 423.535 1.803 0 50 HDAA CCCS(=O)(=O)c1ncc(CN2CCC(C(=O)OC)CC2)n1C[C@@H]1CCCO1 55119264 SOXQAOFHFXAOGY-KRWDZBQOSA-N 413.540 1.631 0 50 HDAA Cc1cccnc1CCNC(=O)C[C@H]1C(=O)NCCN1Cc1cccc(F)c1F 55153152 BWPGSIVWIVUCHL-SFHVURJKSA-N 402.445 1.718 0 50 HDAA Cc1ccc(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N(C)Cc3cc[nH]n3)[C@@H]4C2=O)cc1C 77554768 CFPOCQPBPGFGPT-GJPOJAMWSA-N 406.486 1.967 0 50 HDAA CN(C)S(=O)(=O)CCNC(=O)C[C@@H](c1ccccc1)c1ccc2c(c1)OCO2 95500938 KFXIZQVVFFLTDX-KRWDZBQOSA-N 404.488 1.945 0 50 HDAA O=C1[C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@H]2C(=O)N1c1ccc2c(c1)OCO2 137854087 BIFWRLIMBVQLOC-LEWJJULVSA-N 417.421 1.847 0 50 HDAA COc1ccc([C@@H]2N[C@H](C(=O)O)[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]23)c(OC)c1 239328974 JYDYUWDJAHMVGI-MHORFTMASA-N 414.389 1.746 0 50 HDAA C[C@H](C(=O)N1CCS(=O)(=O)C2(CCCCC2)C1)n1nnc(-c2ccccc2)n1 440922023 WZDUHJXKKFPWCO-OAHLLOKOSA-N 403.508 1.861 0 50 HDAA O=C1COc2ccc(S(=O)(=O)N(Cc3ccccn3)C[C@H]3CCCO3)cc2N1 952982018 NMAVWWMLPVPIJJ-OAHLLOKOSA-N 403.460 1.782 0 50 HDAA Nc1nc2c(c(C(=O)NC3CCN(S(=O)(=O)c4ccccc4)CC3)n1)CCCC2 1506408733 WLYXZZQLNWEBPA-UHFFFAOYSA-N 415.519 1.521 0 50 HDAA Cc1cc(=O)cc(C(=O)N2C[C@@H]3CN(C(=O)c4cc(C)oc4C)C[C@@]3(CO)C2)o1 1772712333 PCDMPKHDVSBSDS-BTYIYWSLSA-N 400.431 1.365 0 50 HDAA Cc1ccc(CN2C[C@H]3CN(C(=O)C4=NNC(=O)CC4)C[C@@]3(CCC(=O)O)C2)s1 1772808876 DGPBJCYTUVJFRF-VBKZILBWSA-N 418.519 1.448 0 50 HDAA Cc1nc(CNC(=O)[C@@]23CCCN(C(=O)CC4=CCCC4)[C@H]2CN(C)CC3)n[nH]1 1775981514 LSXABSYAQLZWII-LAUBAEHRSA-N 400.527 1.543 0 50 HDAA O=C(c1cnccn1)N1CCC(N2C[C@H](O)[C@]3(C2)[C@H](c2ccccc2)[C@H]3CO)CC1 1857736873 ZTZDTQJDQKMSIO-ZVXPMLRVSA-N 408.502 1.150 0 50 HDAA N=c1nc(N2CC[C@H](O)[C@@](CO)(Cc3ccc(F)cc3)C2)cc(N2CCCC2)[nH]1 1857737558 SIIPNSYVNXRHSA-UWJYYQICSA-N 401.486 1.421 0 50 HDAA CNS(=O)(=O)c1ccc([C@H](C)N=c2ccc3nnc(-c4ccccn4)n3[nH]2)cc1 1875324388 WPLAYOJAEDXKGI-ZDUSSCGKSA-N 409.475 1.689 0 50 HDAA CCN1C[C@H](C(=O)N2CCCC[C@H](NC(=O)c3cccc(CO)c3)C2)CCC1=O 2325864699 XHJIKBBENOCURJ-MOPGFXCFSA-N 401.507 1.548 0 50 HDAA CCn1ncc(Br)c1C(=O)N[C@H]1C(=O)N2C(C(=O)O)=C(C)CS[C@H]12 2747682 QHYWBFAZHAEHPX-ISVAXAHUSA-N 415.269 1.038 0 50 HDAA CN1CCC(N2CCC(Oc3cccc(C(=O)NC[C@H]4COCCO4)c3)CC2)CC1 12715969 GCUVDHRCTGHXPW-QFIPXVFZSA-N 417.550 1.769 0 50 HDAA COc1cc(CNCc2cnn(C)c2C)ccc1OC[C@@H](O)CN1CCSCC1 15076450 WRNGPSPCQBMGGN-IBGZPJMESA-N 420.579 1.815 0 50 HDAA CCN(CC)C[C@H](O)COc1cc(CNCCN2CCC(O)CC2)ccc1OC 20452701 NHJQOZOXBQJRPL-FQEVSTJZSA-N 409.571 1.323 0 50 HDAA Cc1ccc(S(=O)(=O)N2CCC(NC(=O)c3nn(C)cc3C(=O)O)CC2)cc1 20614842 FKNMECMXHKQNJG-UHFFFAOYSA-N 406.464 1.010 0 50 HDAA CCOC(=O)c1ccc(NC(=O)C[C@H]2SC(=O)N(CN3CCOCC3)C2=O)cc1 22215688 CRGCVFQOBXUDCN-OAHLLOKOSA-N 421.475 1.546 0 50 HDAA COc1ccc(CNCCc2ccco2)cc1OC[C@@H](O)CN1CCCN(C)CC1 23375090 WIBRQKCZKMEIDH-FQEVSTJZSA-N 417.550 1.998 0 50 HDAA O=C1CN(C(=O)CCCC(=O)N2CCC(c3noc4cc(F)ccc34)CC2)CCN1 71376156 FXLNYBPZVFMCOP-UHFFFAOYSA-N 416.453 1.802 0 50 HDAA Cc1cccc(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N(C)Cc3nc(C)c[nH]3)[C@H]4C2=O)c1 77298616 HGHTWODDPMXQEX-UDSSINMLSA-N 406.486 1.967 0 50 HDAA CCOC(=O)[C@@H]1CCN(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)c2ccccc21 170602752 LVUHACFWZLALTH-QGZVFWFLSA-N 417.487 1.830 0 50 HDAA C[C@@H]1CO[C@@H](CO)CN1C(=O)c1c[nH]nc1[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 225608026 YOPJPJJQLWEHLH-RBSFLKMASA-N 408.499 1.746 0 50 HDAA O=C1CO[C@@H](COc2ccc(F)cc2)CN1C1CCN(CCN2CCOCC2)CC1 299775417 JQFWYAUWGRMQBC-OAQYLSRUSA-N 421.513 1.229 0 50 HDAA Cc1cc(=NC(=O)CCc2nc(-c3ccccc3)no2)n([C@H]2CCS(=O)(=O)C2)[nH]1 334159156 IPRBSSBBFHXAME-HNNXBMFYSA-N 415.475 1.594 0 50 HDAA Cc1sc2nc(CCNC(=O)[C@H]3[C@@H]4C=C[C@@]5(CN(C)C(=O)[C@@H]35)O4)nc(O)c2c1C 670436347 MNPVDQZEGKNZJY-GSLSEBINSA-N 414.487 1.084 0 50 HDAA Cn1ccnc1[C@@]1(CNC(=O)c2cc3c(Cl)cc(Cl)cc3[nH]2)NC(=O)NC1=O 1775985563 VGUBRTSOPMLPCV-QGZVFWFLSA-N 421.244 1.673 0 50 HDAA O=C(O)[C@]12COCC[C@H]1CN(Cc1ccc(OCCCN3CCOCC3)cc1)C2 1857669230 KBEMZLQPRLJPGZ-SIKLNZKXSA-N 404.507 1.711 0 50 HDAA Cc1nn(CC(=O)N[C@@H]2[C@H]3CC[C@@H]2CN(Cc2cnc[nH]2)C3)c(=O)c2ccccc12 1857709723 NOMNZLJBRXNCND-JIPZTSHUSA-N 406.490 1.455 0 50 HDAA COC(=O)c1cc2c(=N[C@H](C)CCNC(=O)[C@H]3CC(C)(C)CN3C)nc[nH]c2[nH]1 1875327907 PHAKJIAMWUBDRG-IUODEOHRSA-N 402.499 1.203 0 50 HDAA Cn1ccn2ncc(C(=O)N3CCCCNC(=O)C[C@@H]4CCCCN4CCC3)c12 2100533244 HITGAWFIAYPCHH-KRWDZBQOSA-N 400.527 1.660 0 50 HDAA CCOC(=O)Cn1c(=O)c2c(nc3n(-c4cccc(C)c4)c(C)c(C)n23)n(C)c1=O 4250755 HQBRBSBOZZQZNT-UHFFFAOYSA-N 409.446 1.627 0 50 HDAA C[C@@H]1Cc2cc(S(=O)(=O)N3CCOCC3)ccc2N1S(=O)(=O)c1ccccc1 10119288 YKZVCCHVSKZGNN-OAHLLOKOSA-N 422.528 1.847 0 50 HDAA O=C(CCn1cnnn1)N1CCC[C@@H](CNC(=O)C2(c3ccc(Cl)cc3)CC2)C1 11879550 JRLDYDARQOOATR-HNNXBMFYSA-N 416.913 1.803 0 50 HDAA CN(Cc1cnc(S(C)(=O)=O)n1C[C@H]1CCCO1)Cc1cnc2ccccn12 12196954 STALQSSDYCTKIR-QGZVFWFLSA-N 403.508 1.745 0 50 HDAA Cc1cccc(C(=O)N2CCN3C(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H]3C2)c1 14754951 AEXPJRDYHQMMLU-LEWJYISDSA-N 416.481 1.870 0 50 HDAA COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NC(C2CC2)C2CC2)c(OC)c1 14971562 PIPRHUZBQKPHJG-GOSISDBHSA-N 401.507 1.699 0 50 HDAA Cn1ccc(CC(=O)N2CC[C@@H](N3CCN(CCc4ccccc4)CC3)[C@H](O)C2)c1 19732527 WTNGNFJHMKENES-DHIUTWEWSA-N 410.562 1.390 0 50 HDAA Cn1c(CCNC(=O)c2cccc(Cl)c2)nnc1SCCN1CCOCC1 20998303 JXDIDCGJJWJVKI-UHFFFAOYSA-N 409.943 1.865 0 50 HDAA CCN1CCN(CCN2CC3(CCN(C(=O)c4ccccn4)CC3)OC2=O)CC1 77320882 VOYGLUGJCBGENO-UHFFFAOYSA-N 401.511 1.146 0 50 HDAA Cc1ccc(C)c(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N(C)Cc3nccn3C)[C@@H]4C2=O)c1 77378333 ZJTXYMOGGYZZGP-WWOUZDQESA-N 420.513 1.978 0 50 HDAA COC(=O)N[C@H](C)C(=O)N1CCC2(CCC(=O)N(CCc3ccccn3)C2)CC1 91270429 XLSJMDJZQMGLSP-MRXNPFEDSA-N 402.495 1.600 0 50 HDAA Cc1cc(OCc2ccccc2)ccc1NC(=O)C(=O)Nc1ccn(CC(N)=O)n1 225854411 SXCBDWFCXHULJH-UHFFFAOYSA-N 407.430 1.833 0 50 HDAA Cn1nnc(-c2ccc(NC(=O)CC[C@H]3NC(=O)c4ccccc4N=C3O)cc2)n1 252549022 QPCNBEXRKKLKKZ-MRXNPFEDSA-N 405.418 1.996 0 50 HDAA Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1NC(=O)Cn1cnc2ccccc2c1=O 1529101657 JUHGCKOTYKFQFP-AWEZNQCLSA-N 415.475 1.208 0 50 HDAA Cc1nn(C)c2ncc(C(=O)O)c(N3CC[C@H](O)[C@](CO)(Cc4ccccc4)C3)c12 1529188811 DGYGIBRBGTULFF-HTAPYJJXSA-N 410.474 1.767 0 50 HDAA CC(C)(C)c1cc(=NCc2ccc3c(c2)C(=O)N([C@@H]2CCC(=O)NC2=O)C3)[nH]cn1 2325898058 QTVVWLFPDZVWDL-MRXNPFEDSA-N 407.474 1.569 0 50 HDAA CC(=O)NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 2972421 NPTWVLPDBWFWFT-UHFFFAOYSA-N 412.445 1.083 0 50 HDAA CC(C)CN1C[C@@H](OCc2ccccc2F)CN(C(=O)C2=NNC(=O)CC2)CC1=O 14542292 TUJSGDXBJYEIGS-MRXNPFEDSA-N 418.469 1.304 0 50 HDAA Cc1ccc(S(N)(=O)=O)cc1C(=O)N1C[C@@H]2c3ccccc3OC[C@]2(CO)C1 95528348 RBHVSYATBQLMJW-YLJYHZDGSA-N 402.472 1.253 0 50 HDAA COC(=O)c1ccc(NC(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)c(N(C)C)c1 170612038 ZKDQBCNXYUHSLF-QGZVFWFLSA-N 404.467 1.394 0 50 HDAA COc1cccc(C(=O)N2CCN(c3nc(NCCO)nc(NC(C)C)n3)CC2)c1 225816918 XFFJAMCLONKDAI-UHFFFAOYSA-N 415.498 1.067 0 50 HDAA COc1ccc(C(=O)NC[C@@H]2CN(C3CCN(C4CCC4)CC3)C(=O)CO2)cc1 299763017 XZBOJKORQNGPOO-HXUWFJFHSA-N 401.507 1.669 0 50 HDAA Cc1nc2cc(C(=O)NCc3nc(N)nc(N(C)C)n3)ccc2n1-c1ccccc1 426496910 LMCDUYDGOXAXPK-UHFFFAOYSA-N 402.462 2.097 0 50 HDAA CNc1cc(N2CCC[C@H]2CNS(=O)(=O)Cc2cccc(C(=O)OC)c2)ncn1 462575255 JXFZNQVLYSPNRM-INIZCTEOSA-N 419.507 1.393 0 50 HDAA C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)C(=O)CN1C(=O)CCOc2ccccc21 732068085 CRNAAZGXZRHCCN-CQSZACIVSA-N 417.487 1.669 0 50 HDAA COc1cc(C)c(C)cc1S(=O)(=O)N1CCC[C@]2(CCC(=O)N(CCO)C2)C1 1506414082 BVMIEPAEUQLFDZ-HXUWFJFHSA-N 410.536 1.698 0 50 HDAA CCc1ccccc1C(=O)N1CCCN(C(=O)CN2C(=O)NC(C)(C)C2=O)CC1 1529102138 XXUKCWGHVMAHTC-UHFFFAOYSA-N 400.479 1.254 0 50 HDAA COc1cccc(-c2noc(CCCC(=O)N3CC[C@@]45OCCN4C(=O)C[C@@H]35)n2)c1 1857732156 FDTBYHHQYNCIBL-IERDGZPVSA-N 412.446 1.628 0 50 HDAA O=C1N[C@@](NS(=O)(=O)c2ccccc2)(C(F)(F)F)C(=O)N1Cc1ccco1 2863675 QEXJEVMABLHMPP-AWEZNQCLSA-N 403.338 1.569 0 50 HDAA Cc1cn2c3c(=O)n(CCCc4ccccc4)c(=O)n(C)c3nc2n1CCN(C)C 9060270 RPJUKTILFKSWCO-UHFFFAOYSA-N 408.506 1.652 0 50 HDAA Cc1cn2c3c(=O)n(CCc4ccccc4)c(=O)n(C)c3nc2n1CCCN(C)C 11666726 RHNHMNHJPVPCLI-UHFFFAOYSA-N 408.506 1.652 0 50 HDAA COc1cc(CN2CCNC(=O)[C@@H]2CC(=O)NCc2ccncc2C)cc(OC)c1 11874560 JKGNZRQQTNGADC-FQEVSTJZSA-N 412.490 1.414 0 50 HDAA O=C1CN(C(=O)C2CCN(C3CCN(CCCc4ccccc4)CC3)CC2)CCN1 12048871 BMTCRXWSZOADEW-UHFFFAOYSA-N 412.578 1.754 0 50 HDAA Cc1noc(C)c1CO[C@H]1CN(C(=O)CCn2cccn2)CC(=O)N(CC(C)C)C1 14535950 JMNLJOPFQGWXOQ-GOSISDBHSA-N 417.510 1.790 0 50 HDAA COc1cc(OC)cc(C(=O)NC[C@H]2CCCN(C(=O)CCN3CCCO3)C2)c1 14974817 VUXQQTIZWLQNOT-MRXNPFEDSA-N 405.495 1.700 0 50 HDAA C[C@H]1CN(S(=O)(=O)c2ccc(N3C[C@H](C)O[C@H](C)C3)c3nonc23)C[C@H](C)O1 17088544 OTIHHZRHNUFEGB-CRWXNKLISA-N 410.496 1.634 0 50 HDAA COc1ccccc1C[C@H](C)N1CCN(CCn2cc(C(=O)NC(C)C)nn2)CC1 19866501 HSSOHTWBQNWZAT-SFHVURJKSA-N 414.554 1.674 0 50 HDAA COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)N2CCN(C(C)C)CC2)cc1C 20201419 FXZPBILBGNHMGM-IBGZPJMESA-N 402.539 1.247 0 50 HDAA Cc1cnc(C(=O)N2CCC[C@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)cn1 23359671 HRDJWTHTGXROOO-IBGZPJMESA-N 423.517 1.936 0 50 HDAA Cc1ccc2c(c1)[C@H](NC(=O)Cn1nnnc1CN1CCOCC1)CC(C)(C)O2 95500042 MYLJUIBGPAZPNR-MRXNPFEDSA-N 400.483 1.232 0 50 HDAA COc1ccc(N2C(=O)N[C@H](CC(=O)N3CC[C@]4(O)CCCC[C@H]4C3)C2=O)cc1 409415181 WHFFAVWPRCHMJC-AVBTWRTFSA-N 401.463 1.664 0 50 HDAA O=C1C[C@H](C(=O)N2CCN(c3nc4ccccc4o3)CC2)CN1Cc1ccccn1 606389837 LUHSUJFZUBMOAE-INIZCTEOSA-N 405.458 1.920 0 50 HDAA O=C(NC12C[C@@H]3C[C@H](C1)CC(n1ncnn1)(C3)C2)[C@H]1CC(=O)N(Cc2ccccn2)C1 827696722 RJTIKGNGJJEIEK-DFWYUHNSSA-N 421.505 1.281 0 50 HDAA CSCC[C@H](N)C(=O)N1CCN(c2cc(C)nc(-c3ccccc3O)n2)CC1 952975253 OSODTYXCLBMDJE-INIZCTEOSA-N 401.536 1.887 0 50 HDAA CN(C)C(=O)N1CC[C@@]2(O)CCN(Cc3cccc(N4CCOCC4)c3)C[C@H]2C1 1073372448 JYGRSLCRMQVXKG-UGKGYDQZSA-N 402.539 1.464 0 50 HDAA COc1cccc([C@@H]2CCN(C(=O)CN3CCN(c4ncccn4)CC3)C2)c1OC 1506424559 ASUPHZSFHMFFMS-QGZVFWFLSA-N 411.506 1.632 0 50 HDAA Cc1ccc2c(C(=O)N[C@H]3C[C@H]4CO[C@@H](CC(=O)N(C)C)CN4C3)cc(C)nc2c1 1857728831 OAHGFFBQPRTOME-BZSNNMDCSA-N 410.518 1.901 0 50 HDAA COc1cccnc1C(=O)N[C@H](C)[C@H]1CN(C(=O)C2SCCCS2)CCO1 1875359417 CQDOTSISKVCHNU-TZMCWYRMSA-N 411.549 1.632 0 50 HDAA O=C(c1cc(=O)c2cc(F)ccc2o1)N1CCN(c2ccc(-n3cccn3)nn2)CC1 2325732152 ZAUKFOXZVZDLHI-UHFFFAOYSA-N 420.404 1.870 0 50 HDAA COc1cc(CC(=O)N[C@H]2C[C@@H](NC(=O)Cc3cc(OC)no3)C23CCC3)on1 2325816601 GLWDVZXEHDXHRV-OKILXGFUSA-N 404.423 1.009 0 50 HDAA COc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N(C)c2ccc(CN)cc2)cc1 2325869177 BJIBJRLKMLIGLS-IBGZPJMESA-N 403.504 1.970 0 50 HDAA COc1cc2c(cc1OC)C1(CCN(C(=O)[C@@H]3CCc4ncnn4C3)CC1)OCC2 2356153485 JCHOTNQISRKNMB-MRXNPFEDSA-N 412.490 1.948 0 50 HDAA CC1CCN(Cc2nnnn2CC(=O)NCCCN2CCCc3ccccc32)CC1 12309010 BZAJHXQMLBBIQS-UHFFFAOYSA-N 411.554 1.864 0 50 HDAA O=C([C@@H]1CCCO1)N1CCN(c2cccc3c2C(=O)N(Cc2ccccn2)C3=O)CC1 14989931 CRFJIGUZVYZZKP-IBGZPJMESA-N 420.469 1.705 0 50 HDAA COc1cc(CN2CCN(C3CCN(C(C)=O)CC3)C[C@@H]2CCO)cc(OC)c1 19223191 ZJTRYIBEPRQIAN-FQEVSTJZSA-N 405.539 1.583 0 50 HDAA O=C(CCCn1nnnc1CN1CCOCC1)NCCCn1ccc2ccccc21 19607886 BKFKJAAZTLPEDL-UHFFFAOYSA-N 411.510 1.447 0 50 HDAA Cc1n[nH]cc1C(=O)N1CCC[C@H](N2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 20209731 CSAJHBSIZBFHIV-SFHVURJKSA-N 411.506 1.869 0 50 HDAA COCCN1CCN(C(=O)c2cccc(OC3CCN(C(=O)C4CC4)CC3)c2)CC1 20450325 FVQJBPVZTNWTMA-UHFFFAOYSA-N 415.534 1.871 0 50 HDAA CN1CCN(C(=O)COc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)CC1 20481704 WCBWWYCTZFPBBS-UHFFFAOYSA-N 407.467 1.779 0 50 HDAA Cc1cccn2c(CNCCN3CCCC[C@H]3CO)c(C(=O)N3CCOCC3)nc12 20996363 ZIHPTDVTNZTCHZ-SFHVURJKSA-N 415.538 1.052 0 50 HDAA CN(C)CCC(=O)N1CCC(N2CCC[C@@H](C(=O)NCc3ccccn3)C2)CC1 82137187 VXFRNEUCWAOEPM-GOSISDBHSA-N 401.555 1.353 0 50 HDAA CN(Cc1ccccc1)[C@@H](CNC(=O)Cn1[nH]c(=O)c2ccccc2c1=O)C1CC1 170599437 JPLUKDLANUMZGK-FQEVSTJZSA-N 406.486 1.717 0 50 HDAA COc1ccc(C(=O)N2CCC[C@H](n3ncc(N4CCN(C)CC4)cc3=O)C2)cc1 328606222 QTLCIDOIBIGCKF-SFHVURJKSA-N 411.506 1.481 0 50 HDAA O=C(CN1CCOc2ccccc2C1)NC12C[C@@H]3C[C@H](C1)CC(n1ncnn1)(C3)C2 828003627 UHSVKRRESKOGCP-RGMRCXJASA-N 408.506 1.732 0 50 HDAA CO[C@@H]1CC[C@@H]2OCCN(c3ncnc4c3ncn4CC3(CO)CCOCC3)[C@@H]2C1 888097592 KQDJHUNOTBRZPI-ZACQAIPSSA-N 417.510 1.388 0 50 HDAA Cc1cnccc1N1CCCN(S(=O)(=O)c2ccc3oc(=O)n(C)c3c2)CC1 952965220 FXWHZAPGLLLKAJ-UHFFFAOYSA-N 402.476 1.736 0 50 HDAA Cn1c(N2CCCN(c3nc4ccccc4s3)CC2)nc2c1c(O)nc(=O)n2C 1506401877 KISQXZVAHBUKGB-UHFFFAOYSA-N 411.491 1.699 0 50 HDAA COc1ccc(-c2c(C)nn(C)c2NC(=O)CN2CCN(c3ncccn3)CC2)cc1 1506422245 MWXYZFHYEMMXST-UHFFFAOYSA-N 421.505 1.955 0 50 HDAA O=C(CC1=CSC2=NCCCN12)N1C[C@H]2CN(Cc3ccccn3)C[C@@]2(CO)C1 1772814385 WHVAXSDYNJLKKR-IERDGZPVSA-N 413.547 1.374 0 50 HDAA COc1ccc(CC(=O)O)cc1S(=O)(=O)N1CCc2[nH]nc(C3CC3)c2CC1 1857667145 ZJEKBOWWNTYUDT-UHFFFAOYSA-N 405.476 1.712 0 50 HDAA O=C(N[C@@H]1CCC[C@@H](NC(=O)c2cnccn2)C1)c1cnc(-c2ccccn2)nc1 1857684831 GINUSJNDMWSQKX-HZPDHXFCSA-N 403.446 1.800 0 50 HDAA Cc1nnc(N2C[C@@H](C(=O)NC3CCN(Cc4cccnc4)CC3)CC2=O)s1 1857722929 PYDFVZXRFRWBSJ-HNNXBMFYSA-N 400.508 1.375 0 50 HDAA NC(=O)c1cc(NC2CCN(CCNC(=O)c3cc4occc4s3)CC2)ncn1 1875325764 BYDCNWKFYVQTEX-UHFFFAOYSA-N 414.491 1.690 0 50 HDAA Cn1c(SCC(=O)N2CCOCC2)nnc1-c1cc(Br)ccc1O 2887320 OVVIMWNDEFYHPG-UHFFFAOYSA-N 413.297 1.901 0 50 HDAA O=C(c1cn(C[C@@H]2CCCN(S(=O)(=O)c3cccc(F)c3)C2)nn1)N1CCCC1 12079994 XSDPETFVJGZWAW-HNNXBMFYSA-N 421.498 1.754 0 50 HDAA Cn1ccnc1C(=O)[C@H]1CCCN(C(=O)Cn2cc(NC(=O)c3ccccc3)cn2)C1 12245907 UAHCAXWQCASBHH-KRWDZBQOSA-N 420.473 1.990 0 50 HDAA CO[C@@H]1CN(CCCN2CCCC2=O)C(=O)CN(C(=O)Cc2cccc(Cl)c2)C1 14542636 IYSGCOPAVCIRJP-GOSISDBHSA-N 421.925 1.581 0 50 HDAA Cc1nn(C)cc1CN1CCc2c(c(C(=O)N[C@H](C)c3ccccc3)nn2CCO)C1 14749647 AYFVVWGYSCHIKG-MRXNPFEDSA-N 422.533 1.967 0 50 HDAA COC[C@@H](C)NC(=O)[C@@H]1CCCN(c2nc(C)c3ccc(S(C)(=O)=O)cc3n2)C1 14887141 KSMPIDZWGCRACC-UKRRQHHQSA-N 420.535 1.709 0 50 HDAA COc1ccc(CN(C)Cc2cc(C)[nH]n2)cc1OC[C@H](O)CN1CCN(C)CC1 20774532 ZCCPHYLCWJZONV-HXUWFJFHSA-N 417.554 1.346 0 50 HDAA Cc1nn(-c2ccc(N3CCOCC3)nn2)c2c1[C@@H](c1ccc(O)cc1)CC(=O)N2 65363702 DJOFMQXQZRNKNW-MRXNPFEDSA-N 406.446 1.987 0 50 HDAA CC(C)c1nc(CNC(=O)[C@H]2CCCN(C3CCN(C(=O)C4CC4)CC3)C2)no1 71747200 HYARZGWTNUTCQT-INIZCTEOSA-N 403.527 1.922 0 50 HDAA CN(Cc1cnn(C)c1)C(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(Cc4ccc(F)cc4)C(=O)[C@H]13)O2 77354083 BISNPYJVKGWVTE-WEMPKCCASA-N 410.449 1.500 0 50 HDAA CCCCN1CCN([C@H](C(=O)N2CCC(OC)CC2)c2ccccc2)C(=O)C1=O 77378901 NIQYRTJVLDGMFI-IBGZPJMESA-N 401.507 1.836 0 50 HDAA Cn1c(=O)c(=O)[nH]c2cc(CCC(=O)NCC3(CC(=O)O)CCCCC3)ccc21 218156051 BUBMDFPWYSFLCQ-UHFFFAOYSA-N 401.463 1.701 0 50 HDAA CC[C@]1(C)NC(=O)N(NC(=O)CN2CCC[C@H]2c2ccc3c(c2)OCCO3)C1=O 239351907 AALWQLQQEOJFGP-XOBRGWDASA-N 402.451 1.346 0 50 HDAA Cc1noc(CN2CCC(N3C[C@H](COc4ccc(F)cc4)OCC3=O)CC2)n1 299755976 GTSXXFGKIDOVSD-GOSISDBHSA-N 404.442 1.788 0 50 HDAA O=C(Cc1ccc(N2CCC(N3CCN(CCO)CC3)CC2)cc1)N1CCCC1 299788577 UWAPAVLTRKYFLR-UHFFFAOYSA-N 400.567 1.430 0 50 HDAA Cc1nn(Cc2ccccc2)c(C)c1[C@@H]1COCCN1C(=O)COCc1nncn1C 498514736 FPWCLVCEXLGCDV-IBGZPJMESA-N 424.505 1.793 0 50 HDAA Cc1nn(-c2ccccc2)c(C)c1[C@H]1COCCN1C(=O)C1=NN2CCCN=C2N1 952894622 SJADVPFVYNAUDX-QGZVFWFLSA-N 407.478 1.367 0 50 HDAA C[C@@]1(c2ccc(C(=O)NCc3ccc(CN4CCNC4=O)cc3)cc2)NC(=O)NC1=O 1454776104 MOPXIHOXOIFBSI-QFIPXVFZSA-N 421.457 1.196 0 50 HDAA CN(Cc1ccc2nsnc2c1)C(=O)C1CCN([C@H]2CCS(=O)(=O)C2)CC1 1506404248 WEDIUFFPVIXTMG-HNNXBMFYSA-N 408.549 1.549 0 50 HDAA CN1CCN(c2cc(N[C@H]3CCC(=O)NC3=O)nc(-c3ccc(Cl)cc3)n2)CC1 1857797708 BOYPNPXYJQTSFH-HNNXBMFYSA-N 414.897 1.766 0 50 HDAA Cc1ccn(CC(=O)N2CC[C@@]3(C2)C(=O)N(Cc2nc(C)no2)c2ccccc23)n1 2100556763 ROWZEAKEWQULKQ-NRFANRHFSA-N 406.446 1.600 0 50 HDAA Cc1nc2c(c(=O)n1C)CN(C(=O)c1cc3c(s1)CCOC31CCNCC1)C2 2356160347 OEVUTMNLTFTUFC-UHFFFAOYSA-N 400.504 1.458 0 50 HDAA CS(=O)(=O)N(CC(=O)N1CCOCC1)c1ccccc1OCCc1ccccn1 2356163966 YUDHUAKBJWEEID-UHFFFAOYSA-N 419.503 1.328 0 50 HDAA Cc1ccc(-c2nn(CC(N)=O)c(=O)c3ccccc23)cc1S(=O)(=O)N(C)C 891819 WNELTVSFEAAJGF-UHFFFAOYSA-N 400.460 1.108 0 50 HDAA CCOc1ccc(CN2CCc3nnc([C@H](NS(C)(=O)=O)C(C)C)n3CC2)cc1 14991858 ICWAUHMEWZXXHU-LJQANCHMSA-N 421.567 1.981 0 50 HDAA Cc1c(Br)c(C(F)(F)F)nn1CC(=O)N[C@@H](C)CN1CCOCC1 20028524 RPYHOQQPGICTKF-VIFPVBQESA-N 413.238 1.810 0 50 HDAA COc1cc(CN(C)CCN2CCCC2)ccc1OC[C@H](O)CN1CCOCC1 22920147 CTZWAIZQZJRJPB-HXUWFJFHSA-N 407.555 1.295 0 50 HDAA COc1ccccc1/C=C/CN1CCNC(=O)[C@H]1CC(=O)NCc1cnn(C)c1C 55414830 JVAAMDHXVFCVMO-ZLQZBKBYSA-N 411.506 1.257 0 50 HDAA CC(C)Oc1ccc2c(NC(=O)CN3C(=O)CNC3=O)nn(CC(F)(F)F)c2c1 72411929 FGIMJCHLVUEFHH-UHFFFAOYSA-N 413.356 1.876 0 50 HDAA Cc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1CCNC(=O)C1(C)CC1 77301887 LVBJLWYYNVDYNE-UHFFFAOYSA-N 406.508 1.282 0 50 HDAA O=C(c1cccnn1)N1CCc2cc(S(=O)(=O)NC[C@@H]3CCCO3)ccc2C1 77565829 HFXLFFFWDHXKKU-INIZCTEOSA-N 402.476 1.132 0 50 HDAA CC(=O)[C@H]1CC(C(=O)N2CCN(C3CCN(C)CC3)[C@H](C)C2)=NN1c1ccccc1 241401119 NBHQTJUTXSMLBJ-VGOFRKELSA-N 411.550 1.837 0 50 HDAA O=C(N[C@@H]1CCS(=O)(=O)C1)[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1 245257244 XSIWBQABSBVJPK-BZUAXINKSA-N 414.549 1.075 0 50 HDAA O=C1CCCN1CCN1CCC(N2C[C@H](COc3ccc(F)cc3)OCC2=O)CC1 299778027 LYMRLSHMLJMTRC-HXUWFJFHSA-N 419.497 1.519 0 50 HDAA O=C(NC[C@@H]1CN(CC2CCN(CC3CC3)CC2)C(=O)CO1)c1ccc(CO)cc1 299783680 XKWURRJQGBSNQN-OAQYLSRUSA-N 415.534 1.258 0 50 HDAA Cc1ccc(S(=O)(=O)NCCCNC(=O)c2cc(C(C)C)n3ncnc3n2)cc1 825176937 VUWJGVPPPWZWML-UHFFFAOYSA-N 416.507 1.655 0 50 HDAA COc1ccc(S(=O)(=O)N2CC[C@H](O)[C@@](CC3CC3)(C(=O)O)C2)cc1Cl 1704336281 KKLNDYHLCPTJSC-RDJZCZTQSA-N 403.884 1.975 0 50 HDAA CCn1cc(CN2C[C@@H]3CN(CC4COCCOC4)C[C@]3(CCC(=O)O)C2)cn1 1772817915 JFWUKNYAUDVNDD-CTNGQTDRSA-N 406.527 1.165 0 50 HDAA CC1(C)CNC(=O)C2(CCN(C(=O)c3nc4ccc(Cl)cn4c3F)CC2)NC1 1775982409 URCWTROZHLJIFN-UHFFFAOYSA-N 407.877 1.847 0 50 HDAA O=C(c1cnc(N2CCOCC2)nc1)N1CCc2[nH]nc(-c3ccccc3)c2CC1 1857673185 KVJUHXQOOUNRNC-UHFFFAOYSA-N 404.474 1.944 0 50 HDAA CC(C)C[C@H]1[C@@H](C(=O)NC2CC2)C[C@H]2CN(C(=O)CCc3cccnc3)CC(=O)N21 1857735617 HKJJOLGPPMDHDD-UFYCRDLUSA-N 412.534 1.767 0 50 HDAA COc1cc2c(cc1OC)C1(CCN(C(=O)C3CCS(=O)(=O)CC3)CC1)OCC2 2356164085 DSNOMULWRWSSHB-UHFFFAOYSA-N 423.531 1.919 0 50 HDAA CCn1cc(S(=O)(=O)N2CCC[C@H](C(=O)NCc3c(C)nn(C)c3C)C2)c(C)n1 2807890 MJECTMWMYBBBFI-INIZCTEOSA-N 422.555 1.279 0 50 HDAA O=C(NCCNC1=NS(=O)(=O)c2ccccc21)c1ccccc1Br 4565269 JKEWHQUNYWMXQO-UHFFFAOYSA-N 408.277 1.918 0 50 HDAA CCOC(=O)c1ccc(COC(=O)CNC(=O)CNC(=O)Cc2ccccc2)cc1 4907057 VXZSYLCTLJVCKY-UHFFFAOYSA-N 412.442 1.382 0 50 HDAA Cn1c(SCC(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)nnc1-c1ccncc1 4937585 VCIYUZGFGVTYRX-UHFFFAOYSA-N 409.475 1.798 0 50 HDAA O=c1/c(=C/c2ccccn2)sc2n1CN(c1ccc(Br)cc1)CN=2 6198487 JFUAYNJISQLVSA-DHDCSXOGSA-N 401.289 1.951 0 50 HDAA COc1ccc(F)c(CN2CCC[C@]3(CCN(C(=O)CCn4cnnn4)C3)C2)c1 12468544 UXAJZBLLPKLFCI-FQEVSTJZSA-N 402.474 1.726 0 50 HDAA COCCNC(=O)c1cn([C@@H]2CCCN(C(=O)c3cc(OC)ccc3OC)C2)nn1 14991457 WKSWQETWSQVXBQ-CQSZACIVSA-N 417.466 1.149 0 50 HDAA COc1cc(CNCCc2cn[nH]c2)ccc1OC[C@H](O)CN1CCSCC1 15071877 XVPWSMMHYUFCDM-GOSISDBHSA-N 406.552 1.539 0 50 HDAA COc1ccc(CN2CCC(OC)CC2)cc1OC[C@H](O)CN1CCCN(C)CC1 20166131 OEWAPGSUMAJJRT-HXUWFJFHSA-N 421.582 1.683 0 50 HDAA COc1ccc(Cn2c(=O)c3ccccc3n(CCN3CCN(C)CC3)c2=O)cc1 22873118 JDIQYGYDBDDXFU-UHFFFAOYSA-N 408.502 1.468 0 50 HDAA COc1ccc(CCN2C(=O)N[C@@H](CC(=O)NCc3ccco3)C2=O)cc1OC 170625236 QCDUBSNQVHFLLR-HNNXBMFYSA-N 401.419 1.466 0 50 HDAA biogenic O=C(C[C@@H]1NC(=O)c2ccccc2NC1=O)NCCc1nc(-c2ccccc2)no1 334160713 KVGXWTFVTCVUOO-INIZCTEOSA-N 405.414 1.536 0 50 HDAA CN(C)C(=O)[C@@]1(Cc2ccccc2)C[C@H]2CC[C@@H]1N2S(=O)(=O)c1cnn(C)c1 1704303762 ITUQIUXSPDEEQD-KPFFTGBYSA-N 402.520 1.663 0 50 HDAA COc1ccccc1C(=O)N1C[C@H]2CN(C(=O)Cc3csc(C)n3)C[C@@]2(CO)C1 1775978597 GADXWYTXVGKUGM-VFNWGFHPSA-N 415.515 1.596 0 50 HDAA COCCC[C@@]1(CO)CN(C(=O)c2cnn(-c3ccccc3OC)c2)CC[C@H]1O 1857715011 XGOTZQJHXQYZDT-CTNGQTDRSA-N 403.479 1.493 0 50 HDAA CCn1ccc(C(=O)N2CCO[C@@H](CN3CCCCC3)[C@@H]2c2cnn(C)c2)cc1=O 1857727713 XVJJMNVPGUUKPL-FPOVZHCZSA-N 413.522 1.670 0 50 HDAA CN1CCN(C(=O)[C@@H]2CCCN(c3nc(O)c4cnn(-c5ccccc5)c4n3)C2)CC1 1875260678 JSCQOWPKTAAJSH-MRXNPFEDSA-N 421.505 1.512 0 50 HDAA Cc1ncsc1CCC(=O)NC[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCC(=O)N1C)C2 1875330507 QTZBYPJFPUCEAG-MRUHUIDDSA-N 418.563 1.750 0 50 HDAA CC(F)(F)Cn1nnnc1C1CN(C(=O)CCc2cc3c(nc2O)CCCC3=O)C1 1875387676 SDKOIKAYIUEZCB-UHFFFAOYSA-N 420.420 1.507 0 50 HDAA O=C1CC[C@@H](N2Cc3ccc(C(=O)N4CC(Oc5ccccc5)C4)cc3C2=O)C(=O)N1 2325886801 JXIBGMJSUPQIDR-LJQANCHMSA-N 419.437 1.351 0 50 HDAA CCCc1nnc(N2C[C@@H](C(=O)N3CCc4nc(C5CC5)nn4CC3)CC2=O)s1 2356136483 WPVURWOEAIHUML-ZDUSSCGKSA-N 415.523 1.397 0 50 HDAA COc1cc2c(cc1OC)C1(CCN(C(=O)Cc3cnc(O)nc3O)CC1)OCC2 2356145597 DVXJHTMDRRBUDA-UHFFFAOYSA-N 415.446 1.538 0 50 HDAA CCOC(=O)c1nn(CCC(F)(F)F)c2c1CN(C(=O)C1=NNC(=O)CC1)CC2 14752174 OGZIDICUBPQNGZ-UHFFFAOYSA-N 415.372 1.163 0 50 HDAA Cc1cc(=O)[nH]c(SCC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)n1 18032477 QCWYTVYOKKNUGB-UHFFFAOYSA-N 422.532 1.984 0 50 HDAA CCN(CC)CCN(C)Cc1ccc(OC)c(OC[C@@H](O)CN2CCN(C)CC2)c1 20406943 SQHSSJNZBOOMKJ-NRFANRHFSA-N 422.614 1.456 0 50 HDAA CCN1CCN(C[C@H](O)COc2cccc(CNCc3cnn(CC)c3)c2)CC1 22852426 NEURCJMYKUUHSS-NRFANRHFSA-N 401.555 1.570 0 50 HDAA COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)NC1CCN(C)CC1 65362061 OCHGUFOQCKUHTD-UHFFFAOYSA-N 409.552 1.940 0 50 HDAA Cc1ccc(C)c(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N(C)Cc3ncc[nH]3)[C@@H]4C2=O)c1 77523538 CHVHSKCYJXRSQV-YPIYEQTHSA-N 406.486 1.967 0 50 HDAA CC(C)CN(C(=O)CN1C(=O)N[C@]2(CCCC[C@H]2C)C1=O)[C@H]1CCS(=O)(=O)C1 248210355 CWSFAWALWSOQLK-VCBZYWHSSA-N 413.540 1.159 0 50 HDAA CCN1C(=O)[C@H]2[C@@H](C1=O)[C@H]1C=CC=NN1[C@H]2C(=O)c1ccc(Br)cc1 254318965 LJXBTSPSWGZQCB-CBBWQLFWSA-N 402.248 1.861 0 50 HDAA Cc1ccc(O)c(C(=O)Nc2nc(CC(=O)N3CCC[C@@H]3c3nn[nH]n3)cs2)c1 819451351 CZNRLDWFZOZANT-CYBMUJFWSA-N 413.463 1.829 0 50 HDAA O=C(Cc1n[nH]c2ccccc12)N[C@H]1C2CN3CCN(C2)CC1(c1ccccc1)C3 828005749 OHHITZSNSKAVGS-JXKJCSFESA-N 401.514 1.789 0 50 HDAA Cc1ncnc(N2CCN(C(=O)C3CCN(C(=O)c4ccccn4)CC3)CC2)c1C 952967132 HBNQFPCDBHPUDO-UHFFFAOYSA-N 408.506 1.689 0 50 HDAA COc1ccc(C(=O)NCC2CCN(c3nc(C(N)=O)cs3)CC2)cc1OC 1506398921 HSZVJVZEKFRXGG-UHFFFAOYSA-N 404.492 1.906 0 50 HDAA CCc1nc(C)c(C(=O)N2CCCN(C(=O)Cc3c(C)nc(C)nc3O)CC2)o1 1529110044 JODAOAPQQDPWEQ-UHFFFAOYSA-N 401.467 1.575 0 50 HDAA Cc1nc(N2CCOCC2)sc1C(=O)N1CCC([C@H](O)c2nccn2C)CC1 1857709232 LYXGAQPCNHGHTA-HNNXBMFYSA-N 405.524 1.607 0 50 HDAA O=C(NCC(=O)N1CC[C@@]23OC[C@@H](c4ccccc4)N2C(=O)C[C@@H]13)c1ccccc1 1857717192 YJZDBUDNJZWMBB-YYDVJCTNSA-N 405.454 1.717 0 50 HDAA Cc1nsnc1C(=O)N1CCC2(CC1)CN(Cc1c(C)noc1C)C(=O)CCO2 1857735554 FFRCBWSPVKCHMI-UHFFFAOYSA-N 419.507 1.875 0 50 HDAA CCOC(=O)CC1CCN(c2ncnc3c2ncn3C[C@H](CO)[C@H]2CCOC2)CC1 1875269156 JVKMWSRHVHEGIB-DLBZAZTESA-N 417.510 1.641 0 50 HDAA COC(C)(C)[C@@H](NC(=O)c1cncc(F)c1)c1cn(-c2cncc(C(=O)O)c2)nn1 1875325130 ROOUGYFLRONLCF-INIZCTEOSA-N 414.397 1.791 0 50 HDAA CC1(C)C[C@H](CC(N)=O)N(C(=O)C2CCC(n3cc(-c4cnccn4)nn3)CC2)C1 1875353067 IWTFHPMYPDQATG-GPANFISMSA-N 411.510 1.969 0 50 HDAA COc1c[nH]c(C(=O)NCc2ccnc(CNC(=O)c3ncccc3C)c2)cc1=O 2100555961 AIVWIMZCXVWDCF-UHFFFAOYSA-N 407.430 1.342 0 50 HDAA COC(=O)[C@H](C)NC(=O)[C@H](c1ccccn1)N(C(=O)c1ccccc1)c1cnn(C)c1 2325826961 QTTKVWOMDDVACB-KXBFYZLASA-N 421.457 1.881 0 50 HDAA O=C1CC[C@@H](N2Cc3cc(NC(=O)N4CCc5cccnc54)ccc3C2=O)C(=O)N1 2325901686 TXZVAHSKKPEQIX-MRXNPFEDSA-N 405.414 1.437 0 50 HDAA Cc1ccnc(N2C[C@@H](O)[C@]3(C2)[C@H](c2ccccc2)[C@H]3CNC(=O)c2cc[nH]n2)n1 2356168203 UABQLGNONRUGER-WGQQHEPDSA-N 404.474 1.519 0 50 HDAA CC1CCN(Cc2nnnn2CCCC(=O)N2CCN(C3CCCC3)C(=O)C2)CC1 11933224 BUKRZOIZHXUMRG-UHFFFAOYSA-N 417.558 1.299 0 50 HDAA CCCN1CCC(NC(=O)C[C@H]2C(=O)NCCN2Cc2ccc(OC)c(C)c2)CC1 11934567 ZKBKBABRMMXHAN-FQEVSTJZSA-N 416.566 1.685 0 50 HDAA CN1CCN(C(=O)c2cn(CCCNC(=O)Cc3ccc4ccccc4c3)nn2)CC1 23129937 MLZOLJMSGBBOME-UHFFFAOYSA-N 420.517 1.568 0 50 HDAA COc1ccc(CN2C(=O)N[C@H](CCC(=O)NCc3ccccn3)C2=O)cc1OC 206255187 FRLAYJAKEGCWBM-MRXNPFEDSA-N 412.446 1.616 0 50 HDAA CC(=O)OC(OC(C)=O)[C@@]12C=C[C@@H](O1)[C@H]1C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]12 239165152 NOJVQKNKQVCBJF-CUYVQJCZSA-N 405.790 1.605 0 50 HDAA CN(C)CCn1cnc2cc(NC(=O)C[C@@H]3NC(=O)c4ccccc4NC3=O)ccc21 253412690 RSTYGXDUMYJSLV-SFHVURJKSA-N 420.473 1.677 0 50 HDAA biogenic O=C1CC[C@@H](CN(Cc2ccncc2)S(=O)(=O)c2cccc3nsnc23)N1 952873005 SVKSOHUKMVWFAB-ZDUSSCGKSA-N 403.489 1.556 0 50 HDAA CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(-c2cc(C)[nH]n2)sc1C 952972499 ILSSAZVUAPBYBR-GFCCVEGCSA-N 403.551 1.953 0 50 HDAA COCCn1cnnc1CN(C)S(=O)(=O)c1ccc2c(c1)CCCN2C(C)=O 952981064 GLCAWUCBDXLCLI-UHFFFAOYSA-N 407.496 1.044 0 50 HDAA Cc1cnc(CN2C[C@@H]3CN(CC(=O)Nc4ccc(C)c(F)c4)C[C@]3(CO)C2)[nH]1 1772815625 WYOLRRUCGGDXJQ-IERDGZPVSA-N 401.486 1.530 0 50 HDAA CC(C)OCC(=O)N1CCc2ncn3c2[C@H]1c1cccc(c1)OCCCNC(=O)C3 1775977688 LWOLNJVHXDKZLH-OAQYLSRUSA-N 412.490 1.681 0 50 HDAA COC1(C(=O)N2CC[C@@]3(C2)C(=O)Nc2ccccc23)CCN(Cc2cnc[nH]2)CC1 1857736846 YRPKABFBWUALGZ-NRFANRHFSA-N 409.490 1.513 0 50 HDAA O=C(O)c1cncc(-n2cc(CC[C@@H](O)CCNC(=O)c3cncc(F)c3)nn2)c1 1875325428 XPFOVLMETCLRFZ-QGZVFWFLSA-N 414.397 1.008 0 50 HDAA Cn1c(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)nnc1-c1ccccn1 2374961 JSWPZKJTEJFYQY-UHFFFAOYSA-N 404.477 1.255 0 50 HDAA CCOc1ccccc1CN1CCNC(=O)[C@H]1CC(=O)N(C)Cc1nccs1 12587004 FMUSDTVHVHVSJQ-MRXNPFEDSA-N 402.520 1.891 0 50 HDAA O=C1N[C@@H](COCc2ccccc2)C(=O)N2CCN(C(=O)OCc3ccccc3)C[C@H]12 14749779 VLJWMOGRBCQLGP-VQTJNVASSA-N 423.469 1.551 0 50 HDAA CCCCN1C[C@H](C(=O)Nc2ccc(C(=O)NCCN3CCOCC3)cc2)CC1=O 20028311 VYWAAIGBPSJDBA-GOSISDBHSA-N 416.522 1.336 0 50 HDAA COc1ccccc1[C@@H]1CN(CCNC(=O)[C@@H]2CNC(=O)C2)Cc2ccccc2O1 20537020 VKNSTGKQDMVXQM-UWJYYQICSA-N 409.486 1.883 0 50 HDAA O=S(=O)(NCCCN1CCOCC1)c1ccc(Br)c2nsnc12 23114674 LRYZLZMJNCJJOH-UHFFFAOYSA-N 421.342 1.454 0 50 HDAA COc1ccc(NC(=O)N2CCN(c3cc(C)nc(N4CCOCC4)n3)CC2)cc1 64800407 FFBGEQGPEHWWSH-UHFFFAOYSA-N 412.494 1.984 0 50 HDAA CC(C)N1CCN(CCCN2CC3(CCN(C4CCNCC4)CC3)OC2=O)CC1 72474304 FVVABAISGRWQFB-UHFFFAOYSA-N 407.603 1.441 0 50 HDAA COCCN(C)CCN1CC2(CCN(C(=O)C(=O)c3ccccc3)CC2)OC1=O 77470611 SLLDLDROWJONGE-UHFFFAOYSA-N 403.479 1.261 0 50 HDAA O=C(Cn1ccc(=O)c2ccccc21)NCc1ccc(C(=O)N2CCOCC2)cc1 195716745 VAFJBXHNHYLPTE-UHFFFAOYSA-N 405.454 1.790 0 50 HDAA COC(=O)C[C@@H](c1ccc2c(c1)n(C)c(=O)n2C)c1c(O)n2ccccc2nc1=O 205976695 WZGJBFGHLVAUHG-ZDUSSCGKSA-N 408.414 1.286 0 50 HDAA CCOC(=O)[C@H]1CCCN(CC2=C(C(=O)OC)[C@@H](c3ccccc3)NC(=O)N2)C1 226945538 YIPPNBKDVYMHBP-MAUKXSAKSA-N 401.463 1.743 0 50 HDAA Cc1nnc(CN2CCC(N3C[C@H](COc4ccc(F)cc4)OCC3=O)CC2)o1 299774236 FHLVTLHOQCVZPE-GOSISDBHSA-N 404.442 1.788 0 50 HDAA O=C(Nc1nccs1)c1ccc(S(=O)(=O)N2C[C@@H]3C[C@H]4C[C@H]3[C@@H]2[C@@H]4O)cc1 408521052 GJXGDUPFBJYKJS-BHQQPIICSA-N 405.501 1.785 0 50 HDAA Cc1nc(C(=O)NC[C@@H]2COc3ccccc3O2)nn1-c1n[nH]c(C(F)(F)F)n1 474335001 YTLVWNLSAYJGPU-SECBINFHSA-N 409.328 1.282 0 50 HDAA O=C1NC(=O)C2(CCN(C(=O)c3ccc4c(c3)C[C@@H](c3ccccc3)OC4=O)CC2)N1 823630741 SJMYCTNDTUPRPB-SFHVURJKSA-N 419.437 1.955 0 50 HDAA COc1ccc(-n2cccn2)cc1S(=O)(=O)N(CCN(C)C)C[C@@H]1CCCO1 952965503 ADLMCYKGDYHVNX-KRWDZBQOSA-N 408.524 1.612 0 50 HDAA CN1CCN(C(=O)c2cncc(N3CCN(CCOc4ccccc4)CC3)n2)CC1 1529115227 ZTTJDHWTQVPCHJ-UHFFFAOYSA-N 410.522 1.065 0 50 HDAA Cc1cc(CN2C[C@@H]3CN(CCS(=O)(=O)c4ccccc4)C[C@@]3(CO)C2)on1 1772803910 AKAVKGBSHZTGJZ-PXNSSMCTSA-N 405.520 1.183 0 50 HDAA Nc1ncccc1CN1C[C@@H]2CN(C(=O)c3ccc4ncsc4c3)C[C@@]2(CO)C1 1772806120 ZDJXCGAMBXLSCV-IIBYNOLFSA-N 409.515 1.840 0 50 HDAA COc1cc2nc(N3CCO[C@H](c4nc(C(=O)O)cs4)C3)[nH]c(=N)c2cc1OC 1875341384 QVJOKCXYBKYWLQ-AWEZNQCLSA-N 417.447 1.792 0 50 HDAA COc1cccc(CNC(=O)c2ccc3c(c2)C(=O)N([C@@H]2CCC(=O)NC2=O)C3=O)c1 2325897910 MKQMCNSHWGCNRW-QGZVFWFLSA-N 421.409 1.026 0 50 HDAA O=c1c2cc3c(=O)n(-c4ccc(O)cc4)c(=O)c3cc2c(=O)n1-c1ccc(O)cc1 639457 WDDZBXNHZJPBKS-UHFFFAOYSA-N 400.346 1.302 0 50 HDAA CC1(C)O[C@@H]2[C@@H](COC(=O)c3ccccc3)O[C@@H](n3cnc4c(N)ncnc43)[C@@H]2O1 5945767 MMPQEWNVGKCTAX-SCFUHWHPSA-N 411.418 1.683 0 50 HDAA Cc1cc(C)cc(N2CCN(C(=O)c3cn(CCN4CCCCC4)nn3)CC2=O)c1 11814019 QNALWKYXGYGPFK-UHFFFAOYSA-N 410.522 1.870 0 50 HDAA CN(CCCCN1CCOCC1)C(=O)C[C@@H]1C(=O)NCCN1Cc1cccc(F)c1 11844443 YWOAMBPODIHIHH-HXUWFJFHSA-N 420.529 1.087 0 50 HDAA CN(C)CCNC(=O)c1cn(C2CCN(C(=O)c3ccccc3Cl)CC2)nn1 12218728 TZMWWSRNGPFVOF-UHFFFAOYSA-N 404.902 1.700 0 50 HDAA COc1ccc(CCN2C[C@@H](C(=O)NCCCN3CCOCC3)CCC2=O)cc1 20912252 GXQJVYISKIFKSQ-IBGZPJMESA-N 403.523 1.315 0 50 HDAA Cc1nccn1CCN(C)C(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(Cc4cccnc4)C(=O)[C@@H]13)O2 77539462 OWSIWMYAVPMACC-JYLXEMOASA-N 407.474 1.027 0 50 HDAA CCOC(=O)[C@@H](NC(=O)[C@H](C)NC(C)=O)c1c(C)nn(Cc2ccccc2)c1C 170614378 ABIHMRNJBGDGOK-LIRRHRJNSA-N 400.479 1.793 0 50 HDAA Cc1ccnc(NS(=O)(=O)c2ccc(N3C(=O)[C@@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)cc2)n1 239030673 CFMQYYTZBXTMBB-WRFANHODSA-N 410.455 1.897 0 50 HDAA COCc1nnc(NC(=O)C[C@H]2N=C(O)N(Cc3ccccc3Cl)C2=O)s1 252538451 NBMLJBLWZMMOJL-LLVKDONJSA-N 409.855 1.992 0 50 HDAA COc1ccc(C(=O)N2CCOCC2)cc1NC(=O)N1[C@@H](C)[C@H](C)NC(=O)[C@H]1C 1476064001 XHDCENBWYJWIIV-MELADBBJSA-N 404.467 1.297 0 50 HDAA COC[C@H]1CCCN(S(=O)(=O)N2CCN(c3ncnc4ccccc34)CC2)C1 1506421033 NCNPJDSCGHBGFF-INIZCTEOSA-N 405.524 1.355 0 50 HDAA O=C(NC[C@H]1[C@H]2CN(C(=O)CCC(F)(F)F)C[C@]23CC[C@H]1O3)C1CCOCC1 1704302704 CFKOVIOLVXTYTR-LUXYFRNMSA-N 404.429 1.878 0 50 HDAA CCCOc1ccc(C(=O)N[C@@H]2COC[C@H]2CS(=O)(=O)N(C)C)cc1Cl 1704337910 HBZJNUJGEIHFFY-DZGCQCFKSA-N 404.916 1.765 0 50 HDAA Nc1ncnc2c1ncn2Cc1cn([C@H]2C[C@H](C(=O)OCc3ccccc3)C2)nn1 1775987013 UQZKTFLKOOCJFS-KOMQPUFPSA-N 404.434 1.743 0 50 HDAA CCCN1C[C@@H](NC(=O)N2CCN(C(=O)c3ccc(C)c(OC)c3)CC2)CC1=O 1875312732 RXXIGWGKOGNKRE-KRWDZBQOSA-N 402.495 1.482 0 50 HDAA O=C(CN1C(=O)c2ccccc2C1=O)O[C@H]1CSC[C@@H]1NC(=O)c1ccccc1 1071198 CNEAINCFEWGLJK-IRXDYDNUSA-N 410.451 1.740 0 50 HDAA CC(C)C(=O)N1CCN(CCOc2cccc(CN(C)C[C@H]3CCC(=O)N3)c2)CC1 11783264 SWASRMUZJBVKCU-HXUWFJFHSA-N 416.566 1.576 0 50 HDAA C[C@H]1CS(=O)(=O)N(c2cccc(C(=O)NCc3ccc4c(c3)OCO4)c2)C1=O 12002842 PJYLHTKQTVPJKY-LBPRGKRZSA-N 402.428 1.658 0 50 HDAA NC(=O)c1ccc(N2CCC[C@H](CCC(=O)N3CCN(c4ccccn4)CC3)C2)nc1 12431363 GQTWJEUKGXKTHL-GOSISDBHSA-N 422.533 1.921 0 50 HDAA CN1c2cnc(N3CCN(c4ncccn4)CC3)nc2-c2sccc2S1(=O)=O 19894248 GOKSSZLWONHESU-UHFFFAOYSA-N 415.504 1.460 0 50 HDAA Cc1ccc2nc(CNC(=O)[C@H]3CCC(=O)N(CCCN4CCOCC4)C3)cn2c1 20996599 YXHLYCSLQPOHJG-SFHVURJKSA-N 413.522 1.220 0 50 HDAA CCn1cc(/C=c2\sc3n(c2=O)[C@H]2c4ccccc4O[C@@](C)(N=3)[C@@H]2C(=O)OC)cn1 35679340 HNRXOMAKBFOTCZ-LOWODYKZSA-N 424.482 1.075 0 50 HDAA O=C(COc1ccc(CNCc2nc(-c3cccnc3)no2)cc1)N1CCOCC1 55359823 GMBHNPHSZBFQBE-UHFFFAOYSA-N 409.446 1.659 0 50 HDAA COc1ccc(CCN2C(=O)O[C@H]3CN(S(=O)(=O)N4CCCCC4)C[C@H]32)cc1 209064938 MEJOOWSCOFUNFW-MSOLQXFVSA-N 409.508 1.473 0 50 HDAA COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N(C)[C@@H]3CCCC[C@@H]3O)C2)cc1 225251062 BTHVEGRRLOFDSG-IPELMVKDSA-N 410.536 1.858 0 50 HDAA Cc1ccccc1[C@H](CC(=O)N1CCN(c2nccn3cnnc23)[C@@H](C)C1)NC(N)=O 433555843 WJWZJTHYDXRZMJ-RDJZCZTQSA-N 422.493 1.270 0 50 HDAA CCN1CCC[C@H]1CNC(=O)[C@@H](CCSC)n1c(O)nc2ccccc2c1=O 888089877 MXBGCQWCSROUDG-WMLDXEAASA-N 404.536 1.997 0 50 HDAA CN(C)c1ncc2c(n1)[C@]1(CCCN(c3cc(C(=O)N4CCOCC4)ccn3)C1)CC2 1704324679 CQJPLBRMDKFCAT-HSZRJFAPSA-N 422.533 1.894 0 50 HDAA CSc1ccccc1C(=O)N1C[C@H]2CN(C(=O)c3cccc(N)n3)C[C@]2(CO)C1 1772703266 ZYAMIXNGPUGWLB-QKKBWIMNSA-N 412.515 1.592 0 50 HDAA Cc1cnc2c(C(=O)NC[C@@H]3CCC[C@H](NC(=O)c4cccc(N)n4)C3)cnn2c1 1857679469 VWERLYUFMMOFDM-CABCVRRESA-N 407.478 1.734 0 50 HDAA Cc1ccn([C@@H](C)CC(=O)NCC2(F)CCN(C(=O)c3cncc(N)n3)CC2)n1 1875353364 QACMZJFWAYTBOA-AWEZNQCLSA-N 403.462 1.276 0 50 HDAA Cc1ccc(OCCc2nnc(NC(=O)CN3C(=O)CN(C)C3=O)s2)cc1C 2100477676 GXERKGHPPQHFSW-UHFFFAOYSA-N 403.464 1.609 0 50 HDAA O=C(Cc1cc[nH]n1)NC[C@@H]1[C@@H](c2ccccc2)[C@]12CN(c1cnccn1)C[C@@H]2O 2100541073 USOZPWKKDJAXIS-GMQQQROESA-N 404.474 1.140 0 50 HDAA CS(=O)(=O)N1CCc2cc(S(=O)(=O)Nc3ccc4c(c3)COC4=O)ccc21 1064172 PSDPCZSBKZWRAA-UHFFFAOYSA-N 408.457 1.480 0 50 HDAA CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)O 4899703 RDJOFHONSQXHOC-LBPRGKRZSA-N 403.476 1.776 0 50 HDAA CN(C)S(=O)(=O)N1CC[C@H]2[C@H](CCCN2C(=O)Cc2ccc(F)c(F)c2)C1 12452332 KNRBECAVDFOEGH-PBHICJAKSA-N 401.479 1.627 0 50 HDAA CC(C)CCN1C(=O)N(CC(N)=O)C(=O)C12CCN(Cc1ccc(O)cc1)CC2 14535696 HXEZMKIWVQAQHD-UHFFFAOYSA-N 402.495 1.522 0 50 HDAA CN(Cc1nc2ccccc2s1)C(=O)[C@@H]1CCC(=O)N(CCN2CCOCC2)C1 20909962 YWPBJGBEOHLOGU-MRXNPFEDSA-N 416.547 1.826 0 50 HDAA CC[C@H]1C(=O)NCCN1Cc1cnc(S(=O)(=O)CC)n1CCc1ccccc1 59311875 NUFRFQGPWXMXRK-SFHVURJKSA-N 404.536 1.630 0 50 HDAA CN(Cc1ccncn1)C(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(Cc4ccc(F)cc4)C(=O)[C@@H]13)O2 77343975 OVKOUPPOLUWFKJ-VWNVYAMZSA-N 408.433 1.556 0 50 HDAA Cn1c(=O)n(C)c2cc([C@H](CC(N)=O)c3c(O)n[nH]c3Cc3ccccc3)ccc21 252500653 SZVYQUXJLLFLAM-HNNXBMFYSA-N 405.458 1.904 0 50 HDAA O=C1NC(=O)[C@@]2(CCCN(S(=O)(=O)c3ccc(SC(F)(F)F)cc3)C2)N1 788712830 YGKWKDGNDRCMCL-ZDUSSCGKSA-N 409.411 1.661 0 50 HDAA COc1cc(-c2nnc3n2C[C@]2(CCN(C(=O)c4cnc(C)[nH]4)C2)OC3)ccc1O 1857692948 ASXYZDDKCDKDAP-HXUWFJFHSA-N 410.434 1.506 0 50 HDAA CCc1ncnc(N2CCc3nc(C(=O)NCc4nonc4C)cn3CC2)c1F 1940198460 WVVZGEFGWFSWNK-UHFFFAOYSA-N 400.418 1.059 0 50 HDAA O=C1CC[C@@H](N2Cc3cc(C(=O)N4CCC[C@@H](OC(F)F)C4)ccc3C2=O)C(=O)N1 2325901634 OOKAAGMKGFKEPI-UKRRQHHQSA-N 421.400 1.291 0 50 HDAA COC(=O)c1ccccc1NC(=O)CN(C)S(=O)(=O)c1ccc(OC)c(OC)c1 1121077 TUFVYNWTNLXJJM-UHFFFAOYSA-N 422.459 1.750 0 50 HDAA CC1(C)C(=O)NC(=S)N2C(=O)C[C@H](C(=O)Nc3cc(Cl)cc(Cl)c3)N21 6754809 NAJXLZCHHGALTM-SNVBAGLBSA-N 401.275 1.943 0 50 HDAA COc1ccc(C(=O)NCc2nnc(SCC(=O)Nc3nnc(C)s3)o2)cc1 9673802 IFILBHDDPOBAQB-UHFFFAOYSA-N 420.476 1.899 0 50 HDAA O=S(=O)(c1ccc2c(c1)CCN2S(=O)(=O)c1ccccc1)N1CCOCC1 10025392 TWHZPKTXOPKMOW-UHFFFAOYSA-N 408.501 1.459 0 50 HDAA CN1C(=O)[C@H]2CN(C(=O)c3cccc(F)c3F)CCN2C(=O)[C@@H]1Cc1ccccc1 14733027 BRMCMTCFAZWXBG-ZWKOTPCHSA-N 413.424 1.701 0 50 HDAA COc1ccc(OC)c(CN2CCN(CC(=O)Nc3cccc4nonc34)CC2)c1 22752249 XJSLOJRNJARPIY-UHFFFAOYSA-N 411.462 1.996 0 50 HDAA O=C(Cc1cccc(O)c1)NC[C@H]1CN(CC2CCN(CC3CC3)CC2)C(=O)CO1 299755517 DUEIAWAJBLGHGM-NRFANRHFSA-N 415.534 1.400 0 50 HDAA Cc1ncccc1C(=O)NC[C@H]1CN(CC2CCN(CC3CC3)CC2)C(=O)CO1 299769147 JYLGSWZAVKIEKF-IBGZPJMESA-N 400.523 1.469 0 50 HDAA O=C(NCc1coc(-c2ccccc2)n1)C1CCN([C@@H]2CCS(=O)(=O)C2)CC1 670470435 VBKPLAHDBBZBRK-GOSISDBHSA-N 403.504 1.857 0 50 HDAA C[C@H](N[C@@H]1C[C@H](C)N(c2ccccc2)C1=O)c1ccc(S(=O)(=O)CC(N)=O)cc1 820821859 GFYNBKAAFUERGR-YZVOILCLSA-N 415.515 1.790 0 50 HDAA CCNC(=O)c1ccc(NC(=O)CN2CCN(c3ncccn3)CC2)cc1Cl 952962589 FYKMYOUKVKURNX-UHFFFAOYSA-N 402.886 1.640 0 50 HDAA O=C(NCCOCc1ccccc1)[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CCNC2 1857696399 YRFLIKBWEXDHBX-MQSCRBSSSA-N 401.551 1.800 0 50 HDAA Cc1sc(-c2cccnc2)nc1NC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 1875254258 PJNOKHAPVSEEAL-UHFFFAOYSA-N 401.473 1.950 0 50 HDAA O=C([C@H]1CCOC1)N1CCC(Cc2cn(CCc3ccccc3)nn2)(C(=O)O)CC1 1875327184 TUXAKDJJSKIYML-SFHVURJKSA-N 412.490 1.793 0 50 HDAA N[C@H]1CC[C@@H](n2cc(C(=O)N3CCc4nc(-c5cccnc5)nn4CC3)nn2)CC1 2356149375 XBZMFZGQQKAWQK-IYBDPMFKSA-N 407.482 1.073 0 50 HDAA COc1cc(OC)c(S(=O)(=O)N2CCCC2)cc1S(=O)(=O)N1CCCC1 814658 OJLYIWUWIFBZPE-UHFFFAOYSA-N 404.510 1.273 0 50 HDAA CC(=O)NS(=O)(=O)c1ccc(NC(=O)C2CCN(C(=O)C(C)(C)C)CC2)cc1 12379550 FAJNYYVRCCPRPO-UHFFFAOYSA-N 409.508 1.735 0 50 HDAA O=C1NCCN(Cc2cccnc2)[C@@H]1CC(=O)N1CCCN(C2CCCCC2)CC1 12387741 KBCTZVLAUVPAMM-OAQYLSRUSA-N 413.566 1.639 0 50 HDAA CCCN1CCC(NC(=O)C[C@H]2C(=O)NCCN2Cc2cccc(OC)c2)CC1 12587832 GVESYUSVBFSITR-FQEVSTJZSA-N 402.539 1.376 0 50 HDAA O=C1N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCN(C(=O)c3ccc(Cl)cc3)C[C@H]12 14748974 BKHAFAJERKIYKQ-ZWKOTPCHSA-N 413.861 1.440 0 50 HDAA CSc1ccccc1C(=O)N1C[C@@H]2CN(C(=O)CCc3cn[nH]c3)C[C@@]2(CO)C1 1772705949 OMPPVJFXFGJRRB-KKSFZXQISA-N 414.531 1.657 0 50 HDAA COc1cccnc1CN1CC2(CCN(C(=O)C3CCOCC3)CC2)OCCC1=O 1857733464 LMMYUYGCKVFLLU-UHFFFAOYSA-N 417.506 1.627 0 50 HDAA CCC(=O)N1CCC[C@@]2(CCc3c(N4CCNC(=O)C4)nc(-c4cccnc4)nc32)C1 1875248372 NCYGZUKBGCRSEU-HSZRJFAPSA-N 420.517 1.691 0 50 HDAA Cc1cn(CC(=O)N2CCC[C@]23CCCN(Cc2ccccc2)C3=O)c(=O)nc1O 2100544616 BLMDDDNWRFPYSB-QFIPXVFZSA-N 410.474 1.441 0 50 HDAA O=C(c1cc[nH]n1)N1CC[C@@H]2C[C@H](N3CCOCC3)CC[C@@]2(C(=O)NC2CCC2)C1 2100556404 MKDREBXXFZLLDR-RADWXHQJSA-N 415.538 1.412 0 50 HDAA NCCc1ccc(NC(=O)c2ccc3c(c2)C(=O)N([C@@H]2CCC(=O)NC2=O)C3)cc1 2325897347 UXYLONPHVNRJRC-GOSISDBHSA-N 406.442 1.201 0 50 HDAA CCOC(=O)N1CCN(C(=O)[C@@H](C)N(c2ccc(OC)cc2)S(C)(=O)=O)CC1 886950 VENPBLPLOAPSQQ-CQSZACIVSA-N 413.496 1.150 0 50 HDAA CCOC(=O)c1ccc2nc(NC(=O)CSc3nc(N)cc(=O)[nH]3)sc2c1 2815140 YGQQDVHCGAQGRW-UHFFFAOYSA-N 405.461 1.869 0 50 HDAA O[C@H](COc1ccccc1CNCCCN1CCOCC1)CN1CCSCC1 12469906 VEZUTIPMOXXPSX-FQEVSTJZSA-N 409.596 1.287 0 50 HDAA O=C(CSc1nnc(CN2CCOCC2)n1-c1ccccc1)NC[C@H]1CCCO1 19804484 GQAJEFHCERYSOW-QGZVFWFLSA-N 417.535 1.487 0 50 HDAA COc1ccccc1NC(=O)CN1CCN(CC(=O)Nc2ccccc2OC)CC1 20110109 PBBYCNGKAGFTKQ-UHFFFAOYSA-N 412.490 1.899 0 50 HDAA O=C(NCCNS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1-c1ncn[nH]1 55036308 UBTWEMLYWSNBBR-UHFFFAOYSA-N 405.867 1.833 0 50 HDAA Cc1ccc(CCN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N(C)Cc3cnccn3)[C@H]4C2=O)cc1 77426886 LFSIAGINXWKLRJ-CIEVZJJWSA-N 418.497 1.768 0 50 HDAA CC(C)S(=O)(=O)N1CCC(N2CCC[C@@H](C(=O)NCc3cccnc3)C2)CC1 82137312 GRAYLYZEMCQWKF-GOSISDBHSA-N 408.568 1.612 0 50 HDAA COCC(=O)N1CCC(Oc2ccc(C(=O)N[C@H](C)c3nc(C)no3)cc2)CC1 95502022 OTLOHMUJIGFSEC-CYBMUJFWSA-N 402.451 1.885 0 50 HDAA COc1ccc(C(=O)COC(=O)CCN2C(=O)[C@H]3[C@H]4C=C[C@H]([C@H]3C2=O)[C@@H]2C[C@@H]42)cc1 239203492 SLTUBUZMCCFPDR-NQDKFLQJSA-N 409.438 1.864 0 50 HDAA C[C@@H]1Cc2ccccc2N1C(=O)[C@@H]1CCCC[C@H]1C(=O)N1CCO[C@H](c2nn[nH]n2)C1 732767051 SGMFMKIEQQQRFM-MYZZLAAOSA-N 424.505 1.884 0 50 HDAA C=CC(=O)NCc1ccc(C(=O)N2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)cc1 781522908 GDSONADCRVKRIE-IBGZPJMESA-N 419.547 1.955 0 50 HDAA Cc1nc2ncnn2c(C)c1CCC(=O)Nc1ccccc1N1C(=O)N[C@@H](C)C1=O 952977642 QYUIADDQZHOWIQ-LBPRGKRZSA-N 407.434 1.757 0 50 HDAA Cc1nnc(N2CCN(C(=O)Cc3ccc(F)cc3Cl)CC2)c(C(N)=O)c1C 1319441310 CECXYVHYUZIXPK-UHFFFAOYSA-N 405.861 1.876 0 50 HDAA COc1ccc([C@@H]2[C@@H](CO)OCCN2C(=O)CCCN2CCCCC2=O)cc1OC 1529195950 SEVIYHUSJXRTOU-DENIHFKCSA-N 420.506 1.757 0 50 HDAA CN(C)c1ccnc(N[C@@H]2CN3CCCC[C@]3(C(=O)NCc3cscn3)C2)n1 1857687152 OYHTXYVRAIXMHI-IFXJQAMLSA-N 401.540 1.724 0 50 HDAA Cc1nsnc1C(=O)N1C[C@@H]2[C@H](CNC(=O)c3ncoc3C)[C@H]3CC[C@]2(C1)O3 1857722167 QCWRLXXDLOWQCU-NVAPZFDKSA-N 403.464 1.193 0 50 HDAA CON(C)C[C@@H](O)Cn1cc(NC(=O)Nc2cccc(=Nc3ccccc3)[nH]2)cn1 1875327792 LLVZOCXUQMENCL-QGZVFWFLSA-N 411.466 1.942 0 50 HDAA CO[C@@H](C(=O)N1CC(CNC(=O)c2oc(SC)cc2C)(C(N)=O)C1)C1CCCC1 1875347912 WAYBQUPGLVQDBJ-MRXNPFEDSA-N 423.535 1.559 0 50 HDAA O=C1N=C(NS(=O)(=O)N2CCC[C@H]2C2(C(F)(F)F)N=N2)C(=C(Cl)Cl)N1 2084443328 FXZRZIJKRCSXJC-BYPYZUCNSA-N 421.188 1.778 0 50 HDAA COc1cc(CS(=O)(=O)NC(=O)[C@H]2CC(=O)N([C@H](C)c3ccccc3)C2)sn1 2325819437 DSSDFXMHKHQBFK-OCCSQVGLSA-N 423.516 1.707 0 50 HDAA Cc1cn2cc(C(=O)N(C)[C@@H](CNC(=O)C[C@@H]3CCC(=O)N3)C3CC3)sc2n1 2325823666 ACQWOSFFSDDYAE-KBPBESRZSA-N 403.508 1.340 0 50 HDAA CCOC(=O)C1=C(N)N2C(=O)[C@H](C)SC2=C(C(=O)OC)[C@H]1c1cccc(OC)c1 1076537 OESLYPLYPBHMLP-GWCFXTLKSA-N 418.471 1.874 0 50 HDAA COc1cccc(C(=O)N[C@H](NC(=S)Nn2cnnc2)C(Cl)(Cl)Cl)c1 3066375 COJDSFWVWZSCPE-LLVKDONJSA-N 423.713 1.831 0 50 HDAA COc1ccc(C2=NO[C@@H](C(=O)N3CCN(C(=O)c4ccco4)CC3)C2)cc1OC 6738577 JAUSTCCVPGYSQF-LJQANCHMSA-N 413.430 1.774 0 50 HDAA O=C(CCC1CCN(C(=O)c2ccc(Cn3cnnn3)cc2)CC1)N1CCOCC1 11765175 DVTFPLVLBPKLEU-UHFFFAOYSA-N 412.494 1.213 0 50 HDAA Cc1ccc(C(=O)NCCCN2CCCCC2)cc1S(=O)(=O)N1CCOCC1 13668739 ULERNJSXRDDCAL-UHFFFAOYSA-N 409.552 1.622 0 50 HDAA CCn1cc(/C=c2\sc3n(c2=O)[C@H]2c4ccccc4O[C@@](C)(N=3)[C@H]2C(=O)OC)cn1 13959968 HNRXOMAKBFOTCZ-IPISBVGYSA-N 424.482 1.075 0 50 HDAA COc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)N[C@H]2CCS(=O)(=O)C2)cc1 16790987 QCPVVHOAGHJUTK-FMNVXAMXSA-N 420.512 1.831 0 50 HDAA CN1CCC(NC(=O)[C@H]2CCCN(S(=O)(=O)CCCc3ccccc3)C2)CC1 65364705 LIWDBDJKIWNBHA-IBGZPJMESA-N 407.580 1.871 0 50 HDAA Cc1ocnc1C(=O)N1CCC(N2CCC[C@H](C(=O)N3CCN(C)CC3)C2)CC1 71714938 ZOMNORAVVMOSFA-KRWDZBQOSA-N 403.527 1.074 0 50 HDAA CCOC(OCC)[C@@](CO)(OCc1ccc(OC)cc1)[C@H](O)[C@H]1COC(C)(C)O1 71786699 JRAMLJSOTOEBPE-OPYAIIAOSA-N 414.495 1.854 0 50 HDAA CC[C@H]1CN(Cc2ccc(C(=O)NCc3cn4cc(C)sc4n3)c(=O)[nH]2)CCO1 77376010 GHATZIBGGWZBRJ-INIZCTEOSA-N 415.519 1.933 0 50 HDAA CN(C)CC(=O)N1CCC(CCC(=O)N[C@H]2CCN(Cc3ccccc3)C2)CC1 95527487 KJXSJVWMRNOHCU-NRFANRHFSA-N 400.567 1.958 0 50 HDAA COCc1nnc(NC(=O)CC[C@@H]2NC(=O)N(CCc3ccccc3)C2=O)s1 170625632 UBXYTWVESNFZBP-ZDUSSCGKSA-N 403.464 1.566 0 50 HDAA Cc1nn(C)c(C)c1C[C@H](C)C(=O)NS(=O)(=O)c1ccc(Br)nc1 225690390 XKSIVRMDLRPNAY-VIFPVBQESA-N 415.313 1.878 0 50 HDAA COC(=O)c1cnc(O)c([C@@H](CC(N)=O)c2cccc(Oc3ncccn3)c2)c1O 253623817 NNGQISJNZPZUPV-ZDUSSCGKSA-N 410.386 1.869 0 50 HDAA C[C@@H]1CN(c2ccc(NC(=O)c3ccc(NS(C)(=O)=O)nc3)cn2)C[C@@H](C)O1 1459582290 DCHMTBBJXSHNND-CHWSQXEVSA-N 405.480 1.714 0 50 HDAA O=C(c1ccc(=O)n(CCOc2ccccc2Cl)c1)N1CC[C@H](c2nn[nH]n2)C1 1471459143 BEJDSWULRHAINR-ZDUSSCGKSA-N 414.853 1.724 0 50 HDAA CSCC(=O)N1C[C@H]2CN(C(=O)CCc3n[nH]c(C)c3C)C[C@@]2(CN(C)C)C1 1772701729 OZZBSXMSXNIFPX-UZLBHIALSA-N 407.584 1.171 0 50 HDAA CCCn1cc(C(=O)N2C[C@H]3CN(C(=O)CCOC)C[C@@]3(CN(C)C)C2)c(C)n1 1772710884 XBZKIXKTRLITOF-UTKZUKDTSA-N 405.543 1.100 0 50 HDAA Cc1nonc1C(=O)N1C[C@@H]2CN(Cc3ccccc3F)C[C@]2(CCC(=O)O)C1 1772809602 AXVMETLEXRJFOU-MGPUTAFESA-N 402.426 1.956 0 50 HDAA CC(C)c1cccc(CNC(=O)N[C@@H]2CCCN(S(=O)(=O)N3CCOCC3)C2)c1 1875262292 KCXCCWSXCSAYRV-LJQANCHMSA-N 424.567 1.651 0 50 HDAA COc1ccc(Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)c(OC)c1 845963 OMBPCBLCRYYVAT-UHFFFAOYSA-N 402.455 1.306 0 50 HDAA COc1cc([C@@H]2NC(=O)N[C@](O)(C(F)(F)F)[C@H]2C(=O)c2cccnc2)ccc1O 915116 KYUZLWFKQNZOHE-JKIFEVAISA-N 411.336 1.900 0 50 HDAA CC1(C)CS(=O)(=O)N(c2ccc(Cl)c(C(=O)NC[C@H]3CCCO3)c2)C1=O 12003567 JBWAZFODJVOTLT-GFCCVEGCSA-N 400.884 1.951 0 50 HDAA COc1ccc(F)c(CN2CCc3nnc(CCNC(=O)C4CCC4)n3CC2)c1 14997084 MUCGZQPYRAAWCW-UHFFFAOYSA-N 401.486 1.943 0 50 HDAA O=C(Cn1cccn1)N1CCC[C@@H](N2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 19741528 RJERVSZLJWQKNM-LJQANCHMSA-N 411.506 1.421 0 50 HDAA CN1CCN(C(=O)C[C@@]2(c3ccccc3)CC(=O)N(Cc3cccnc3)C2=O)CC1 19836088 HCESYYKFGHSBPH-QHCPKHFHSA-N 406.486 1.443 0 50 HDAA COC(=O)c1cccc(C(=O)N2CCC[C@@H](CCC(=O)N3CCN(C)CC3)C2)c1 20534608 FUMLYXCLSPZXTM-KRWDZBQOSA-N 401.507 1.880 0 50 HDAA CCOC[C@@H](O)CNC(=O)c1coc(CN2CCN(c3ccccc3F)CC2)n1 55042241 MBOITKOVMRCOFG-HNNXBMFYSA-N 406.458 1.263 0 50 HDAA CCn1cnnc1CN(C)C(=O)[C@@H]1CCCN(C2CCN(C(=O)C3CC3)CC2)C1 71762935 AHZGIMWQLMFEIS-QGZVFWFLSA-N 402.543 1.369 0 50 HDAA CCCCN1CCN([C@H](C(=O)N2CCCN(C)CC2)c2ccccc2)C(=O)C1=O 77376574 DVQVLDFTYFGZCE-IBGZPJMESA-N 400.523 1.363 0 50 HDAA COc1ccc(CCN2C(=O)N[C@@H](CCC(=O)N[C@H]3NC(C)=CS3)C2=O)cc1 206240550 VDKWCDPNDAWHLG-MAUKXSAKSA-N 404.492 1.536 0 50 HDAA NC(=O)NCCC[C@@H](NC(=O)Cn1ccc2c(Br)cccc21)C(=O)O 206412352 CLLBECDYDDIVMP-GFCCVEGCSA-N 411.256 1.422 0 50 HDAA CCCCN(CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 239338599 KUNSAAKSJPPWOQ-ABFWNZAKSA-N 423.513 1.618 0 50 HDAA CSCC[C@H](N)C(=O)NC[C@H]1CC[C@H](C(=O)N[C@@H](C(=O)O)c2ccccc2)CC1 247962300 FNIBUGJJOGLUIA-LEUOFYLZSA-N 421.563 1.932 0 50 HDAA biogenic O=C(Cc1nc2nc3c(c(=O)n2[nH]1)CCCC3)NCc1nc(C2CCCCC2)no1 1506425305 FFULQOSWXUXDTF-UHFFFAOYSA-N 411.466 1.586 0 50 HDAA Cc1cc(=O)cc(C(=O)N2C[C@H]3CN(C(=O)c4cc(C)oc4C)C[C@]3(CO)C2)o1 1772712334 PCDMPKHDVSBSDS-QVKFZJNVSA-N 400.431 1.365 0 50 HDAA COc1cc(-c2nc(CNC(=O)CCn3ccc(O)nc3=O)c(C)o2)ccc1O 1857670709 DWXLZRZIXKVWEZ-UHFFFAOYSA-N 400.391 1.333 0 50 HDAA COc1cc(Oc2cc(C(=O)N3CCS(=O)(=O)CC3)ccc2OC)ccc1CN 1857690088 VUYXXMVQNGERNA-UHFFFAOYSA-N 420.487 1.825 0 50 HDAA Cc1c(C(=O)N2C[C@@H]3CC[C@H]2[C@@H]3C(=O)NCc2ncc[nH]2)cnn1-c1ccccn1 1857702095 ZSIJXAULXYBZPK-URLQWDBASA-N 405.462 1.466 0 50 HDAA CCCN1CCC[C@]2(CCc3c2nc(-c2cccnc2)[nH]c3=NCc2nc(=N)[nH][nH]2)C1 1875250363 RXMGVWQGVDVHPL-QFIPXVFZSA-N 419.537 1.793 0 50 HDAA CC(=O)NC1(CNC(=O)NCC2CCN(C(C)=O)CC2)C2CC3CC(C2)CC1C3 1875288200 RIQYUZIOWYMBCO-UHFFFAOYSA-N 404.555 1.875 0 50 HDAA C=CC(=O)NC[C@H](OC)C(=O)N1CCC([C@@H]2C(=O)Nc3cc(Cl)ccc32)CC1 2325901759 WWBIPTDEWFDIQV-WMZOPIPTSA-N 405.882 1.932 0 50 HDAA COc1ccc(OC)c(N(CC(=O)NC(C)(C)CO)S(=O)(=O)c2ccccc2)c1 2911713 KATPJZAGWGRTLA-UHFFFAOYSA-N 422.503 1.786 0 50 HDAA Cn1cc(C(=O)N2CCC(N3CCC[C@@H](C(=O)NCc4ccccn4)C3)CC2)cn1 82138502 RXQAVSSQPXDOIJ-QGZVFWFLSA-N 410.522 1.448 0 50 HDAA O=C(CC[C@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O)NCCc1nccs1 206256238 KKGROMHIRHLSJO-CYBMUJFWSA-N 416.459 1.431 0 50 HDAA CCNC(=O)CNC(=O)NC[C@@H](c1c(F)cccc1Cl)N1CCO[C@@H](C)C1 229749858 ZPBJFKYBTDCBGU-WFASDCNBSA-N 400.882 1.676 0 50 HDAA O=C(Cc1cccc(F)c1)N1CCC[C@@H](n2ncc(N3CCOCC3)cc2=O)C1 328602325 BCSOVGVCUSFAAL-GOSISDBHSA-N 400.454 1.625 0 50 HDAA Cc1ccc(S(=O)(=O)N2CCC[C@@H](n3ncc(N4CCC4)cc3=O)C2)c(F)c1 328607369 VYGUXEDTEPQOAH-OAHLLOKOSA-N 406.483 1.927 0 50 HDAA CCCCN1CCn2nc(CNC(=O)c3cn(C[C@H]4CCCNC4)nn3)cc2C1 426369234 NQTILLBKYGBJEO-INIZCTEOSA-N 400.531 1.020 0 50 HDAA CN(C)CCn1cc(NC(=O)c2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)ccc1=O 1320205726 DTNNIAWBALSUNT-QGZVFWFLSA-N 411.506 1.364 0 50 HDAA Cn1nc(C2CC2)nc1CNC(=O)c1cc(Br)cc2c1NC(=O)CO2 1857531259 YOQMSOCIOLBBTR-UHFFFAOYSA-N 406.240 1.716 0 50 HDAA COc1ccc(F)cc1C(=O)N[C@@H]1CN(C(=O)C[C@@H]2CCNC2=O)CCC12CCC2 1875334889 JDVDTARVRLHJQB-KBXCAEBGSA-N 417.481 1.862 0 50 HDAA CCSC[C@@H](C)c1cn(-c2ccc3c(c2)CN([C@@H]2CCC(=O)NC2=O)C3=O)nn1 1875355425 KDVOZQXANDMICK-SJKOYZFVSA-N 413.503 1.885 0 50 HDAA CCCO[C@@H]1CC[C@H](C(=O)NCCc2ncc[nH]2)C[C@H]1NC(=O)c1cc(C)[nH]n1 2100473194 FQKQRKXMIFWITO-ZMSDIMECSA-N 402.499 1.494 0 50 HDAA CC(=O)N(CCc1ccc(S(N)(=O)=O)cc1)[C@H]1CC(=O)N(c2ccccc2)C1=O 842698 INOLCOKGAJXQGW-SFHVURJKSA-N 415.471 1.057 0 50 HDAA Cn1c(=O)c2c(nc3n2CC(c2ccccc2)=NN3Cc2ccccc2)n(C)c1=O 4284851 BXMLQGXZDOHFON-UHFFFAOYSA-N 400.442 1.858 0 50 HDAA biogenic CCOC(=O)c1ccc(N2C(=O)C[C@@H](N3CCN(c4ccccn4)CC3)C2=O)cc1 4860268 PSYOXTXALDBHJY-GOSISDBHSA-N 408.458 1.712 0 50 HDAA CC(=O)N1CCN(Cc2ccccc2NC(=O)Cn2c(=O)cnc3ccccc32)CC1 170602425 HITWLRXQSHBNDJ-UHFFFAOYSA-N 419.485 1.699 0 50 HDAA CCC(CC)c1nnc(NC(=O)[C@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)s1 170610620 ODYYQWYHVHTJLV-QGZVFWFLSA-N 409.512 1.996 0 50 HDAA O=c1c2ccccc2ncn1C[C@H]1CC[C@H](C(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 252517335 GDVDKYGYKMMKGB-BZUAXINKSA-N 403.504 1.506 0 50 HDAA Cc1ccc2c(c1)N(CC(=O)c1c(N)n(CC(C)C)c(=O)n(C)c1=O)C[C@H](C)O2 253428404 CXSWEXYWUVNJJM-AWEZNQCLSA-N 400.479 1.564 0 50 HDAA COC(=O)c1cccc(NC(=O)CN2C(=O)NC3(C[C@H](C)C[C@@H](C)C3)C2=O)c1O 436714656 URYKKSAHMBUIGX-VXGBXAGGSA-N 403.435 1.864 0 50 HDAA CN1CCN(CCOc2ccccc2CN2C[C@@H](O)[C@H](Cc3ccncc3)C2)CC1 1529111979 DPTZMPRDLNQROL-DHIUTWEWSA-N 410.562 1.743 0 50 HDAA CCN1CC(=O)N2[C@H](c3ccc(OC)cc3)[C@H](C(=O)NCC3CCOCC3)C[C@@H]2C1 1857687266 NPUUNGHFMKLCNK-SYYKKAFVSA-N 415.534 1.832 0 50 HDAA Cc1nc(CN2CC(=O)N3[C@H](C[C@@H](C(=O)N4CCCCC4)[C@H]3CC(C)C)C2)n[nH]1 1857687661 YLIZWCJTNSUIJI-KZNAEPCWSA-N 402.543 1.573 0 50 HDAA CC[C@@H]1[C@H](C(=O)NCCc2cccs2)C[C@@H]2CN(Cc3ncc[nH]3)CC(=O)N21 1857688136 VITQUBZUAQZMJW-DJIMGWMZSA-N 401.536 1.641 0 50 HDAA COC(=O)[C@@H]1C[C@H](O)CN(C(=O)[C@]2(NC(=O)OC(C)(C)C)CCOC(C)(C)C2)C1 1875306221 XSPUHQSQHBCHQP-CKNLXJGOSA-N 414.499 1.221 0 50 HDAA O=C1CC[C@@H](N2Cc3c(cccc3-n3cc(C[C@H]4CCCCO4)nn3)C2=O)C(=O)N1 1875355944 HLESNTCHRGCYHW-RDTXWAMCSA-N 409.446 1.140 0 50 HDAA CCN1C[C@@H](C(=O)N2CCCC[C@H](NC(=O)c3ccc(C(N)=O)s3)C2)CCC1=O 2325864577 SSMHHNFMRPJESW-KBPBESRZSA-N 420.535 1.216 0 50 HDAA O=C1CC[C@H](N2Cc3ccc(CNC(=O)c4cc5c(s4)CCC5)cc3C2=O)C(=O)N1 2325887223 YNKGXERJDSYSHU-INIZCTEOSA-N 423.494 1.928 0 50 HDAA CCn1ncc(/C=c2/sc3n(c2=O)[C@@H](c2ccccc2)C(C(=O)OC)=C(C)N=3)c1C 2801714 RBTULOCKNZTODC-OXRZLYTFSA-N 422.510 1.933 0 50 HDAA NC(=O)C1(N2CCCCC2)CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 9875039 ZKWYYAYNMIJDNY-UHFFFAOYSA-N 403.907 1.974 0 50 HDAA CCc1ccc(CN2CCc3nnc(CNC(=O)[C@@H]4CCCN(C)C4)n3CC2)o1 12217709 CEBDKNPZWRHIOV-MRXNPFEDSA-N 400.527 1.450 0 50 HDAA CCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@@H](O)COc1ccccc1C 13370172 KCZDLRMVYSHLSP-CYBMUJFWSA-N 404.492 1.674 0 50 HDAA CCN1CCN(C[C@H](O)COc2cccc(CN(C)Cc3nccn3CC)c2)CC1 19799756 YSTNWFXCKMTFFJ-NRFANRHFSA-N 415.582 1.912 0 50 HDAA COc1cccc(OC)c1CN1CCc2nnc(CNC(=O)c3ccncc3)n2CC1 19837521 DSHKXZHXQMSGBE-UHFFFAOYSA-N 422.489 1.679 0 50 HDAA CCn1cc(S(=O)(=O)N2CCN(CC(=O)Nc3cccc(C)c3C)CC2)c(C)n1 36007115 ULZUFQASYGGTNJ-UHFFFAOYSA-N 419.551 1.773 0 50 HDAA Cc1ncn(-c2cc(N3CCN(C(=O)Cn4cnc5ccccc54)CC3)ncn2)c1C 72437743 FNBRXASTKRCKCK-UHFFFAOYSA-N 416.489 1.978 0 50 HDAA Cc1nccn1CCCNC(=O)[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(C)C 225513543 UZKHECQZPYJYLE-KRWDZBQOSA-N 403.508 1.461 0 50 HDAA COc1ccc(S(=O)(=O)NC[C@H]2CC[C@H](C(=O)N[C@H](CO)C(C)C)CC2)cc1 245256309 OJYSFGIOIVBYFF-GPMSIDNRSA-N 412.552 1.913 0 50 HDAA Cc1cc(C(=O)NC[C@@H]2CN(CC3CCN(CC4CC4)CC3)C(=O)CO2)nc(C)n1 299768615 KBSFGDJXQMLJPY-LJQANCHMSA-N 415.538 1.173 0 50 HDAA Cc1cccc2nc(C(=O)N[C@H]3C4CN5CCN(C4)CC3(c3ccccc3)C5)cn12 670450900 CKDGKHHJTRHQAJ-IGSLEHJCSA-N 401.514 1.940 0 50 HDAA Cn1c(=O)c(CN2C[C@@H]3CN(Cc4nccs4)C[C@]3(CO)C2)cc2ccccc21 1772706933 XADHHRIAVFRDHJ-GCJKJVERSA-N 410.543 1.921 0 50 HDAA O=C(Cc1cccc(F)c1)NC[C@@H]1CN(CC2CCN(CC3CC3)CC2)C(=O)CO1 1857687243 MRCSZEPPGXJCMQ-OAQYLSRUSA-N 417.525 1.834 0 50 HDAA N=c1cc(CN2CCC(N3C[C@@H](COc4ccc(F)cc4)OCC3=O)CC2)cc[nH]1 1875248616 AYRWEJYTHMWBNE-FQEVSTJZSA-N 414.481 1.904 0 50 HDAA O=C(Nc1cn(CC(F)(F)F)nc1C1CC1)N1CCC2(CC1)C[C@H](O)CNC2=O 1875329812 FCUOHQFGXJXPCD-LBPRGKRZSA-N 415.416 1.818 0 50 HDAA O=C(CO)N1CC[C@@]2(C1)C(=O)N(Cc1noc(-c3ccccc3)n1)c1ccccc12 2100556669 OKZJRJFOQGDNIA-QFIPXVFZSA-N 404.426 1.746 0 50 HDAA CCc1ccc(C(C)(C)C(=O)N[C@@H]2CN([C@@H]3CCN(CC)C3=O)C[C@H]2OC)cc1 2325794267 WIIGFPFTHUUSKG-VAMGGRTRSA-N 401.551 1.963 0 50 HDAA O=S(=O)(c1ccccc1)N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1 12321543 UIWGRFVCHXJZQN-UHFFFAOYSA-N 424.529 1.387 0 50 HDAA CCOC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OCC)[C@@H]1c1ccc(O)c(OCC)c1 13618008 ZVPURIHDZWQVOT-WIRSXHRWSA-N 408.447 1.957 0 50 HDAA COc1cc(/C=C/C(=O)N2CCN(CC(=O)N3CCCC3)CC2)cc(OC)c1OC 36379005 RCUDFXMNPQNBDU-VOTSOKGWSA-N 417.506 1.492 0 50 HDAA investigational CC[C@H](OC)C(=O)N1CCc2ccc(S(=O)(=O)Nc3nnc(C)s3)cc2C1 77423891 ZMXXOCJWOKMHPS-HNNXBMFYSA-N 410.521 1.957 0 50 HDAA O=C1CN(C(=O)[C@@H]2CCCN(C3CCN(c4nc5ccccc5o4)CC3)C2)CCN1 82109166 DEMKSYPUUKAJCY-MRXNPFEDSA-N 411.506 1.467 0 50 HDAA CC(C)NS(=O)(=O)c1cccnc1NC[C@H](O)COc1ccc2c(c1)OCO2 225465687 MOTBCJWVPRFPEH-ZDUSSCGKSA-N 409.464 1.349 0 50 HDAA COc1cccnc1CC(=O)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 225501735 LGBDBSXBZZLWJE-UHFFFAOYSA-N 407.467 1.695 0 50 HDAA Cc1n[nH]c(CN2CCC(N3C[C@@H](COc4ccc(F)cc4)OCC3=O)CC2)n1 299758124 CQZSVGXGNKZUSS-SFHVURJKSA-N 403.458 1.523 0 50 HDAA CN(C)c1ccnc(C(=O)N2CCC[C@H](c3n[nH]cc3C(=O)N3CCOCC3)C2)c1 328606635 SFPVDUVJWCVERJ-HNNXBMFYSA-N 412.494 1.363 0 50 HDAA COc1cccc(CN2CCC[C@]3(CCN(C(=O)Cn4ccnc4)C3)C2=O)c1OC 426737324 CEXSAJLVKWHPAQ-JOCHJYFZSA-N 412.490 1.942 0 50 HDAA CCCn1cc(NS(=O)(=O)c2ccc(N3C[C@H](C(=O)O)CC3=O)cc2)ccc1=O 920246245 ZJOKRFTVIYUWTL-CYBMUJFWSA-N 419.459 1.497 0 50 HDAA CC(C)N1CCCN(S(=O)(=O)c2ccc(NS(=O)(=O)N(C)C)cc2)CC1 952980397 KOMBNQMHKDSWTG-UHFFFAOYSA-N 404.558 1.010 0 50 HDAA COc1ccc([C@@H]2[C@@H](CO)OCCN2C(=O)Cc2ccc(CO)cc2)cc1OC 1529174453 UFCHFVRZOCTUNW-IFMALSPDSA-N 401.459 1.700 0 50 HDAA Nc1ncc(CN2C[C@@H]3CN(C(=O)Cc4c(F)cccc4Cl)C[C@@]3(CO)C2)cn1 1772807474 NZROLODJQLKIAN-JLTOFOAXSA-N 419.888 1.347 0 50 HDAA COc1ccc(Cl)cc1C(=O)N[C@@H]1CN(c2ncnc3[nH]ccc23)CC[C@@H]1O 1857674294 BWXLEFNAQUPJKR-CABCVRRESA-N 401.854 1.990 0 50 HDAA COc1cc(S(=O)(=O)NC(=O)[C@@H]2CC[C@@]3(CCOC3)O2)ccc1Br 2325829469 KQMXBHZQRVQSES-WFASDCNBSA-N 420.281 1.601 0 50 HDAA CCNc1nc(OCCNC(=O)COc2ccc(Cl)cc2C)nc(N(C)C)n1 2812773 MEFMWUYIFFFELR-UHFFFAOYSA-N 408.890 1.905 0 50 HDAA COC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CC(=O)c2sc(NC(=O)C3CCC3)nc2C1 12150608 NKASKRDHYKPQAB-AAEUAGOBSA-N 405.476 1.791 0 50 HDAA COC[C@H](O)CNC(=O)C1CCN(c2nc(-c3ccccc3)nc3c2CCC3)CC1 12592172 WSJARZVXSVOBMO-GOSISDBHSA-N 410.518 1.972 0 50 HDAA CC(=O)N1CCC(CNC[C@@]2(O)CCCN(Cc3ccc(F)c(F)c3)C2=O)CC1 12764068 MGGUPDHEAIIGAP-NRFANRHFSA-N 409.477 1.666 0 50 HDAA COC(=O)[C@@H](C)NC(=O)[C@H]1CCCN1S(=O)(=O)c1cc(C)c(Cl)cc1C 13153699 RARDHEXCDGEDBD-TZMCWYRMSA-N 402.900 1.788 0 50 HDAA CCOC(=O)c1nn(CCN(C)C)c2c1CN(Cc1ccc(C(=O)OC)cc1)CC2 20212498 OLJIQRKAYOQSCU-UHFFFAOYSA-N 414.506 1.966 0 50 HDAA O=C(NCCc1nnc2n1CCN(Cc1ccc3c(c1)OCO3)CC2)c1ccoc1 20450340 LOMQTWVAKRNRGP-UHFFFAOYSA-N 409.446 1.631 0 50 HDAA O=C(C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)N1CCC(c2ccccc2)CC1 32366216 AUYUQIVNCGGXKS-QGZVFWFLSA-N 403.504 1.558 0 50 HDAA COc1cc(CN2CCN(C3CCN(C(C)=O)CC3)C[C@H]2CCO)cc(OC)c1 39445637 ZJTRYIBEPRQIAN-HXUWFJFHSA-N 405.539 1.583 0 50 HDAA CN(Cc1ccon1)C(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(c4ccc(CCO)cc4)C(=O)[C@@H]13)O2 77470016 CCYMHXAZJLDZNJ-VWNVYAMZSA-N 409.442 1.154 0 50 HDAA COc1ccc(CCCN2C(=O)O[C@H]3CN(S(=O)(=O)N4CCCC4)C[C@H]32)cc1 206452568 GEUAFSFEZQFLIG-MSOLQXFVSA-N 409.508 1.473 0 50 HDAA C/C(=C\C(=O)NCCNS(=O)(=O)c1sc(=O)[nH]c1C)CCc1ccccc1 222060192 GNLNJWBWQBVUJO-OUKQBFOZSA-N 409.533 1.718 0 50 HDAA NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1S(=O)(=O)c1cc2c(cc1Cl)NC(=O)CO2 229766389 ACWDMASEMXBJKE-XDTLVQLUSA-N 413.883 1.478 0 50 HDAA O=C(Cc1ccccc1F)NC[C@@H]1CN(C2CCN(C3CCC3)CC2)C(=O)CO1 299782244 SIHUVXIFLUOYND-LJQANCHMSA-N 403.498 1.729 0 50 HDAA CCN(CC)[C@H]1CCN(CC(=O)N2CCCc3cc(S(=O)(=O)N(C)C)ccc32)C1 464776930 ODZLUTPFRKFUQA-SFHVURJKSA-N 422.595 1.632 0 50 HDAA Cc1ccc(NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)OCc2ccccc2)cc1-n1cnnn1 735880500 WZAKIQUMMWUMCA-MJGOQNOKSA-N 422.445 1.681 0 50 HDAA COc1cccc(C(=O)N2CCC(C(=O)NCCSc3n[nH]c(C)n3)CC2)c1 824766891 HNCPKGNZZUKMSI-UHFFFAOYSA-N 403.508 1.882 0 50 HDAA O=C1N[C@@H](C(=O)Nc2ccc(OCC(=O)N3CCOCC3)cc2)Cc2ccccc21 827780175 YYIPOCFXYALGSE-LJQANCHMSA-N 409.442 1.217 0 50 HDAA Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1NC(=O)CN1CCc2ccccc2C1 1529194842 DFOUIYVQEFLAJP-SFHVURJKSA-N 402.520 1.856 0 50 HDAA C[C@@]1(NC(=O)c2cnccn2)CCOC2(CCN(Cc3cscn3)CC2)[C@H]1O 1772706546 SVSUZZAHCSZVMQ-ZWKOTPCHSA-N 403.508 1.238 0 50 HDAA CSCC(=O)N1C[C@@H]2CN(C(=O)CCn3nc(C)cc3C)C[C@]2(CN(C)C)C1 1772711668 CKHKMIXHXVPGTC-FXAWDEMLSA-N 407.584 1.102 0 50 HDAA CC[C@H]1[C@@H](C(=O)NCc2c(C)n[nH]c2C)C[C@H]2CN(C(=O)NC(C)C)CC(=O)N21 1857671481 YNRDTQPMBRJDGY-ZOBUZTSGSA-N 404.515 1.072 0 50 HDAA O=C(N[C@@H]1CN(CCS(=O)(=O)c2ccccc2)CC[C@@H]1O)c1ccc(F)cc1 1857699368 SLEVAGGIEKYVGB-MOPGFXCFSA-N 406.479 1.465 0 50 HDAA CC(C)c1ccc(N2CC[C@H](O)[C@H](NC(=O)c3cnnn3-c3ccccc3)C2)nn1 1857726846 FUWJJBLXEAZFEB-MJGOQNOKSA-N 407.478 1.550 0 50 HDAA Cc1nc[nH]c1C(=O)NC[C@H]1[C@H]2CN(Cc3n[nH]c(C)c3Cl)C[C@]23CC[C@H]1O3 1857736363 QLOBIDSTJRFOEU-FAYLSGKYSA-N 404.902 1.812 0 50 HDAA O=C1CO[C@@H](Cn2ccnc2-c2cncnc2)CN1CC1CCN(CC2CC2)CC1 1857741022 YJKWJZQSTHMNQH-FQEVSTJZSA-N 410.522 1.690 0 50 HDAA Nc1cccc(C(=O)N2CC3(NC(=O)c4nc[nH]c5nccc4-5)CCC2CC3)c1N 1875330203 RZHMZNXHFIZZJZ-UHFFFAOYSA-N 405.462 1.641 0 50 HDAA COc1cc(CN2CC[C@H](NC(=O)N[C@@H]3CCN(C4CC4)C3=O)C2)cc(OC)c1 2325706637 SZYXCDRGXXAZNK-HNAYVOBHSA-N 402.495 1.341 0 50 HDAA O=C(NC(=S)Nc1cccc(F)c1)c1cccc(S(=O)(=O)N2CCOCC2)c1 1142929 KXWGYICLWGFZRB-UHFFFAOYSA-N 423.491 1.973 0 50 HDAA CCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1C[C@@H](O)COc1ccccc1C 4135785 SPUUSHVPYXPSPA-CQSZACIVSA-N 401.467 1.004 0 50 HDAA COc1ccccc1CN1CCN2C(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H]2C1 14750333 LHMGXXTZOZAXLA-LEWJYISDSA-N 418.497 1.930 0 50 HDAA O=C(C[C@@H]1C(=O)NCCN1Cc1cccc(C(F)(F)F)c1)NCCCn1cccn1 14957250 GSIAOBFHMSVUBP-QGZVFWFLSA-N 423.439 1.799 0 50 HDAA COc1ccc(OC)c(CN2CCN(CCn3cc(C(=O)NC(C)C)nn3)CC2)c1 19850279 BEDXLCVODBUICJ-UHFFFAOYSA-N 416.526 1.251 0 50 HDAA CC[C@@H](NC(=O)C1CCN(S(C)(=O)=O)CC1)c1ccc(S(C)(=O)=O)cc1 65363245 VHXVKZDZDSFVIV-MRXNPFEDSA-N 402.538 1.329 0 50 HDAA CN1CCN([C@H]2CCN(C(=O)COCc3ccccc3)C[C@H]2CCC(=O)O)CC1 95531741 XEHWNXDJPWIQIV-UXHICEINSA-N 403.523 1.533 0 50 HDAA COC(=O)C[C@@H](c1ccc2c(c1)n(C)c(=O)n2C)c1c(O)ncc(C(=O)OC)c1O 253623740 JJYXNFCTQFXQKF-NSHDSACASA-N 415.402 1.165 0 50 HDAA biogenic COC(=O)c1cnc(O)c([C@H](CC(N)=O)c2coc3ccc(OC)cc3c2=O)c1O 253623836 PLZXTYDSZATGFN-SNVBAGLBSA-N 414.370 1.402 0 50 HDAA biogenic O=C(CCOc1ccccc1)N1CCC(C(=O)N2CCN(c3ncc[nH]3)CC2)CC1 328591297 QPMWYKBAWCLNRF-UHFFFAOYSA-N 411.506 1.766 0 50 HDAA Cc1nonc1OCCNC(=O)c1ccc2c(c1)nc(O)n2[C@H]1CC[C@H](O)CC1 426494690 VJUZMKWKGIEYHZ-HDJSIYSDSA-N 401.423 1.718 0 50 HDAA N[C@@H]1CN(C(=O)C(=O)N2CCC(OC[C@@H]3CCOC3)CC2)C[C@H]1c1ccc(F)cc1 1875309557 CESZLXZIKPOZFL-UIAACRFSSA-N 419.497 1.123 0 50 HDAA Cc1cc(N2CCN(C(=O)C(=O)NC/C=C/Br)CC2)nc(C(C)C)n1 1875330393 QAZVSUOXHVBSEO-SNAWJCMRSA-N 410.316 1.582 0 50 HDAA O=C(N=c1ccn(-c2ncccc2F)[nH]1)NCCS(=O)(=O)NC1CCCCC1 2325708161 IHRPXGBARVNYIM-UHFFFAOYSA-N 410.475 1.202 0 50 HDAA CC(C)(CNC(=O)C[C@](C)(O)C(F)(F)F)CNC(=O)C[C@@](C)(O)C(F)(F)F 2325726783 ZDDSBPLJCVLGRR-BETUJISGSA-N 410.355 1.652 0 50 HDAA C=CC(=O)N(C)CC(=O)N1CCCC[C@H]1c1n[nH]cc1I 2325787044 YZSIBYPJBWTEKE-NSHDSACASA-N 402.236 1.712 0 50 HDAA C[C@@H]1C[C@H](C(=O)N[C@H](Cc2cc(I)ccc2F)C(=O)O)CO1 2325877286 NVYBCMZQKPPRGT-DFAYQTQMSA-N 421.206 1.967 0 50 HDAA N=c1nc2c(c[nH]1)CC[C@]21CCCN(C(=O)CCn2cnc3ccccc3c2=O)C1 2356136166 IVRRAWLATXHWSY-QFIPXVFZSA-N 404.474 1.496 0 50 HDAA COC(=O)[C@H](C)Sc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1Cl 629019 RMQHHRQWHAXVBH-JTQLQIEISA-N 422.894 1.789 0 50 HDAA COc1ccc(Br)cc1-c1nnc2n(C)c3c(=O)[nH]c(=O)n(C)c3n12 10969893 YKZWHNCKTHKJFO-UHFFFAOYSA-N 405.212 1.046 0 50 HDAA CC[C@H](C(=O)N1CCC(C(N)=O)CC1)N(c1cccc(Cl)c1)S(C)(=O)=O 13712456 HNWZDWWILLBCHE-OAHLLOKOSA-N 401.916 1.609 0 50 HDAA COc1ccccc1N1CCN(C(=S)Nc2ccc(S(N)(=O)=O)cc2)CC1 13830541 GLCHTBCAYGNHMR-UHFFFAOYSA-N 406.533 1.862 0 50 HDAA O=C1c2ccccc2C(=O)N1C[C@H]1c2ccccc2CCN1C(=O)CN1CCOCC1 19288422 DWECDRMAVZTGQF-NRFANRHFSA-N 419.481 1.741 0 50 HDAA CCOC(=O)c1cc(CC)sc1NC(=O)CN1CCN(C(=O)[C@@H]2CCCO2)CC1 35802377 VQHBZOZQAAOWLY-INIZCTEOSA-N 423.535 1.749 0 50 HDAA COc1cccc(NC(=O)CN2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c1 35889315 UASKORIQULDNPC-UHFFFAOYSA-N 407.467 1.779 0 50 HDAA CN1CCN(c2cc(N3CCN(C(=O)c4c(F)cccc4Cl)CC3)ncn2)CC1 77137503 QPNONMBWUDAYSH-UHFFFAOYSA-N 418.904 1.983 0 50 HDAA CN(Cc1cnccn1)C(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(Cc4ccc(F)cc4)C(=O)[C@@H]13)O2 77406632 YETZPOGYWFTUHL-JYLXEMOASA-N 408.433 1.556 0 50 HDAA CCn1c(Cn2cncn2)nnc1C1CCN(C(=O)CN2CCCCCC2)CC1 96152463 UOSRQVRJTCFGRV-UHFFFAOYSA-N 400.531 1.520 0 50 HDAA CCOc1nc(NC[C@H]2CCCO2)nc(N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)n1 245255829 LMNIOCFOSWSGKT-OWCLPIDISA-N 412.494 1.647 0 50 HDAA COc1ccc(CC(=O)N2CCC[C@@H](n3ncc(N4CCOCC4)cc3=O)C2)cc1 328603993 IBNUHLWVAXTSMR-GOSISDBHSA-N 412.490 1.495 0 50 HDAA Cc1nc(C)c(C(=O)Nc2ccc(S(=O)(=O)N3C[C@@H]4C[C@H]5C[C@H]4[C@@H]3[C@@H]5O)cc2)o1 408521178 KQZIFDDRZUJNTE-LFYPYMNQSA-N 417.487 1.934 0 50 HDAA COc1ccc(S(=O)(=O)N2CCC3(CC2)C(=O)N(C)C(=O)N3C)cc1Cl 1506398324 AOZDAMZMFWMKDZ-UHFFFAOYSA-N 401.872 1.396 0 50 HDAA CN(C)S(=O)(=O)C[C@@H]1CN(Cc2cc(Cl)cc3c2OCC3(C)C)C[C@H]1O 1857719112 DLFMGYYIPHNWAH-XJKSGUPXSA-N 402.944 1.694 0 50 HDAA CN(C)S(=O)(=O)C[C@@H]1CN(c2nc(-c3ccccc3)ccc2C(=O)O)C[C@H]1O 1857736997 YZLJJCRUKWMWGJ-WMLDXEAASA-N 405.476 1.135 0 50 HDAA COCC(=O)N[C@@H]1CN2CCCC[C@@]2(C(=O)NCc2c(C)ccc3ncccc23)C1 1875249376 ZREVDPDOEASNLT-SBUREZEXSA-N 410.518 1.919 0 50 HDAA O=C1CC[C@@H](c2ccccc2)CCNC(=O)CN(C(=O)C2CCOCC2)CCCN1 1940193622 QVVDLYCCYCBXJJ-LJQANCHMSA-N 415.534 1.832 0 50 HDAA COc1cc2c(cc1OC)C1(CCN(C(=O)[C@H]3CCn4ncnc4C3)CC1)OCC2 2356152813 BMCCENPAWVQRQV-INIZCTEOSA-N 412.490 1.948 0 50 HDAA COc1ccc(CCNS(=O)(=O)c2ccc([C@@H]3CNC(=O)C3)cc2)cc1OC 1060300 FFTSGPSOPOGGIB-INIZCTEOSA-N 404.488 1.828 0 50 HDAA NCCCC[C@H](N[C@H](CCc1ccccc1)C(=O)O)C(=O)N1CCC[C@H]1C(=O)O 5851734 RLAWWYSOJDYHDC-KSZLIROESA-N 405.495 1.235 0 50 HDAA biogenic,in-vitro COC(=O)C1CCN(C[C@@H](O)COc2ccc(CNCC(F)(F)F)cc2)CC1 12745219 UYCDICLEMQGFKC-MRXNPFEDSA-N 404.429 1.963 0 50 HDAA CC(C)(C)CN1CCNC(=O)[C@H]1CC(=O)N1CCN(CCOc2ccccc2)CC1 15073149 BXNYABUDQYZOGP-HXUWFJFHSA-N 416.566 1.446 0 50 HDAA CN(CCC(N)=O)C(=O)[C@@H]1CCCN(C2CCN(C3Cc4ccccc4C3)CC2)C1 91713996 PZTBPAKTZKPNKB-HXUWFJFHSA-N 412.578 1.664 0 50 HDAA O=C(Cc1ccccn1)NC[C@@H]1CN(CC2CCN(CC3CC3)CC2)C(=O)CO1 299778903 IPDKKLSWZDDOEK-HXUWFJFHSA-N 400.523 1.090 0 50 HDAA O=C(NCCN1CCCC[C@@H]1CO)c1sccc1S(=O)(=O)N1CCCC1 670466685 NYOMIRTZFBJLJD-CQSZACIVSA-N 401.554 1.109 0 50 HDAA CC(=O)N1CC[C@H](NC(=O)[C@H]2CCCCN2C(=O)c2ccc(O)nn2)c2ccccc21 1324466281 KTURMYPHLBMTGR-QFBILLFUSA-N 423.473 1.791 0 50 HDAA CC(C)c1ccc(C(=O)N2CCCN(C(=O)[C@H](C)N3CCCC3=O)CC2)c(O)n1 1529095741 VSQCXYAMWVNVKJ-HNNXBMFYSA-N 402.495 1.596 0 50 HDAA Cc1cc(C(=O)NC[C@H]2[C@H]3CN(Cc4c[nH]nc4C(=O)O)C[C@]34CC[C@H]2O4)c(C)o1 1704297720 FHZFAQVFCHXIDF-BIZBXSGISA-N 414.462 1.727 0 50 HDAA CC(=O)c1ccc(N2C[C@@H]3CN(C(=O)C4CCOCC4)C[C@]3(CN(C)C)C2)nc1 1772808720 ZNOFMOHMLACEBU-KNQAVFIVSA-N 400.523 1.537 0 50 HDAA COc1cccc(CN2C[C@@H]3CCOC[C@]3(C(=O)O)C2)c1OCCn1ccnc1 1857668950 HPWIXYLBVCTHBP-LAUBAEHRSA-N 401.463 1.894 0 50 HDAA CC(C)N(C)CCNC(=O)c1cc2c(s1)C1(CCN(CC(=O)O)CC1)OCC2 1857681931 QNKBEMXNIZDWBH-UHFFFAOYSA-N 409.552 1.767 0 50 HDAA CN1C[C@@H](N=c2[nH]c(-c3ccccc3)nc3c2CCC32CCN(CCO)CC2)CC1=O 1857687795 FLPZKOLHSANQQK-SFHVURJKSA-N 421.545 1.480 0 50 HDAA COCCN1CCC2(CCc3c2nc(-c2ccccc2)[nH]c3=N[C@H]2COC[C@H]2O)CC1 1857694823 YAXXFUNLLPZTEZ-VQTJNVASSA-N 424.545 1.663 0 50 HDAA CCOC(=O)C1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)CC1 780746 DWDNUEYZSOPXOD-UHFFFAOYSA-N 402.900 1.762 0 50 HDAA COc1ccc(-c2cc(C(=O)N3CCN(C)CC3)cc(-n3cnnn3)c2)cc1OC 12280061 ZWTYLDOOYNAKAA-UHFFFAOYSA-N 408.462 1.734 0 50 HDAA COc1ccc(N2C(=O)C[C@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2=O)cc1 19360983 VDBOKNHSVAVMOC-IBGZPJMESA-N 423.469 1.874 0 50 HDAA CCCCn1c(CN2CCOC[C@H]2CC(=O)OCC)cnc1S(=O)(=O)CC 20912033 RKANAZURCQMKJD-OAHLLOKOSA-N 401.529 1.631 0 50 HDAA COc1cc(OC)cc(C(=O)N2CCN(c3ccnc(N4CCOCC4)n3)CC2)c1 72437678 BUPXGQYQIFZUHN-UHFFFAOYSA-N 413.478 1.293 0 50 HDAA Cc1ccc(CCN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N(C)Cc3nccn3C)[C@H]4C2=O)cc1 77424963 KJSBPPBRPMWMNK-UQWVPHONSA-N 420.513 1.712 0 50 HDAA COc1cc(/C=C/C(=O)N2CCCCC2=O)cc(OC)c1OCCN1CCOCC1 209733153 MUVPSNBQKUTVPB-VOTSOKGWSA-N 418.490 1.967 0 50 HDAA CCc1c(OCC(=O)Nc2cc(OC)c(OC)c(OC)c2)c(=O)ccn1CCO 263587696 KFHLGHNSELKZEH-UHFFFAOYSA-N 406.435 1.446 0 50 HDAA Cc1noc(C)c1CN1CCc2c(C(=O)N3CCS(=O)(=O)CC3)csc2C1 426678264 ZWXOQUUWMBPXDT-UHFFFAOYSA-N 409.533 1.782 0 50 HDAA Cc1cc(N2CCN(C(=O)c3ccc(=O)n(C)n3)CC2)nc(-c2ccccc2O)n1 952978978 COAMDBWIVSVWFW-UHFFFAOYSA-N 406.446 1.214 0 50 HDAA Cc1c(C(=O)N2CCC3(CC2)CO[C@@H](CN)C3)nnn1Cc1ccc(F)cc1F 1775988883 NUBZCMSDDIAFLD-MRXNPFEDSA-N 405.449 1.883 0 50 HDAA CCCCc1ccc(CN2C[C@@H]3COC[C@]3(C(=O)NCc3nc(=N)[nH][nH]3)C2)s1 1857689412 CSULLNKQTWJKCA-BFUOFWGJSA-N 404.540 1.386 0 50 HDAA Cc1cc(O)cc(C(=O)N2CC3(CCOCC3)C[C@@H]2CNC(=O)c2cncnc2)c1 1875358971 OXWXCXOBXXWALW-GOSISDBHSA-N 410.474 1.932 0 50 HDAA COc1cccc(N(CC(=O)N2CCN(c3ccc(F)cc3)CC2)S(C)(=O)=O)c1 916576 GVJAEANENQXPSY-UHFFFAOYSA-N 421.494 1.949 0 50 HDAA CCOc1ccc(CN2CCNC(=O)[C@H]2CC(=O)N2CCC(COC)CC2)cc1 12431775 ASIFTJCFZFGGEN-HXUWFJFHSA-N 403.523 1.661 0 50 HDAA CC(C)CN1C[C@@H](OCc2ccccc2)CN(C(=O)CN2CCOC2=O)CC1=O 14537608 OWARCOJFXJBNRA-GOSISDBHSA-N 403.479 1.351 0 50 HDAA COCCS(=O)(=O)c1ncc(CN(C)Cc2ccncn2)n1Cc1ccccc1 15079932 YWNBPAJRVWYKII-UHFFFAOYSA-N 415.519 1.774 0 50 HDAA c1coc([C@H]2N=C3NCN(CCN4CCOCC4)CN3c3nc4ccccc4n32)c1 20101789 AUFDIERRBSOWTA-IBGZPJMESA-N 407.478 1.505 0 50 HDAA O=C1CC[C@@H](C(=O)N2CCC(c3ccncc3)CC2)CN1CCCN1CCOCC1 20538068 UXBYIQHWNCYJHN-OAQYLSRUSA-N 414.550 1.749 0 50 HDAA Cc1ccc(C)c(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N(C)Cc3cc[nH]n3)[C@@H]4C2=O)c1 77376172 QCOALOYPLVCLQH-GJPOJAMWSA-N 406.486 1.967 0 50 HDAA O=C(c1cccnn1)N1CCc2cc(S(=O)(=O)NC[C@H]3CCCO3)ccc2C1 77565833 HFXLFFFWDHXKKU-MRXNPFEDSA-N 402.476 1.132 0 50 HDAA COc1ccc(CN(C)Cc2ncc[nH]2)c(OC[C@H](O)CN2CCN(C)CC2)c1 95520741 AMURCUAPZFHKDQ-GOSISDBHSA-N 403.527 1.037 0 50 HDAA CC(=O)OC(OC(C)=O)[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]12 239046651 FVMVBNZVDHMILW-QZNHQWIBSA-N 405.790 1.605 0 50 HDAA CC[C@H](C)NC(=O)Cn1c(=O)ncc2cc(S(=O)(=O)N3CCCC[C@H]3C)ccc21 248141850 CIZMTNGRJGCKQQ-LSDHHAIUSA-N 420.535 1.874 0 50 HDAA O=C(C[C@H]1NC(=O)c2ccccc2N=C1O)NC1CCN(Cc2cccnc2)CC1 252506578 WAQZYKRESISBCJ-LJQANCHMSA-N 407.474 1.953 0 50 HDAA CCOC(=O)[C@@H](C)NC(=O)c1ccc(NC(=O)C(=O)N2CCCC[C@H]2CCO)cc1 429814523 MDPWYTVYVMRPSE-PBHICJAKSA-N 419.478 1.070 0 50 HDAA O=C(Cn1cnnn1)N1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(OC(F)(F)F)cc2)CC1 479694392 ZAQLRRMMCUEXTO-LSDHHAIUSA-N 424.383 1.046 0 50 HDAA O=C1COc2ccc(S(=O)(=O)N(Cc3ccccn3)C[C@@H]3CCCO3)cc2N1 952981998 NMAVWWMLPVPIJJ-HNNXBMFYSA-N 403.460 1.782 0 50 HDAA O=C(c1ccc(Cn2cnnn2)cc1)N1C[C@H](Cc2ccnc3ccccc23)[C@@H](O)C1 1616069263 MURDSPPGGRGTPM-UGKGYDQZSA-N 414.469 1.945 0 50 HDAA COCCNc1noc(-c2ccc(Cl)cc2)c1C(=O)N1C[C@H](O)[C@@H](N(C)C)C1 1704333454 AEVCTOHZORYFJE-GJZGRUSLSA-N 408.886 1.800 0 50 HDAA O=C(c1cncnc1O)N1CCC[C@]2(CCc3c(O)nc(-c4cccnc4)nc32)C1 1857667271 TYCHNUYFMXQBHF-NRFANRHFSA-N 404.430 1.860 0 50 HDAA N[C@H](Cc1ccccc1)c1nc(CC2CC2)nn1CC(=O)NCCCn1ccnn1 1857687526 XGHUNYHMDZYSQF-GOSISDBHSA-N 408.510 1.271 0 50 HDAA O=C(Cc1ccccc1)N1C[C@@H]2COC[C@]2(C(=O)NCCn2cc(Cl)cn2)C1 1857689262 LLPCSDKTPXZQPP-OXQOHEQNSA-N 402.882 1.370 0 50 HDAA COC[C@](C)(NC(=O)c1cc(Br)c(Br)s1)C(N)=O 2325727889 YZDYRCCLXYPTFW-JTQLQIEISA-N 400.092 1.893 0 50 HDAA CS(=O)(=O)Cc1c(C(=O)N[C@H]2CCC(=O)NC23CCOCC3)oc2ccccc12 2325827679 NDFSSOXAUBAAGZ-INIZCTEOSA-N 420.487 1.535 0 50 HDAA CCN(CCC(=O)Nc1ccc(C(N)=O)cc1)C(=O)C1CC2(C1)[C@H](C(=O)O)C2(F)F 2325878317 KXNHMAPPJFUGIN-IHBYNMNLSA-N 423.416 1.709 0 50 HDAA Cc1nn(CCCNC(=O)C2CCN(S(C)(=O)=O)CC2)c(C)c1Br 2804639 BBLIYDQFECWYEA-UHFFFAOYSA-N 421.361 1.440 0 50 HDAA CN1CCN(S(=O)(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)CC1 4750562 QQZRLXXXCUYOIQ-UHFFFAOYSA-N 401.535 1.485 0 50 HDAA O=C(NCC1(N2CCOCC2)CCCCC1)c1ccc(CN2CCCC2)[nH]c1=O 12042863 VVDUYZUFMKNKRC-UHFFFAOYSA-N 402.539 1.736 0 50 HDAA COCCS(=O)(=O)c1ncc(CN(C)Cc2nonc2C)n1Cc1ccccc1 15066549 PTVJRFCOCOYJCM-UHFFFAOYSA-N 419.507 1.675 0 50 HDAA Cc1nccn1CCN(C)C(=O)C[C@@H]1C(=O)NCCN1Cc1c(F)cccc1Cl 19148431 QZWBYHUHJZIVLC-GOSISDBHSA-N 421.904 1.833 0 50 HDAA CCS(=O)(=O)N1CCN(C(=O)[C@@H]2CC(c3c(F)cccc3Cl)=NO2)CC1 20602638 NDTDRZHXKLOBOL-AWEZNQCLSA-N 403.863 1.466 0 50 HDAA O=S(=O)(c1ccc(F)c(F)c1)N1CCN(c2cc(-n3cccn3)ncn2)CC1 67629945 RZZVVHMQONGWHA-UHFFFAOYSA-N 406.418 1.451 0 50 HDAA CCN1CCN(C[C@H](O)COc2cccc(CN(C)Cc3noc(C)n3)c2)CC1 95512301 MWUPQHUXRBVKFX-IBGZPJMESA-N 403.527 1.387 0 50 HDAA O=C(C[C@@H]1NC(=O)c2ccccc2NC1=O)NCCn1cnc2cc(Cl)ccc21 253414022 WGHVCJYPZXICJV-INIZCTEOSA-N 411.849 1.947 0 50 HDAA biogenic Cc1nn(Cc2ccccc2)c(C)c1[C@H]1COCCN1C(=O)C1=NN2CCCN=C2N1 952895051 XVEBHSZWTQVXNY-GOSISDBHSA-N 421.505 1.427 0 50 HDAA Cc1[nH]nc(CN2C[C@@H]3CN(C(=O)COCc4ccccc4)C[C@@]3(CO)C2)c1Cl 1772814789 BMAMZVOKHVDGQK-DYESRHJHSA-N 418.925 1.841 0 50 HDAA Cc1ccc2c(c1)C(=O)NCCN(C(=O)c1ccncc1)CCCC(=O)NCCO2 1857670058 NMRBAYWMCBHZAG-UHFFFAOYSA-N 410.474 1.551 0 50 HDAA O=C(NC[C@H]1CN(CC2CCN(CC3CC3)CC2)C(=O)CO1)c1cc(O)ccc1F 1857675512 BJBAEAVHMKERSG-SFHVURJKSA-N 419.497 1.611 0 50 HDAA COc1ccc(O)cc1-c1nccn1[C@@H]1C[C@H]2CO[C@@H](CC(=O)N(C)C)CN2C1 1857719828 VMALXLZWJVRRHC-VYDXJSESSA-N 400.479 1.757 0 50 HDAA O=C(c1cc(=O)n(-c2ccccc2)[nH]1)N1C[C@@H](O)[C@]2(C1)[C@H](c1ccccc1)[C@H]2CO 1857733157 XRNNMQINIHCLHR-HGPLWSSJSA-N 405.454 1.375 0 50 HDAA O=C(NCC1(CO)CCC1)[C@@H]1CC(=O)N(c2nnc(Cc3ccccc3)s2)C1 1857736851 YTEMKRBVWZJHRA-OAHLLOKOSA-N 400.504 1.761 0 50 HDAA C[C@H]1CN(C(=O)[C@H]2CC[C@@H](O)[C@H](NC(=O)c3cnc(C4CC4)nc3)C2)C[C@@H](C)O1 2100482195 FLNLJPQZEAOUQH-ORAAPJFESA-N 402.495 1.249 0 50 HDAA O=C([C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1)N1CCOCC1 2871251 YOCQFSSDTTVPLV-ZDUSSCGKSA-N 417.325 1.709 0 50 HDAA CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3ccc(F)cc3)cc2)CC1 8048343 OKJMJQSNQVTBHU-UHFFFAOYSA-N 405.451 1.931 0 50 HDAA COc1ccc(C(=O)NCCn2cc(C(=O)NCc3ccc(C)cc3)nn2)cc1OC 15004574 OLUZNDWUSMIQPQ-UHFFFAOYSA-N 423.473 1.964 0 50 HDAA CCOc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H](C(=O)NCCOC)C1 16527282 GASKSLFFJHXEGK-ZDUSSCGKSA-N 404.916 1.902 0 50 HDAA CN1CCC(N(C)C(=O)C[C@H]2C(=O)NCCN2Cc2ccc(F)cc2Cl)CC1 55182566 ALQBUCZCVNFTJM-SFHVURJKSA-N 410.921 1.722 0 50 HDAA CN(Cc1ccc(C(=O)N2CCC(C(N)=O)CC2)cc1)S(=O)(=O)c1ccccc1 65363804 TVMXCHVDZVTBSC-UHFFFAOYSA-N 415.515 1.845 0 50 HDAA C=CC(=O)N1CC(N2CCN(C(=O)CNc3cc(C4CC4)c(Cl)cc3O)CC2)C1 219212838 LTHUJAPYGTUVMD-UHFFFAOYSA-N 418.925 1.876 0 50 HDAA Cc1noc(C)c1CC(=O)NC[C@H]1CN(C2CCN(C3CCC3)CC2)C(=O)CO1 299758876 LGYUQKUAYWVGBY-SFHVURJKSA-N 404.511 1.194 0 50 HDAA Cc1nc(C(=O)NC[C@H]2CN(CC3CCN(CC4CC4)CC3)C(=O)CO2)c(C)s1 299786026 OZNIOGDGOQLSSK-SFHVURJKSA-N 420.579 1.839 0 50 HDAA COCCn1c([C@@H](C)NC(=O)Cn2nnc3ccccc3c2=O)nc2ccccc21 334161708 HCJQNYYQNSYWGM-CQSZACIVSA-N 406.446 1.665 0 50 HDAA CCN1C[C@]2(COC)CC[C@H](OC)[C@]34[C@@H]5C[C@@H]6[C@@H](OC)C[C@](O)([C@H](C[C@H]23)[C@@H]14)[C@H]5[C@H]6O 605699111 BDCURAWBZJMFIK-JPSQXIGVSA-N 421.578 1.531 0 50 HDAA O=C(C[C@H]1NC(=O)N(Cc2ccccc2)C1=O)N1C[C@@H]2C[C@H](C1)CN1C(=O)CCC[C@@H]21 888090774 TYZUMFAJMLBQHP-HCXYKTFWSA-N 424.501 1.357 0 50 HDAA NC(=O)c1cccnc1N1CCN(C(=O)CCC(=O)Nc2ccc3c(c2)CCC3)CC1 952966953 LJXBZCAJTQMGHK-UHFFFAOYSA-N 421.501 1.737 0 50 HDAA CN(C[C@@H]1CC(=O)N(C2CCCC2)C1)C(=O)c1ccc(N(C)S(C)(=O)=O)cc1 952978320 LDDGPSVZDZLDOW-HNNXBMFYSA-N 407.536 1.946 0 50 HDAA O=C(NCC[C@@H]1COCCN1C(=O)CCc1n[nH]c2c1CCCC2)C1CCOCC1 1857674014 XHHCPXUOMAGTPN-QGZVFWFLSA-N 418.538 1.381 0 50 HDAA CCc1ccc(S(=O)(=O)N2CCN(C(=O)C3CCN(C(C)=O)CC3)CC2)cc1 6741582 HSVSPQJDZKQAQL-UHFFFAOYSA-N 407.536 1.340 0 50 HDAA O[C@@H](c1cccs1)C1CCN(c2nc3nonc3nc2N2CCOCC2)CC1 14952595 KBMZMGNLZBPAQU-CQSZACIVSA-N 402.480 1.861 0 50 HDAA CC[C@@H](C)n1c(C)c(C)n2c3c(=O)n(CCN4CCOCC4)c(=O)n(C)c3nc12 20062003 KVZYILNBDGLKEO-CYBMUJFWSA-N 402.499 1.069 0 50 HDAA CCCCN1CCN([C@H](C(=O)N2CCc3n[nH]cc3C2)c2ccccc2)C(=O)C1=O 77287517 NVKHQYBCCRJBMB-IBGZPJMESA-N 409.490 1.507 0 50 HDAA Cc1cc(CNS(=O)(=O)c2ccc3c(c2)CCN(C(=O)[C@@H](O)C(C)C)C3)no1 77342466 DQKDHBLDNJVISB-SFHVURJKSA-N 407.492 1.363 0 50 HDAA CCS(=O)(=O)NCc1ccc(C(=O)NC[C@@]2(O)[C@H]3[C@@H]4C[C@@H]5[C@@H]6C[C@@H]([C@@H]3[C@@H]64)[C@@H]52)cc1 428016457 WUCGJNNZAJEPAI-PYGSNRKYSA-N 416.543 1.365 0 50 HDAA Cc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NCc2ccccc2-n2ccnc2)o1 827801718 WLFXAASNVCBHMD-FQEVSTJZSA-N 407.474 1.781 0 50 HDAA Cc1cc(C)c2nonc2c1S(=O)(=O)N1CCCN(C(=O)c2ccco2)CC1 952965059 CAPMSZYLLPOZKW-UHFFFAOYSA-N 404.448 1.969 0 50 HDAA COC[C@@H]1CCCN(S(=O)(=O)N2CCN(C(=O)c3ccccc3OC)CC2)C1 1506420960 FCGHUTWNYQJRKE-MRXNPFEDSA-N 411.524 1.056 0 50 HDAA CCOc1ccc2nc(O)c(CN3C[C@H](O)[C@H](CS(=O)(=O)N(C)C)C3)cc2c1 1704352591 XQLLFFUANYYKDN-YJBOKZPZSA-N 409.508 1.023 0 50 HDAA O=C(N[C@H]1CC[C@H](C(=O)NCCCn2ccnc2)C[C@@H]1O)c1ccc(F)cc1F 1857686743 FVOVLGPBBRISLU-KKXDTOCCSA-N 406.433 1.627 0 50 HDAA Cn1nncc1CC(=O)N1CC[C@@H]2CN(C(=O)c3cccc4c[nH]nc34)C[C@@H]2CC1 1875360391 HEJPGQPKIYWERQ-IYBDPMFKSA-N 407.478 1.245 0 50 HDAA Cc1noc(C)c1S(=O)(=O)N1CCCCNC(=O)C[C@@H]2CCCCN2CCC1 2100533380 MTDBRHPNEUWINB-KRWDZBQOSA-N 412.556 1.827 0 50 HDAA Cn1ncc(I)c1C(=O)Nc1sc2c(c1C(N)=O)CCC2 2770915 JZQIEMICYPYBLF-UHFFFAOYSA-N 416.244 1.926 0 50 HDAA COc1ccc(F)cc1S(=O)(=O)N1CCC(C(=O)NCc2ccncc2)CC1 10302868 NJHUMSDYBUYUAJ-UHFFFAOYSA-N 407.467 1.946 0 50 HDAA CN(Cc1cccc(OC[C@H](O)CN2CCOCC2)c1)Cc1ccc2nonc2c1 12578765 QGDWUCLWYLAJDX-LJQANCHMSA-N 412.490 1.927 0 50 HDAA COc1cccc(CNCCc2c(C)n[nH]c2C)c1OC[C@H](O)CN1CCOCC1 14953979 DAYQEBUPUJWIJS-LJQANCHMSA-N 418.538 1.439 0 50 HDAA CCCCN(C)C(=O)c1nc2ccccn2c1CN1CCN(CC(=O)N(C)C)CC1 20535406 BOQMIVGHHYTLCR-UHFFFAOYSA-N 414.554 1.412 0 50 HDAA Cn1c(-c2ccccc2)c/c(=N/NS(C)(=O)=O)c2cc(S(=O)(=O)O)ccc21 31761466 NCTIDJBXOKKDPP-SDXDJHTJSA-N 407.473 1.457 0 50 HDAA CCn1ccnc1CN(C)C(=O)[C@H]1CCCN(C2CCN(C(=O)C3CC3)CC2)C1 71759437 PGAOFVGHVHPTCL-SFHVURJKSA-N 401.555 1.974 0 50 HDAA Cn1c(CCC(=O)NCc2ccon2)nc2cc(S(=O)(=O)N3CCCC3)ccc21 77566322 MRJBHLUDZFCNOQ-UHFFFAOYSA-N 417.491 1.595 0 50 HDAA O=C(NCc1cccnc1)[C@H]1CCCN(C2CCN(C(=O)c3cnccn3)CC2)C1 82161524 ORYZLAQIRPPUGQ-SFHVURJKSA-N 408.506 1.505 0 50 HDAA Cc1c(NC(=O)CN2CCC3(CCC(=O)N(C[C@@H]4CCCO4)C3)CC2)cnn1C 95373595 CMLJZPGNAOPRIM-KRWDZBQOSA-N 403.527 1.551 0 50 HDAA CCN1CCC[C@@H]1CNC(=O)CC[C@H]1NC(=O)N(Cc2ccc(OC)cc2)C1=O 223217551 QRXZFZFPYQXLRG-SJLPKXTDSA-N 402.495 1.496 0 50 HDAA O=C1[C@H](N2CCN(c3ccc4nnc(C(F)F)n4n3)CC2)CCN1c1ccccc1 301702467 FBPKOOBMPMJJBF-OAHLLOKOSA-N 413.432 1.989 0 50 HDAA C[C@@H](OC[C@H]1CCCCO1)C(=O)N1CCc2nc(NS(C)(=O)=O)sc2C1 328592204 MIPJVWGRWNQLKN-VXGBXAGGSA-N 403.526 1.374 0 50 HDAA Cc1ccc(S(=O)(=O)NCCCNS(=O)(=O)Cc2ccccc2F)cc1 670462291 JGDHFDYVLSBEOC-UHFFFAOYSA-N 400.497 1.922 0 50 HDAA COc1ccc(S(N)(=O)=O)cc1C(=O)N1CCCC[C@H]1CCn1ccnc1C 1506411527 YXXGDJICRJPZIY-HNNXBMFYSA-N 406.508 1.933 0 50 HDAA COc1cc(CN2C[C@H]3CN(C(=O)Cc4[nH]cnc4C)C[C@@]3(CO)C2)ccc1F 1772804712 DCJMLRAOIAVFPP-HRAATJIYSA-N 402.470 1.361 0 50 HDAA COCCn1nnc([C@@H]2CN(Cc3cnc(-c4ccccc4OC)nc3)CCO2)n1 1857719856 VXXRLZBKFPLWJY-SFHVURJKSA-N 411.466 1.359 0 50 HDAA CC(C)[C@@H]1CO[C@@]23CCN(C(=O)CCS(=O)(=O)c4ccccc4)[C@@H]2CC(=O)N13 1857741547 XWALGPYISDVWGF-QKLQHJQFSA-N 406.504 1.435 0 50 HDAA CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)C1(c2ccc(Cl)cc2)CCC1 1875243980 HDGBJNLBDNDYCG-XJKSGUPXSA-N 400.928 1.784 0 50 HDAA Cc1nc(CC(=O)NCc2cnc3c(c2)CN(C(=O)[C@@H]2CCCO2)CC3)cs1 1875249889 IALIXCGSJWHTJM-SFHVURJKSA-N 400.504 1.769 0 50 HDAA Cc1cc(S(=O)(=O)N2CCN(C(=O)[C@H](C(C)C)n3cncn3)CC2)c(C)s1 1875256243 JKNIKURKDJBAEF-INIZCTEOSA-N 411.553 1.687 0 50 HDAA O=C1CSC[C@@H](C(=O)NC[C@@H](NC(=O)c2cc3ccsc3s2)C2CC2)N1 1875345843 KGJLJYGABGPHFP-NEPJUHHUSA-N 409.558 1.819 0 50 HDAA O=C(COc1ccsn1)N[C@H](CNC(=O)C1(O)CCSCC1)C1CCCC1 1875346792 BPZCYSOTHIUWGT-CQSZACIVSA-N 413.565 1.571 0 50 HDAA CO[C@@H](C(=O)NC1(CN(C)C(=O)c2cnn3ccn(C)c23)CC1)c1ccc(F)cc1 2325827486 HOIIVMBZVALMMF-QGZVFWFLSA-N 413.453 1.920 0 50 HDAA CC(=O)NCc1ccc(C(=O)N2CCC[C@H]2C(=O)NCc2ccc(CN)cc2)cc1 2325869442 NVTNDFANALZHFP-NRFANRHFSA-N 408.502 1.702 0 50 HDAA CN(C)c1ncc2c(n1)[C@@]1(CCCN(C(=O)c3nc(=N)[nH]c4c3CCCC4)C1)CC2 2356145724 SQKJPBVEQWTPET-QFIPXVFZSA-N 407.522 1.744 0 50 HDAA Cn1ccc(C(=O)NC[C@@H]2[C@@H](c3ccccc3)[C@]23CN(c2ccncc2)C[C@H]3O)n1 2356157440 LAGHHJBJZYKSDX-KTDPBYDISA-N 403.486 1.826 0 50 HDAA CN1CCN([C@H]2CN(c3noc(-c4ccc(Cl)cc4)c3C(=O)O)C[C@@H]2O)CC1 2356161808 KVGOXABAOCYVMJ-GJZGRUSLSA-N 406.870 1.490 0 50 HDAA O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1ccc2c(c1)OCO2 1056746 DRCRBBZDKKTYFZ-UHFFFAOYSA-N 420.443 1.454 0 50 HDAA Cn1ccnc1CN1CCN(C(=O)[C@H]2CCC(=O)N(CCCc3ccccc3)C2)CC1 12317617 KAALOFRBZNRQSZ-NRFANRHFSA-N 423.561 1.936 0 50 HDAA COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)N(C)Cc2nccs2)cc1OC 12709439 XLPYVUXJZYLVPC-OAHLLOKOSA-N 418.519 1.509 0 50 HDAA COc1ccccc1NC(=O)c1cn(CCNC(=O)c2ccc3c(c2)OCO3)nn1 15067621 ZWZPPZSEAVHDPS-UHFFFAOYSA-N 409.402 1.698 0 50 HDAA CCn1c(CN2CCN(c3cccc(Cl)c3)CC2)nc2c1c(=O)[nH]c(=O)n2C 55562703 SJZXUTSEYCHLMZ-UHFFFAOYSA-N 402.886 1.419 0 50 HDAA CCOC(=O)N1CCN([C@H]2CCCN(Cc3cnc(N4CCOCC4)s3)C2)CC1 91656984 LXUOHUBPNKWQKC-KRWDZBQOSA-N 423.583 1.718 0 50 HDAA O=C1CN(C(=O)[C@@H]2CCCN(C3CCOCC3)C2)CCN1Cc1ccccc1F 95352507 GHYFCZBOGUZGJL-GOSISDBHSA-N 403.498 1.888 0 50 HDAA Cc1ccn(CC(=O)N2CC[C@H](N3CCN(c4ccccc4F)CC3)[C@@H](O)C2)n1 206806332 LKXMLBKBRDSWNQ-PMACEKPBSA-N 401.486 1.115 0 50 HDAA O=C(CCCC[C@H]1SC[C@H]2NC(=O)N[C@H]21)NCc1ccc(-c2nncnn2)cc1 215868414 GBJXXSUDJUYIIH-BFYDXBDKSA-N 413.507 1.276 0 50 HDAA CC(=O)N1C[C@@H](C(=O)N2CCC(N3CCN(C(C)C)CC3)CC2)Oc2ccccc21 761038742 YNYZKSQQHYRXMO-QFIPXVFZSA-N 414.550 1.818 0 50 HDAA c1nnn(C23C[C@H]4C[C@@H](CC(NCc5cnc(NC[C@H]6CCCO6)nc5)(C4)C2)C3)n1 952960437 WXDSNLQJZQJDIT-BCYHEJSDSA-N 410.526 1.892 0 50 HDAA COCCN1CCC(C(=O)N2CCC[C@]3(CCc4cnc(N(C)C)nc43)C2)CC1 1704340163 WBZKHYWHKQKBFV-QFIPXVFZSA-N 401.555 1.707 0 50 HDAA COc1cccc2c1OCC(CN1CCCN(C(=O)CN3CCOC3=O)CC1)=C2 1800413266 FCKCORQSSRCLLR-UHFFFAOYSA-N 401.463 1.458 0 50 HDAA Cc1cc(C)nc(-n2[nH]c(=NC(=O)C(=O)N[C@@H](C)Cc3cccc(O)c3)cc2C)n1 2325720760 XYSLYZYSPPELMB-AWEZNQCLSA-N 408.462 1.401 0 50 HDAA CN(Cc1nc(C(F)(F)F)no1)C(=O)C(=O)N(C)Cc1nc(C(F)(F)F)no1 2325721277 OLOMBRDTMCKKAG-UHFFFAOYSA-N 416.238 1.107 0 50 HDAA CCn1cc(-c2nn(C)cc2C(=O)N[C@@H]2CN(C(=O)C[C@H]3CCOC3)C[C@@H]2F)cn1 2325873086 YTCKRAHLEQEPAL-XOKHGSTOSA-N 418.473 1.009 0 50 HDAA Cn1ccc(=NC(=O)CN2C[C@@H]3C[C@H](C2)[C@@H]2CCCC(=O)N2[C@H]3Cc2ccccc2)[nH]1 2356144562 DHXKSKVRBZNZHF-ANULTFPQSA-N 421.545 1.725 0 50 HDAA COc1ccc(CNC(=O)[C@@H]2CCC(=O)N(CCCN3CCCC3=O)C2)c(OC)c1 11933877 FDZJPKSIXCVHLX-QGZVFWFLSA-N 417.506 1.571 0 50 HDAA Cc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)N2CCN(C3CCCC3)C(=O)C2)cc1 12385399 FEVSAMZOHAIGFC-FQEVSTJZSA-N 412.534 1.299 0 50 HDAA COc1cccc(CC2=NO[C@@H](C(=O)NC[C@H](O)COc3cccc(OC)c3)C2)c1 14973911 WJQQPTLJINVQOT-LAUBAEHRSA-N 414.458 1.947 0 50 HDAA COc1ccc(S(=O)(=O)NC[C@@H]2CCCN(C(=O)Cc3cccnc3)C2)cc1 15068554 WXVOAOLJRHXYBS-KRWDZBQOSA-N 403.504 1.850 0 50 HDAA COCc1ccc(C(=O)NCc2nnc3n2CCN(Cc2cccc(C)n2)CC3)o1 19636327 HDCPSQCSSVQTIN-UHFFFAOYSA-N 410.478 1.709 0 50 HDAA CCN1CCN(C[C@@H](O)COc2ccc(CN3CCC(OC)CC3)cc2OC)CC1 23375033 GQAPINHTGNBYTO-HXUWFJFHSA-N 421.582 1.683 0 50 HDAA COc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)cc1 35889299 UZPFRNIRVSGNLD-UHFFFAOYSA-N 407.467 1.779 0 50 HDAA CN(C)[C@H]1CCN(Cc2ccc(C(=O)NCc3cnc4ccccc4c3)c(=O)[nH]2)C1 77504115 ODHVDLSOELVJIW-IBGZPJMESA-N 405.502 1.989 0 50 HDAA O=C(NC[C@H]1CN(CC2CCN(CC3CC3)CC2)C(=O)CO1)c1cc(C2CC2)n[nH]1 299784605 PRJLBZQCDFJSOU-SFHVURJKSA-N 415.538 1.366 0 50 HDAA Cn1c(CN2CCC([C@@]3(C)NC(=O)NC3=O)CC2)nnc1-c1ccc(Cl)cc1 473050177 OJCTXFJKYURQLA-LJQANCHMSA-N 402.886 1.946 0 50 HDAA COc1cc(CN2CC[C@@H](O)CC(C)(C)C2)ccc1OCC(=O)N1CCOCC1 824609089 HRUAKPAWPJZFQM-GOSISDBHSA-N 406.523 1.916 0 50 HDAA O=C(NC[C@H]1CCCN(C(=O)Cn2cnc3ccsc3c2=O)C1)c1ccco1 952989444 QLYMGKYVNVYDMR-CYBMUJFWSA-N 400.460 1.720 0 50 HDAA Cc1ccc(C)c([C@@H](C)NC(=O)CN2CCC(N3CCN(CCO)CC3)CC2)c1 1529180583 LGVMOSNLSZODHD-HXUWFJFHSA-N 402.583 1.555 0 50 HDAA O[C@@H]1CN(Cc2cnc(N3CCOCC3)nc2)C[C@H]1Cc1ccc2ccccc2n1 1529187549 VAEYRVFTDHRSFN-DENIHFKCSA-N 405.502 1.897 0 50 HDAA Cc1cc(CN2CCN(C)CC2)c(C)c(CN2C[C@@H]3CCOC[C@]3(C(=O)O)C2)c1 1857669831 FZKOMZKKHFBMCF-JTHBVZDNSA-N 401.551 1.974 0 50 HDAA Cn1ncc2c(O)nc(CN3CC[C@]4(C3)CN(CC3CCCCC3)CCO4)nc21 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OCCOCCN1CCN([C@]2(O)Nc3ccccc3Sc3ccccc32)CC1 43193699 URUVJKBCKGWOPF-OAQYLSRUSA-N 401.532 1.992 0 50 HDAA in-vitro Cc1ncc(C)c(N2CCC(N3CCC[C@H](C(=O)N4CCN(C)CC4)C3)CC2)n1 71576202 QWDFJESMQJFSDE-IBGZPJMESA-N 400.571 1.548 0 50 HDAA CN(C)c1cc(N2CCC(N3CCC[C@@H](C(=O)N4CCOCC4)C3)CC2)ncn1 71745788 VOEYWZUZNKMVCH-QGZVFWFLSA-N 402.543 1.082 0 50 HDAA CN1CCN(c2cc(N3CCN(C(=O)c4ccccc4Cl)CC3)ncn2)CC1 72115965 SRCOJLWFQWOYDS-UHFFFAOYSA-N 400.914 1.844 0 50 HDAA COc1ccc(NC(=O)Cn2c(=O)c(-c3noc(C)n3)c3n(c2=O)CCCC3)cc1 169763895 JZUAIJNMCFJIRV-UHFFFAOYSA-N 411.418 1.352 0 50 HDAA CCOc1cc(CN2CCC3(CC2)CCN(C)C3=O)nc2nc(C(F)(F)F)nn12 683675295 DXZVKAJNQVMBPR-UHFFFAOYSA-N 412.416 1.986 0 50 HDAA CC1(C)[C@H](NC(=O)CCN2CCN(c3ccccn3)CC2)C[C@H]1N1CCOCC1 1452709991 BTQHDEHPVZYVAJ-RTBURBONSA-N 401.555 1.209 0 50 HDAA Cc1ccc(NC(=O)CN2CCCN(C(=O)[C@H]3CCC(=O)N(C)C3)CC2)cc1F 1772709989 NLZFFCVUZMWQRO-INIZCTEOSA-N 404.486 1.475 0 50 HDAA Cc1nc2ccc(Cc3nc([C@H]4CCOC4)nn3-c3ccc4nncn4n3)cc2[nH]1 1857678636 ITHHTAFRRKDFFG-AWEZNQCLSA-N 401.434 1.984 0 50 HDAA O=C(c1ccc2c(c1)OCO2)N1CC[C@@]2(C1)CN(C(=O)C1CCOCC1)CCO2 1857686923 ICMQCQBTADTZOC-OAQYLSRUSA-N 402.447 1.285 0 50 HDAA COC(=O)[C@H]1C[C@H]2CN(C(=O)c3nnc4n3CCCC4)CC(=O)N2[C@H]1c1ccccc1 1857699934 DVHQRDDIPUHSIF-BXWFABGCSA-N 423.473 1.202 0 50 HDAA CCCn1cc(S(=O)(=O)NS(=O)(=O)c2c(C)cc(C)cc2OC)c(C)n1 1875335580 VMCQFKLMWLOPSR-UHFFFAOYSA-N 401.510 1.894 0 50 HDAA O=C1CC[C@H](N2Cc3ccc(-n4cc(CC[C@@H]5CCCO5)nn4)cc3C2=O)C(=O)N1 1875356055 SCZCVORSAJAZDR-WMZOPIPTSA-N 409.446 1.140 0 50 HDAA O=C(NCCCN1CCOCC1)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 14242167 UIYRUOXTUMZZQP-UHFFFAOYSA-N 415.943 1.577 0 50 HDAA COC(=O)C1CCN(C[C@H](O)COc2ccc(CNCCOC(C)C)cc2)CC1 15063460 OAEFHVIPJSNVMY-FQEVSTJZSA-N 408.539 1.826 0 50 HDAA O=C(C[C@@H]1COCCN1)N1CCC2(CCC(=O)N(CCc3cccnc3)C2)CC1 91665689 BRYZLVMXSKFERI-LJQANCHMSA-N 400.523 1.234 0 50 HDAA Cn1c(SCc2cc(=O)n3nc(C4CC4)sc3n2)nnc1[C@@H]1CCCNC1 426425437 NUYOUQPKRRVDLG-LLVKDONJSA-N 403.537 1.916 0 50 HDAA CCCCN1C(=O)CC[C@H](C(=O)N[C@@H]2CCC(=O)NC2=O)[C@@H]1c1ccccc1OC 435982927 NFBVWTYFKXXZAB-YRNRMSPPSA-N 415.490 1.696 0 50 HDAA CS(=O)(=O)NCc1ccc(C(=O)N2CCC([C@H]3C(=O)Nc4ccccc43)CC2)o1 440598257 VGHQNYHOINKAMS-GOSISDBHSA-N 417.487 1.917 0 50 HDAA CC[C@H](CNC(=O)[C@H]1CCCC12OCCO2)CNC(=O)[C@@H]1CCCC12OCCO2 2325725732 WZCGAEZJXHBZNC-OSYLJGHBSA-N 410.511 1.331 0 50 HDAA O=C(NC[C@H]1CCCO1)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl 2633367 NJFBGGMRPRWDLR-LLVKDONJSA-N 423.318 1.923 0 50 HDAA COc1ccccc1NC(=O)[C@H](CCS(C)(=O)=O)N1C(=O)c2ccccc2C1=O 2751357 URQOWYRXQNMXLF-INIZCTEOSA-N 416.455 1.733 0 50 HDAA Cc1nn2cc(CNCc3cccc(OC[C@H](O)CN4CCOCC4)c3)nc2s1 11934591 XAVXOBTXHFCARW-GOSISDBHSA-N 417.535 1.461 0 50 HDAA CC(C)N(C)Cc1nnnn1CC(=O)N1CCC(O)(c2ccc(Cl)cc2)CC1 12573134 XEIUYRGSOVDUFQ-UHFFFAOYSA-N 406.918 1.677 0 50 HDAA COc1cccc(CN2C[C@@H](C(=O)NCc3nc4ccccc4c(=O)[nH]3)CCC2=O)c1 14980129 UXUMKVAOCCRJLF-INIZCTEOSA-N 420.469 1.987 0 50 HDAA CCS(=O)(=O)c1ncc(CN2CCCN(C=O)CC2)n1CCc1ccccc1 19782334 WEXPJZNXEKLNEP-UHFFFAOYSA-N 404.536 1.584 0 50 HDAA COc1cccc([C@@H]2CCCCN2C(=O)CCn2nnnc2CN2CCOCC2)c1 20599511 SPKSANJEWPUVTK-IBGZPJMESA-N 414.510 1.658 0 50 HDAA CCOC(=O)[C@](C)(O)[C@]1(C(=O)OC(C)(C)C)OC(C)(C)O[C@H]1C(=O)OC(C)(C)C 43199051 YFDJFTNNEABDGO-OUWQEXSBSA-N 418.483 1.874 0 50 HDAA NC(=O)NCc1ccc(C(=O)N2CCN(CC(=O)Nc3ccccc3F)CC2)cc1 170674334 NNNSAVMTNITELA-UHFFFAOYSA-N 413.453 1.391 0 50 HDAA O=C(CC[C@@H]1N=C(O)N(c2ccccc2)C1=O)N1CCN(Cc2cccnc2)CC1 252492369 MKCKZLHJLDBGOW-IBGZPJMESA-N 407.474 1.835 0 50 HDAA C[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2CCOC3(CCOCC3)C2)C1=O 768384415 XGLUIKDOSRLIQT-LJQANCHMSA-N 405.426 1.001 0 50 HDAA CN(CCC(=O)Nc1cccc(NC(=O)c2cccnc2)c1)[C@@H]1CCS(=O)(=O)C1 952972985 MQIQJOMIUFTFLJ-GOSISDBHSA-N 416.503 1.781 0 50 HDAA CN(C)C(=O)CSc1nnc(NC(=O)[C@@H]2CC(=O)N(C)c3ccccc32)s1 1529120665 IGZNVIMZQGOZFD-LLVKDONJSA-N 405.505 1.807 0 50 HDAA CCc1ncc(C(=O)NC[C@H]2CN(CC3CCN(CC4CC4)CC3)C(=O)CO2)cn1 1857679010 QECCRDUHHNLROP-IBGZPJMESA-N 415.538 1.118 0 50 HDAA O=C(Nc1nnc(CCN2CCOCC2)s1)[C@@H]1CCCN(c2ccccn2)C1 1875246637 DIBLORPLBPLALY-OAHLLOKOSA-N 402.524 1.663 0 50 HDAA O=C(CCc1ccccc1C(=O)O)NCCOCCn1cc(-c2cncs2)nn1 1875326587 MSCFMEAAIVMGGJ-UHFFFAOYSA-N 415.475 1.865 0 50 HDAA COc1ccc(F)cc1C(=O)N[C@H]1CN(C(=O)C[C@@H]2CCNC2=O)CC(C)(C)C1 1875334837 HLLYUBWZHQUZFO-DZGCQCFKSA-N 405.470 1.717 0 50 HDAA O=C(NC[C@@H]1CC2(CCNCC2)C(=O)O1)c1cc(Cl)c(Br)cn1 2325854077 NIZZTOQWVUPUCU-VIFPVBQESA-N 402.676 1.913 0 50 HDAA COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CN(C)C(=O)OCc1ccccc1 4761192 DEWDNJPANGHPEA-SFHVURJKSA-N 400.431 1.861 0 50 HDAA O=C1CC[C@@H](C(=O)N2CCN(c3cnccn3)CC2)CN1CCc1cccc(F)c1 12475570 TXESULQSQHPRAK-GOSISDBHSA-N 411.481 1.746 0 50 HDAA CC(=O)Nc1ccc(N2C(=O)[C@@H]3[C@H](C)N[C@]4(C(=O)Nc5ccccc54)[C@@H]3C2=O)cc1 15306467 APSOXGPIXXHVNR-DLSXTHCTSA-N 404.426 1.590 0 50 HDAA Cc1c(CN(C)C(=O)[C@H]2[C@@H]3C=C[C@@]4(CN(Cc5cccnc5)C(=O)[C@@H]24)O3)cnn1C 77534899 PXYODKOBJMQCIQ-VWNVYAMZSA-N 407.474 1.064 0 50 HDAA C[C@]12CC[C@H]3[C@H](CC[C@]4(O)C[C@@H](O)CC[C@]34C(=O)O)[C@]1(O)CC[C@H]2C1=CC(=O)OC1 253498222 XJIILRFVONGQOG-GSOTUXLWSA-N 420.502 1.784 0 50 HDAA biogenic CCOC(=O)[C@H](C)NC(=O)c1ccc(NC(=O)C(=O)N2CCCC[C@@H]2CCO)cc1 429814525 MDPWYTVYVMRPSE-WMLDXEAASA-N 419.478 1.070 0 50 HDAA CN(CCCO)C1CCN(C(=O)N[C@@H]2CCN(c3c(F)cccc3F)C2=O)CC1 447122269 OTOUUHQUSWKOJQ-QGZVFWFLSA-N 410.465 1.558 0 50 HDAA O=C(CN1CCOC1=O)N1CCC[C@]2(CCc3c(O)nc(-c4cccnc4)nc32)C1 1857691405 JUGAFKFSRAILHU-NRFANRHFSA-N 409.446 1.503 0 50 HDAA CCc1n[nH]cc1C(=O)N1CCC[C@@]2(C(=O)NCc3ccon3)CCN(C)C[C@H]12 1857691971 JACNNJAJOCWQLB-FXAWDEMLSA-N 400.483 1.203 0 50 HDAA C[C@H](N)c1nc(-c2ccccc2)nn1CC(=O)NCc1cccnc1-n1cncn1 1857701903 XTCLARRGKXPFNC-AWEZNQCLSA-N 403.450 1.257 0 50 HDAA Cn1ccnc1CCNC(=O)[C@H]1CC(=O)N(c2nnc(Cc3ccccc3)s2)C1 1857714990 WEBDCQJRYJLZEN-HNNXBMFYSA-N 410.503 1.574 0 50 HDAA COC(=O)CN1CCN(C(=O)C2CCN(c3nc4nc(C)ccc4o3)CC2)CC1 1875247593 LXLVZQICMNGOJM-UHFFFAOYSA-N 401.467 1.065 0 50 HDAA CCN(CC)S(=O)(=O)c1ccc(=NC[C@H]2CCCN2c2cc(NC)ncn2)[nH]c1 1875260682 OEZHMUUTYJMOHQ-OAHLLOKOSA-N 419.555 1.447 0 50 HDAA CCSC[C@@H](C)c1cn(-c2ccc3c(c2)CN([C@H]2CCC(=O)NC2=O)C3=O)nn1 1875355423 KDVOZQXANDMICK-PXAZEXFGSA-N 413.503 1.885 0 50 HDAA Cc1cccc(CN2CCC[C@]3(CCN(C(=O)CCn4ccc(=O)[nH]c4=O)C3)C2)c1 12706973 IRVPJGOZWHNHIS-QHCPKHFHSA-N 410.518 1.750 0 50 HDAA O=C(N[C@H]1C[C@H]2C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N2C1)c1ccc(Cl)cc1 14747616 XJZZEHFZYSLAAT-SZMVWBNQSA-N 413.861 1.486 0 50 HDAA O=C1[C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@H]2C(=O)N1c1ccc2c(c1)OCO2 15021674 BIFWRLIMBVQLOC-LONFEIEESA-N 417.421 1.847 0 50 HDAA biogenic COCCNC(=O)c1cn([C@@H]2CCCN(C(=O)Cc3ccc(Cl)cc3)C2)nn1 15068142 XNOYWJWQWUSIFA-MRXNPFEDSA-N 405.886 1.714 0 50 HDAA COc1cc(CN2CCN(CC3CC3)CC2)ccc1OC[C@@H](O)CN1CCOCC1 23375489 JOVGEHZTQFGLRZ-NRFANRHFSA-N 419.566 1.295 0 50 HDAA COc1ccc(S(=O)(=O)N2CCN(CC(=O)N[C@@H](C)c3ccccc3)CC2)cc1 35889348 NOKYPQCCWPYXPL-KRWDZBQOSA-N 417.531 1.879 0 50 HDAA COc1ccc(CCNC(=O)Cn2nc(N3CCSCC3)ccc2=O)cc1OC 67640740 WGVMYDMTOJGGNR-UHFFFAOYSA-N 418.519 1.173 0 50 HDAA COc1cccc(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N(C)Cc3nc(C)no3)[C@H]4C2=O)c1 77355399 WPIVLBSQVNPFIX-FUOQNJDISA-N 424.457 1.327 0 50 HDAA CCOC(=O)c1cc(NC(=O)[C@@H]2[C@H]3C=C[C@@H](O3)[C@@H]2C(=O)O)cc(C(=O)OCC)c1 169363526 SKHFQSMLRAGBOO-FPCVCCKLSA-N 403.387 1.633 0 50 HDAA NC(=O)c1noc([C@H]2CCCN2S(=O)(=O)c2c(F)cccc2Br)n1 225658124 WRFRXVPTLUNUMA-SECBINFHSA-N 419.232 1.596 0 50 HDAA CN(C)c1nccnc1NC[C@H]1CN(CC2CCN(CC3CC3)CC2)C(=O)CO1 299756605 HXHORAZTGJPGJQ-SFHVURJKSA-N 402.543 1.304 0 50 HDAA COc1ccc2nc(CNC(=O)C3CCN([C@H]4CCS(=O)(=O)C4)CC3)[nH]c2c1 670438863 AGIYLPUUTXCMOZ-AWEZNQCLSA-N 406.508 1.087 0 50 HDAA O=C(Cn1nc(-c2ccc(F)cc2)ccc1=O)N1C[C@@H]2C[C@@H](C1)[C@H]1CCCC(=O)N1C2 888088330 LRZDTBYYSDAEOQ-RIFZZMRRSA-N 424.476 1.909 0 50 HDAA CC[C@H]1[C@@H](C(=O)NCc2ccc(F)cc2)C[C@H]2CN(C(=O)c3ccc[nH]3)CC(=O)N21 1857729136 KMNZFDDUFRIKEA-LNLFQRSKSA-N 412.465 1.922 0 50 HDAA Cc1nnc(CCNC(=O)c2cnc3sc(Cc4ccccc4)cn3c2=O)n1C 1875255769 CCLHIQKNCCMYMX-UHFFFAOYSA-N 408.487 1.756 0 50 HDAA COc1ccc(C(=O)CSc2nc(O)c3nc(CCC(=O)O)c(O)nc3n2)cc1 1875307254 LQSHKYAVZHJBLI-UHFFFAOYSA-N 416.415 1.832 0 50 HDAA CNc1cccc(-c2cn(-c3ccc4c(c3)CN([C@H]3CCC(=O)NC3=O)C4=O)nn2)c1 1875355769 PYYXGSVDPKFZTG-IBGZPJMESA-N 416.441 1.737 0 50 HDAA Cc1cn(CC(=O)N2CC[C@]3(C2)C(=O)N(CCC(C)C)c2ccccc23)c(=O)nc1O 2100544649 CPAHAZCFUJDAKU-HSZRJFAPSA-N 424.501 1.820 0 50 HDAA O=C1CC[C@@H](N2Cc3cc(NC(=O)N4Cc5ccncc5C4)ccc3C2=O)C(=O)N1 2325901591 MQZMKEYAOFWOFM-QGZVFWFLSA-N 405.414 1.390 0 50 HDAA Cc1ccc(N2CCC[C@]3(CCCN3C(=O)CN3C(=O)NC(C)(C)C3=O)C2=O)cc1 2356164972 NTYJWBKQGALDLM-QFIPXVFZSA-N 412.490 1.813 0 50 HDAA CCOC(=O)N1CCN(C(=S)Nc2cc(C(=O)OC)ccc2C(=O)OC)CC1 4741249 BFNOEXWZSUQMPU-UHFFFAOYSA-N 409.464 1.731 0 50 HDAA CCn1c(CNC(=O)c2ccccc2F)nnc1SCC(=O)N1CCOCC1 9426762 MICNFMWLBMXHET-UHFFFAOYSA-N 407.471 1.318 0 50 HDAA O=C1CN(C(=O)C2CCN(c3nc(-c4ccccc4)nc4c3CCC4)CC2)CCN1 11934311 AXCURFHREVLXDW-UHFFFAOYSA-N 405.502 1.807 0 50 HDAA O[C@@H](COc1cccc(CNCCCOc2cccnc2)c1)CN1CCOCC1 12432159 IKUBJFQVOGEVDV-HXUWFJFHSA-N 401.507 1.712 0 50 HDAA COc1cc(Cl)c(CN2CC(=O)N(Cc3cccnc3)C[C@H](O)C2)cc1OC 14740714 JGGZABDEUDLFCU-MRXNPFEDSA-N 405.882 1.958 0 50 HDAA CCS(=O)(=O)c1ncc(CN2CCN(C(C)=O)CC2)n1CCc1ccccc1 19740677 VLRMDAVOXNWPQN-UHFFFAOYSA-N 404.536 1.584 0 50 HDAA Cc1ccn(-c2ccc(N3CCN(C(=O)Cn4cnc5ccccc54)CC3)nn2)n1 72437496 CWVTURORGOLPJI-UHFFFAOYSA-N 402.462 1.669 0 50 HDAA Cc1cccnc1CN1CCN(C(=O)CC[C@]2(CCC(=O)O)CCC(=O)N2)CC1 218293168 QJYFAANVJVSXBL-NRFANRHFSA-N 402.495 1.328 0 50 HDAA O=C(NS(=O)(=O)c1c(Cl)nc2ccc(Br)cn12)C1CCOCC1 225731637 CUVYUIDZPHJUDS-UHFFFAOYSA-N 422.688 1.982 0 50 HDAA CCOC(=O)CN1C(=O)[C@@H]2[C@H](C1=O)[C@H]1C[C@@H]2[C@H]2[C@@H]1Sc1[nH]c(=O)sc1C2(C)C 245227526 IQJBRHZBQAQOMB-NIQXTHQDSA-N 422.528 1.619 0 50 HDAA COc1ccc([C@H]2Cn3nnc(C(=O)N4CCN(c5ncccn5)CC4)c3CO2)cc1 263619331 YEKSUDFQAWNZCE-GOSISDBHSA-N 421.461 1.311 0 50 HDAA Cc1nccc(NC(=O)c2cccc(S(=O)(=O)N3C[C@@H]4C[C@H]5C[C@H]4[C@@H]3[C@H]5O)c2)n1 408525120 LNQKBJZPDWFFKK-LBCSOOOPSA-N 414.487 1.427 0 50 HDAA CC(C)C[C@H](NS(=O)(=O)c1ccc2c(c1)c(=O)n(C)c(=O)n2C)c1cccnc1 670459470 GZGSRGHOVHDKNV-KRWDZBQOSA-N 416.503 1.698 0 50 HDAA Cc1nnc(SCCNC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)s1 827825761 LSLHDEHNVNNHHM-UHFFFAOYSA-N 404.514 1.660 0 50 HDAA CN(Cc1cscn1)C(=O)Cn1nnnc1[C@H](c1ccccc1)N1CCOCC1 827887349 BSLBKOMTVGKOAE-SFHVURJKSA-N 413.507 1.210 0 50 HDAA Cc1ccc(NC(C)(C)C(=O)N[C@H]2C[C@H]3CO[C@@H](CC(=O)N(C)C)CN3C2)cc1 1857723456 GQVMXPGCFXKOBU-FHWLQOOXSA-N 402.539 1.622 0 50 HDAA C[C@H](C(=O)N1CCC2(CCc3c(O)nc(N4CCOCC4)nc32)CC1)N1CCCC1 1857737550 RWLHXCBJDPBWLA-MRXNPFEDSA-N 415.538 1.310 0 50 HDAA CCc1onc(C)c1C(=O)NC[C@H]1[C@@H]2CN(C(=O)[C@@H]3CCC[C@H](C(N)=O)C3)C[C@H]12 2325823578 XZERENSYSZCJNN-XFIYOXNOSA-N 402.495 1.271 0 50 HDAA C[C@@]1(c2cccc(C(=O)N3C[C@@H](Cc4ccccc4)[C@H](C(=O)O)C3)c2)NC(=O)NC1=O 2325851890 LWUGFPDIPCSFJI-UQNRQAKVSA-N 421.453 1.757 0 50 HDAA CC(C)(C)c1cc(=NCc2ccc3c(c2)C(=O)N([C@H]2CCC(=O)NC2=O)C3)[nH]cn1 2325898057 QTVVWLFPDZVWDL-INIZCTEOSA-N 407.474 1.569 0 50 HDAA O=C(COc1ccc(S(=O)(=O)NCCc2ccccc2)cc1)NC[C@@H]1CCCO1 4978180 GSNLZPRFXYLVSW-IBGZPJMESA-N 418.515 1.882 0 50 HDAA C[C@@H](NS(=O)(=O)c1ccccc1)C(=O)N1CCC[C@H](c2nnc3ccccn23)C1 12408531 BBTZLMCMRZMSAZ-CVEARBPZSA-N 413.503 1.802 0 50 HDAA Cc1cc(C)c(C(=O)N2CCc3c(cnc(C)c3CNS(=O)(=O)N(C)C)C2)[nH]1 14884991 MQQLDVSWRDSATM-UHFFFAOYSA-N 405.524 1.429 0 50 HDAA CN(CCN1CCOCC1)C(=O)C[C@H]1C(=O)NCCN1Cc1cccc2ccccc12 14973701 AWTVLQDLYWZENK-QFIPXVFZSA-N 424.545 1.321 0 50 HDAA CCN1CCC[C@@H]1CNC(=O)CCC1CCN(C(=O)CCc2cnn(C)c2)CC1 15071515 WGLNRINFKSSCDE-HXUWFJFHSA-N 403.571 1.972 0 50 HDAA Cn1c(CCNC(=O)/C=C/c2cccs2)nnc1SCCN1CCOCC1 15072293 UWPHZGORWVOVAF-SNAWJCMRSA-N 407.565 1.673 0 50 HDAA COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NC2Cc3ccccc3C2)c(F)c1 20995096 NZUJCALFLRBTMO-OAQYLSRUSA-N 411.477 1.808 0 50 HDAA Cc1ccc(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N3CCc5n[nH]cc5C3)[C@@H]4C2=O)cc1C 77287919 NIPZFPYXSJPIKT-JCUDRXCFSA-N 418.497 1.893 0 50 HDAA Cc1cc(CNS(=O)(=O)c2ccc3c(c2)CCN(C(=O)[C@H](O)C(C)C)C3)no1 77342464 DQKDHBLDNJVISB-GOSISDBHSA-N 407.492 1.363 0 50 HDAA COc1ccc(C(=O)N[C@@H](C)c2nncn2C)cc1OC1CCN(C(C)=O)CC1 95497340 ZFGPMEZZVAUPLG-ZDUSSCGKSA-N 401.467 1.704 0 50 HDAA CCN1CCN(C[C@H](O)COc2cccc(CN(C)Cc3nc(C)no3)c2)CC1 95528161 AZWBCLSVCLMKQI-IBGZPJMESA-N 403.527 1.387 0 50 HDAA C[C@@H](C(=O)Nc1ccc(CN2CCC[C@@H](C(N)=O)C2)cc1)n1nnnc1C(C)(C)C 222182032 PHBJJIZLVQYXDD-GOEBONIOSA-N 413.526 1.868 0 50 HDAA Cc1ccc(-n2nc(C)cc2NS(=O)(=O)c2c(Br)cnn2C)nn1 225666055 RRSBXKRTMQPKGF-UHFFFAOYSA-N 412.273 1.576 0 50 HDAA O=C(Cn1ncc2ccccc2c1=O)NC12C[C@@H]3C[C@H](C1)CC(n1ncnn1)(C3)C2 670467852 LWWVMZKDJQEWPZ-XFKLWTPLSA-N 405.462 1.247 0 50 HDAA O=C(C[C@H]1NC(=O)c2ccccc21)Nc1ccc(OCC(=O)N2CCOCC2)cc1 827810819 BKSDVDOVLCAKRW-LJQANCHMSA-N 409.442 1.738 0 50 HDAA COc1ccc([C@@]2(C(=O)N3CCC(N4CCN(CCO)CC4)CC3)CC2(C)C)cc1 952977020 ONORDAUPAXYPRP-XMMPIXPASA-N 415.578 1.964 0 50 HDAA CC(C)[C@H](NC(=O)N1CCO[C@]2(CCS(=O)(=O)C2)C1)c1nc2ccccc2[nH]1 1477750414 TUEQNBYKFKCLMF-QFBILLFUSA-N 406.508 1.859 0 50 HDAA COc1ccc([C@@H]2[C@@H](CO)OCCN2C(=O)c2cnc(N(C)C)nc2C)cc1OC 1529101690 LUFHICVNOQSVLK-RTBURBONSA-N 416.478 1.443 0 50 HDAA CSCC(=O)N1C[C@@H]2CN(C(=O)CCn3nc(C)cc3C)C[C@@]2(CN(C)C)C1 1772711670 CKHKMIXHXVPGTC-PXNSSMCTSA-N 407.584 1.102 0 50 HDAA COc1ccccc1CN1C[C@H](C(=O)N2CCOC3(CCN(C)CC3)C2)CC1=O 1772816994 ZXPJWTGPZCIGDY-GOSISDBHSA-N 401.507 1.367 0 50 HDAA CCCS(=O)(=O)NC[C@@H]1CCC[C@H](NC(=O)COc2ccccc2C(N)=O)C1 1857680630 QXSOUBGFBIWXBK-CABCVRRESA-N 411.524 1.169 0 50 HDAA Cc1nc2c(c(=NCc3ccon3)[nH]1)CC[C@]21CCCN(C(=O)c2cnccn2)C1 1875245300 UBAXYEVJAOPBPX-NRFANRHFSA-N 405.462 1.717 0 50 HDAA O=C(Nc1cc(F)cc(NC(=O)[C@H]2CCc3nncn3C2)c1)[C@H]1CCc2nncn2C1 2325722312 HWBVVBLVDXAQFP-STQMWFEESA-N 424.440 1.411 0 50 HDAA C=CC(=O)Nc1cccc(C(=O)N2CCc3nc(NS(C)(=O)=O)sc3C2)c1 2325888889 DXNWEAVVZUGTBB-UHFFFAOYSA-N 406.489 1.838 0 50 HDAA C[C@H](NS(=O)(=O)c1ccccc1)C(=O)N1CCC[C@@H](c2nnc3ccccn23)C1 12408530 BBTZLMCMRZMSAZ-JKSUJKDBSA-N 413.503 1.802 0 50 HDAA COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)N(C)Cc2ccon2)cc1OC 13594434 NSGSCGILGBYTNL-INIZCTEOSA-N 402.451 1.041 0 50 HDAA O=C(Nc1cccc(F)c1)N[C@H]1C[C@H]2C(=O)N[C@H](Cc3ccc(O)cc3)C(=O)N2C1 14742292 WJFPOKNBMHMIOC-JQHSSLGASA-N 412.421 1.363 0 50 HDAA Cc1ccc(C)c(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N(C)Cc3nccn3C)[C@@H]4C2=O)c1 77378337 ZJTXYMOGGYZZGP-WTMJVXIESA-N 420.513 1.978 0 50 HDAA Cc1nn(-c2ccccc2)c(C)c1CC(=O)N1C[C@H](CO)[C@H](CN(C)CCO)C1 92019380 MFWGEBAFKRDTJX-RTBURBONSA-N 400.523 1.023 0 50 HDAA COC(=O)CC1CCN(C(=O)C[C@H]2NC(=O)N(Cc3ccc(OC)cc3)C2=O)CC1 223232465 QWWANEYCXHTOGU-QGZVFWFLSA-N 417.462 1.307 0 50 HDAA COC(=O)c1ccccc1NC(=O)[C@@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@H]21 238882170 CPGSEYHVBKEJHT-KQVLKZGSSA-N 407.419 1.808 0 50 HDAA COc1ccc(CCNC(=O)C[C@H]2NC(=O)N(Cc3ccco3)C2=O)cc1OC 409413446 LYUYDZYBVGRERH-OAHLLOKOSA-N 401.419 1.466 0 50 HDAA Cc1noc(C)c1CN1CCc2c(C(=O)NC[C@@H]3CN(C)CCO3)csc2C1 426436540 JETYLNJEGVWMLX-OAHLLOKOSA-N 404.536 1.972 0 50 HDAA Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3nc[nH]n3)CC2)c(Br)c1 469145379 YBUNXHCYZBPDKI-UHFFFAOYSA-N 414.285 1.022 0 50 HDAA C=CC(=O)N1CCC(C(=O)N2CCN3C(=O)N(CC)C(=O)[C@H]3C2)(c2ccccc2)CC1 1445401709 YSWXURPRVQHXDM-GOSISDBHSA-N 424.501 1.228 0 50 HDAA COc1ccc2cc1OCCn1cc(nn1)CCCC(=O)N1CCC[C@@H](C1)NC2=O 1704323753 YGENCLUDTFTWDI-INIZCTEOSA-N 413.478 1.423 0 50 HDAA Cc1nc(CN2CCC3(CC2)OCC[C@@](C)(NC(=O)C2CCC2)[C@@H]3O)n(C)c1C 1772705614 KESFWVQBTXKLCR-LEWJYISDSA-N 404.555 1.828 0 50 HDAA CC(C)CCN1C[C@H]2CN(S(=O)(=O)C3CCOCC3)C[C@@]2(CCC(=O)O)C1 1772806946 MHVBKQXFBCVFAP-QFBILLFUSA-N 402.557 1.640 0 50 HDAA CCCO[C@H]1C[C@@H](C(=O)N2C[C@H]3COC[C@H]3C2)CC[C@@H]1NS(=O)(=O)C(C)C 1857688093 UCCFYGHWTWSQKG-JCECYMMASA-N 402.557 1.383 0 50 HDAA C=CC(=O)N1CCC[C@@H](C(=O)NCc2cnn3c2CN(C(=O)OC(C)(C)C)CC3)C1 1875371856 NOKHKLDKZYHMHD-OAHLLOKOSA-N 417.510 1.675 0 50 HDAA COC(=O)[C@H](Cc1cnn(C)c1C)NC(=O)C[C@@H]1C(=O)Nc2ccc(Cl)cc21 2325851372 YDMAYMMDZLCWOV-HOCLYGCPSA-N 404.854 1.708 0 50 HDAA CNC(=O)c1cc(NC(=O)C(=O)N[C@H]2c3ccccc3C[C@@H]2C)cc(C(=O)NC)c1 2325872989 UQTGUOFGALVPRD-KPZWWZAWSA-N 408.458 1.394 0 50 HDAA O=C(NCc1[nH]nc2ncccc12)[C@H]1C[C@H]2CCCN2[C@]12C(=O)Nc1ccccc12 2356159754 PCFSYLNNIRQLQG-XNVILDLWSA-N 402.458 1.906 0 50 HDAA N=c1nc2c(c[nH]1)CC[C@]21CCCN(C(=O)CCc2nc(-c3ccncc3)no2)C1 2356162324 HPNJDWPRJCIJCI-NRFANRHFSA-N 405.462 1.773 0 50 HDAA CCOc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)N(C)CC2CCOCC2)cc1 12459601 WIZMDCQMBSVJMT-FQEVSTJZSA-N 403.523 1.661 0 50 HDAA COC(=O)[C@@H]1CCCCN1C(=O)c1c(OC)cc(=O)n2c1CCN(CC(C)C)CC2 15003155 CJZOOYHTEHGWIE-KRWDZBQOSA-N 419.522 1.539 0 50 HDAA COc1ccccc1NC(=O)CN1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 35452986 OVYOQXWWRDOPSI-UHFFFAOYSA-N 407.467 1.779 0 50 HDAA Cc1occc1C(=O)N1CCC(N2CCC[C@@H](C(=O)N3CCN(C)CC3)C2)CC1 71768071 ZTXXNTJXBUYHIX-GOSISDBHSA-N 402.539 1.679 0 50 HDAA COc1cccc(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N(C)Cc3nccn3C)[C@@H]4C2=O)c1 77517345 IAHSSTVMTNWBKT-YPIYEQTHSA-N 422.485 1.369 0 50 HDAA O=C(NCc1ccncc1)[C@H]1[C@@H]2C(=O)N(c3ccc4c(c3)OCO4)C[C@@]23C=C[C@H]1O3 136154940 BNABLMYXUHGLDW-KIQACKJLSA-N 405.410 1.413 0 50 HDAA biogenic C[C@H]1CN(C(=O)CN(CC(=O)N2C[C@@H](C)OC[C@@H]2C)Cc2cccnc2)[C@@H](C)CO1 241326139 LZNMGBAEWSRIJA-CADBVGFASA-N 418.538 1.155 0 50 HDAA COC(=O)c1ccc(O)cc1NS(=O)(=O)c1ccc(F)c(S(C)(=O)=O)c1 253424219 BXTXZFXQDGAAOC-UHFFFAOYSA-N 403.409 1.522 0 50 HDAA O=C(CN1CC[C@]2(CCCN(Cc3cccc(F)c3F)C2=O)C1)N1CCOCC1 426555464 INMBDLPIHWSTGH-OAQYLSRUSA-N 407.461 1.638 0 50 HDAA CC(C)n1cnnc1[C@@H](C)NS(=O)(=O)c1ccc(NS(=O)(=O)N(C)C)cc1 670448948 VIVALOPFQYIGCO-GFCCVEGCSA-N 416.529 1.117 0 50 HDAA CON(C)C(=O)c1ccc(NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2F)cc1 731437683 JOKVUSSPBSLAEG-UHFFFAOYSA-N 409.439 1.962 0 50 HDAA COC[C@@H]1CN(c2ncnc3c2ncn3C[C@H](CO)[C@@H]2CCOC2)CC(C)(C)O1 824372052 DCFKJLMYGGQYJG-OAGGEKHMSA-N 405.499 1.102 0 50 HDAA Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1NC(=O)c1cccc(S(C)(=O)=O)c1 1506420537 HVEADDLVRDYFAX-CQSZACIVSA-N 411.505 1.515 0 50 HDAA COCCN1CC[C@@H](C(=O)N2CCCN(C(=O)c3ccc(N(C)C)cc3)CC2)C1 1704304089 KNIPNQPRZYDBMD-LJQANCHMSA-N 402.539 1.395 0 50 HDAA Cn1cncc1C(=O)N[C@]1(C)CCOC2(CCN(C(=O)c3ccsc3)CC2)[C@H]1O 1704329598 WXCNPSGMRANFIA-RBUKOAKNSA-N 418.519 1.426 0 50 HDAA CCCCS(=O)(=O)N1C[C@@H]2COC[C@]2(C(=O)N(C)Cc2nc(C(C)C)no2)C1 1857705381 FLUYIDQOWNKHCW-RDTXWAMCSA-N 414.528 1.230 0 50 HDAA CNC(=O)Cn1cc(-n2ccnc2-c2ccc(OCCCN3CCOCC3)cc2)cn1 1857707709 YVHRXDVSOPIDMQ-UHFFFAOYSA-N 424.505 1.583 0 50 HDAA Cc1nc(O)cc(C2CCN(C(=O)[C@@H]3CC(=O)N(c4nnc(C)s4)C3)CC2)n1 1857721961 AEUVEYRCWBHHKY-CYBMUJFWSA-N 402.480 1.410 0 50 HDAA C[C@H](C(=O)N1CCc2nc(C(N)=O)cn2CC1)N1C(=O)c2cccc3cccc1c23 1875243716 UKVUTSDSBFCSNC-CYBMUJFWSA-N 403.442 1.569 0 50 HDAA Cc1cc(O)ncc1C(=O)N1CC[C@@]2(CCN(C(=O)C(C)(C)Cc3cnn[nH]3)C2)C1 1875360254 CUMBYOPZEDMMMS-OAQYLSRUSA-N 412.494 1.547 0 50 HDAA CN(C)C(=O)COc1ccccc1C(F)(F)C(=O)NCCSc1nccn1C 2325728267 OUNPLUTWVRAHTC-UHFFFAOYSA-N 412.462 1.887 0 50 HDAA NC(=O)CNC(=O)c1n[nH]cc1NC(=O)c1ccc(Br)c(Cl)c1F 2325840876 VKKJHPSRKRUFQH-UHFFFAOYSA-N 418.610 1.432 0 50 HDAA COC(=O)CNC(=O)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(F)cc1 2812218 JRMGWQYTTCTBII-QGZVFWFLSA-N 406.435 1.231 0 50 HDAA COCCN1C(=O)C[C@](CC(=O)N2CCC[C@@H](OC)C2)(c2ccccc2OC)C1=O 11971094 POSOAJKILKXAEI-OPAMFIHVSA-N 418.490 1.366 0 50 HDAA COc1cccc(CN2C[C@H](C(=O)N3CCCN(c4ncccn4)CC3)CCC2=O)c1 12297585 LARKDMSHXRDDHX-LJQANCHMSA-N 423.517 1.963 0 50 HDAA O=C(NCC(=O)N1CCN(c2cccc(Cl)c2)CC1)[C@H]1COc2ccccc2O1 12324426 PDHRBELJKIEBNE-LJQANCHMSA-N 415.877 1.945 0 50 HDAA COc1cc(CN(C)Cc2cnn(C)c2)ccc1OC[C@@H](O)CN1CCSCC1 12582767 POISODKGWGPARE-IBGZPJMESA-N 420.579 1.849 0 50 HDAA O=C1CC[C@H](C(=O)N2CCc3c([nH]c4ccccc34)C2)CN1CCN1CCOCC1 23337308 HCRLNXFHUZZKLW-KRWDZBQOSA-N 410.518 1.623 0 50 HDAA Cc1ccccc1CN1CCNC(=O)[C@H]1CC(=O)Nc1c(C)nn(CC(=O)O)c1C 55108214 MJAGEWGKCSSCLC-QGZVFWFLSA-N 413.478 1.222 0 50 HDAA CC(C)(CO)CNC(=O)C[C@@H]1C(=O)NCCN1Cc1ccccc1C(F)(F)F 55211809 SXNTZDNQRQSGMH-OAHLLOKOSA-N 401.429 1.531 0 50 HDAA COc1ccccc1/C=C/CN1CCNC(=O)[C@H]1CC(=O)NCCCn1cccn1 55357952 CIBYGNSICNZTIZ-RRGNZLCHSA-N 411.506 1.302 0 50 HDAA Cc1cnc(N2CCC(N3CCC[C@H](C(=O)NCc4cccnc4)C3)CC2)nc1N 71385647 NFZFFGGYQIAQKI-SFHVURJKSA-N 409.538 1.759 0 50 HDAA COc1cccc(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N(C)Cc3noc(C)n3)[C@H]4C2=O)c1 77320876 IWIZCLWANGMWEL-FUOQNJDISA-N 424.457 1.327 0 50 HDAA O=C(NCc1ccccn1)[C@H]1CCCN(C2CCN(CCN3CCCC3=O)CC2)C1 82121853 JJEOXYHNRPTMBK-IBGZPJMESA-N 413.566 1.497 0 50 HDAA O=C(O)CCC(=O)Nc1ccc2[nH]cc([C@H](C(=O)O)N3CCC[C@@H](C(=O)O)C3)c2c1 227177116 BDYRHOSXXUCBQZ-ADLMAVQZSA-N 417.418 1.894 0 50 HDAA COCCn1cc([C@H]2[C@H](C(=O)NCCCC(=O)OC)CC(=O)N2C(C)(C)C)cn1 252484503 FXTGLKTZZYJZBY-QAPCUYQASA-N 408.499 1.287 0 50 HDAA Cn1cccc1C(=O)N1CCN(C(=O)c2nnn3c2CO[C@H](c2ccccc2)C3)CC1 263619425 YPRKHEJEOZGOJF-IBGZPJMESA-N 420.473 1.486 0 50 HDAA COCC(=O)N1CCN(c2cccc3c2C(=O)N(Cc2cccc(F)c2)C3=O)CC1 299770745 MIIVTXBYWZCXAW-UHFFFAOYSA-N 411.433 1.917 0 50 HDAA Cc1nc(C(=O)NC[C@@H]2CN(CC3CCN(CC4CC4)CC3)C(=O)CO2)cs1 299781937 LYCXRYYSCCIIEX-QGZVFWFLSA-N 406.552 1.531 0 50 HDAA Cc1[nH]c2ccc(Cl)cc2c1CCNC(=O)c1cc2n(n1)C[C@H](O)CNC2=O 426401610 CMZLDRQNPHGRSL-GFCCVEGCSA-N 401.854 1.403 0 50 HDAA O=C(N[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1)[C@@H]1CCCO1 481571943 OYXVUCCGRLYLKP-ZFWWWQNUSA-N 417.325 1.897 0 50 HDAA O=C(c1cnc2c(c1)CCCC2)N1CCCN(S(=O)(=O)N2CCCCC2)CC1 952974431 IRYJWKMQZMLLPD-UHFFFAOYSA-N 406.552 1.839 0 50 HDAA CN([C@@H]1CCN(Cc2ccccc2)C1=O)S(=O)(=O)c1ccc2nc(O)oc2c1 1211769509 WBCCTMYWAFTIFD-MRXNPFEDSA-N 401.444 1.955 0 50 HDAA CO[C@@H]1CC[C@H](C(=O)N2CCCN(C)CC2)C[C@H]1NC(=O)c1cccc(O)c1C 1857681944 FEFXTVMECIORTJ-ILZDJORESA-N 403.523 1.778 0 50 HDAA Cc1nc([C@@H](N)C(C)C)n(CC(=O)NCCN2N=C(c3ccccc3)CCC2=O)n1 1857689743 KIYXGPBJXUCOEY-FQEVSTJZSA-N 411.510 1.385 0 50 HDAA CN(C)c1ccc(CCNC(=O)[C@@]23CC[C@H](N4CCOCC4)C[C@H]2CCNC3)cc1 1857695194 ZDDOMYDKKNXTAG-JCTONOIOSA-N 414.594 1.892 0 50 HDAA Cc1cnc(C(=O)N2CCC3(CC2)CN(Cc2nccs2)C(=O)CCO3)cn1 1857720508 XEZWRBPONDIELZ-UHFFFAOYSA-N 401.492 1.665 0 50 HDAA O=C(NC[C@H]1CCCCN1)c1sccc1S(=O)(=O)N1CCc2ncccc2C1 1875305230 NHENZCBCWHTWGB-OAHLLOKOSA-N 420.560 1.762 0 50 HDAA CN1CCN(C(=O)NCCNC(=O)c2n[nH]c3ccccc23)[C@@H](c2ccccc2)C1 2325703434 DFMCQEGAUSMEBO-LJQANCHMSA-N 406.490 1.991 0 50 HDAA COc1ccc(OC[C@@H](O)CN2CCC(O)CC2)c(CN(C)CC2CCOCC2)c1 12386899 WNMGAKKXUYICDC-NRFANRHFSA-N 422.566 1.750 0 50 HDAA COCC(=O)N1CCC(Oc2ccccc2C(=O)N(C)Cc2nonc2C)CC1 12764378 RWDNUMAFSAXWDC-UHFFFAOYSA-N 402.451 1.666 0 50 HDAA CCN(CCO)C(=O)c1sc2ncnc(NCCCN3CCOCC3)c2c1C 15004745 DORDHDZTRCLSPT-UHFFFAOYSA-N 407.540 1.588 0 50 HDAA CCN(Cc1cnn(C)c1)Cc1cccc(OC)c1OC[C@H](O)CN1CCOCC1 20451347 UQNJUOUTQYWCBF-HXUWFJFHSA-N 418.538 1.523 0 50 HDAA COc1ccc(CN(C)Cc2nccs2)cc1OC[C@@H](O)CN1CCN(C)CC1 20452163 AMACLFIJKFDWJZ-SFHVURJKSA-N 420.579 1.771 0 50 HDAA CCOc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(C)CC3)CC2)cc1C 20654033 ZZDVULPNCFYSIA-UHFFFAOYSA-N 409.552 1.568 0 50 HDAA CC(C)(CO)CNC(=O)C[C@H]1C(=O)NCCN1Cc1ccccc1C(F)(F)F 55211810 SXNTZDNQRQSGMH-HNNXBMFYSA-N 401.429 1.531 0 50 HDAA O=C([C@@H]1[C@@H]2C=C[C@@]3(CN(c4ccc(CCO)cc4)C(=O)[C@H]13)O2)N1CCSCC1 77539924 MRROVYUUZDJFCT-NYUBLWNDSA-N 400.500 1.083 0 50 HDAA O[C@H](COc1cccc(CN2CCC(c3ncon3)CC2)c1)CN1CCOCC1 95517007 HOGKCDDZEDEESY-IBGZPJMESA-N 402.495 1.521 0 50 HDAA CCOC(=O)[C@H](Cc1ccncc1)NC(=O)c1nc(S(C)(=O)=O)n2ccccc12 170608954 BLRLHFGANHDIPS-AWEZNQCLSA-N 416.459 1.037 0 50 HDAA O=C(NCCc1c[nH]cn1)[C@H]1CC[C@H](CNS(=O)(=O)c2ccc(F)cc2)CC1 245257377 YXCMWNYFKIHXJT-SHTZXODSSA-N 408.499 1.992 0 50 HDAA COc1ccc(-c2cc(F)cc3c2O[C@@H](CNC(=O)CCC(=O)N(C)C)C3)nn1 299759725 MTGSWKOZWCERFG-CQSZACIVSA-N 402.426 1.579 0 50 HDAA NC(=O)c1coc(CNC(=O)N2CCNC(=O)[C@H]2c2ccc(C(F)(F)F)cc2)c1 430212350 MHMWEMTYPBACAV-CQSZACIVSA-N 410.352 1.780 0 50 HDAA OCCOc1ccccc1CN1CC[C@H](N2CCN(c3ccccn3)CC2)[C@@H](O)C1 1616101832 DHSMMFJNKUYUIZ-SFTDATJTSA-N 412.534 1.210 0 50 HDAA CSc1ccccc1C(=O)N1C[C@H]2CN(C(=O)c3cccc(N)n3)C[C@@]2(CO)C1 1772703253 ZYAMIXNGPUGWLB-LHSJRXKWSA-N 412.515 1.592 0 50 HDAA CC[C@@H](Cc1cn([C@@H]2CN(C(=O)Cc3cccc(C(N)=O)c3)C[C@@H]2C)nn1)C(=O)O 1875357054 ZDXKNZCVMFNYNQ-DHSIGJKJSA-N 413.478 1.292 0 50 HDAA Cc1cc2[nH]cc(C(=O)N3CCC4(CCc5c(O)nc(C6CC6)nc54)CC3)c(=O)n2n1 1940196621 WETNWXUWMLMNKF-UHFFFAOYSA-N 420.473 1.824 0 50 HDAA Cc1nn(-c2ccccc2)[nH]c1=NC(=O)NCCS(=O)(=O)NC1CCCCC1 2325851903 MEMCEYPGQGMLKP-UHFFFAOYSA-N 406.512 1.371 0 50 HDAA CCOC(=O)C1CCN(C(=O)CN(Cc2ccc(Cl)cc2)S(C)(=O)=O)CC1 4196062 CEVCMJIVJHMXNP-UHFFFAOYSA-N 416.927 1.903 0 50 HDAA O=C(O)Cn1ncc(N2CCN(C(=O)OCc3ccccc3)CC2)c(Cl)c1=O 12336690 QELQPUOINUEWPT-UHFFFAOYSA-N 406.826 1.440 0 50 HDAA CCN(CCn1cccn1)Cc1ccc(OC[C@H](O)CN2CCOCC2)c(OC)c1 12717710 ZZOXACJBEXDMGY-HXUWFJFHSA-N 418.538 1.486 0 50 HDAA CN1CCN(C(=O)C[C@@H]2C(=O)NCCN2Cc2ccc(-c3ccccc3)cc2)CC1 13636585 RTPSMZLHPXVCDI-JOCHJYFZSA-N 406.530 1.818 0 50 HDAA CN(C)S(=O)(=O)N1CCC(C(=O)N2CCN(c3cccc(Cl)c3)CC2)CC1 13681936 WYEXVEJHCGDMLV-UHFFFAOYSA-N 414.959 1.507 0 50 HDAA Cc1c(C(=O)NCCN2CCOCC2)cnn1-c1nccc(-c2ccccc2F)n1 20453452 DOHBQMXGMVLKTC-UHFFFAOYSA-N 410.453 1.839 0 50 HDAA CC(C)CCN1CCNC(=O)[C@H]1CC(=O)N1CCN(Cc2cccc(F)c2)CC1 20453664 WMUWDLUJKJEZII-HXUWFJFHSA-N 404.530 1.707 0 50 HDAA CCCOc1ccc(N2C(=O)C[C@H](NCCCN3CCN(CC)CC3)C2=O)cc1 23358740 BFXDZCXFQCKRLC-FQEVSTJZSA-N 402.539 1.725 0 50 HDAA Cc1nc(N(C)C)cc(N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)n1 33318379 UCGLYOFMSRYCAZ-UHFFFAOYSA-N 419.507 1.133 0 50 HDAA COCCN1CCN(C(=O)c2ccc(OC3CCN(C(=O)C4CC4)CC3)cc2)CC1 55212150 NVKSLZZIBGJXIW-UHFFFAOYSA-N 415.534 1.871 0 50 HDAA CN(C)S(=O)(=O)N1CCC(C(=O)NCCCN2CCCc3ccccc32)CC1 67604866 NYQRLMZCSXAAPY-UHFFFAOYSA-N 408.568 1.464 0 50 HDAA CN1CCN(C(=O)[C@H]2CCCN(C3CCN(c4noc(C5CC5)n4)CC3)C2)CC1 71661827 SUBXEYDBACXNOP-KRWDZBQOSA-N 402.543 1.402 0 50 HDAA CSCC[C@H](N)C(=O)N1CCC2(CCC(=O)N(CCc3ccccn3)C2)CC1 91505707 LHLPRFCGJGUHNM-SFHVURJKSA-N 404.580 1.936 0 50 HDAA O=C(NC[C@@H]1CCCO1)[C@H](Cc1ccccc1)N1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O 239347377 MUMJFVIKAVCMQJ-WQAUDIEISA-N 420.509 1.946 0 50 HDAA O=C(NC1CCN(Cc2nnn3c2CO[C@@H](c2ccccc2)C3)CC1)c1cnccn1 263617735 PJTUXITWKBESBQ-OAQYLSRUSA-N 419.489 1.734 0 50 HDAA CNC(=O)c1cc(O[C@@H]2CCCN(C(=O)c3cnc4sccn4c3=O)C2)ccn1 328591822 PEMOPPIIBAKLJQ-CYBMUJFWSA-N 413.459 1.194 0 50 HDAA Cc1nnnn1-c1cccc(NC(=O)c2ccc(OCC(=O)N3CCOCC3)cc2)c1 952984403 UTUVLXVQNYEGRV-UHFFFAOYSA-N 422.445 1.461 0 50 HDAA Cc1ncsc1C(=O)N1CCC2(CCc3c(O)nc(N4CCOCC4)nc32)CC1 1857723331 ALEHOXRIOSVZBI-UHFFFAOYSA-N 415.519 1.904 0 50 HDAA COCc1nnc(N2C[C@@H](C(=O)N(CCO)Cc3ccccc3F)CC2=O)s1 1857737958 LEMYUVJEMXNMHT-ZDUSSCGKSA-N 408.455 1.198 0 50 HDAA Cn1cnnc1C[C@H](NC(=O)[C@H]1C[C@]1(C)c1cccc(Br)c1)C(=O)O 2325853787 BKDJIILAHABMMQ-IIYDPXPESA-N 407.268 1.667 0 50 HDAA COc1cccc(C[C@H]2[C@H]3C[C@H](CN(C(=O)[C@@H](N)[C@@H](C)O)C3)[C@@H]3CCCC(=O)N23)c1 2356145686 RVOCJCOMMYMIBH-GLUNRCAOSA-N 415.534 1.174 0 50 HDAA COc1ccc(S(=O)(=O)NCCCNS(=O)(=O)c2ccc(OC)cc2)cc1 2745597 CMYHGJFXYZROFW-UHFFFAOYSA-N 414.505 1.351 0 50 HDAA O=C(NCCc1nnc2n1CCN(Cc1c(F)cccc1F)CC2)[C@H]1CCCO1 20452250 IRNODQMSIXBZCI-QGZVFWFLSA-N 405.449 1.452 0 50 HDAA Cc1cc(N2CCN(S(=O)(=O)c3cccnc3)CC2)nc(N2CCCCC2)n1 67621929 YPHAOPKLQWDQNM-UHFFFAOYSA-N 402.524 1.681 0 50 HDAA O=c1c(Cl)c(N2CC[C@H](CO)[C@@H](O)C2)cnn1-c1ccc(C(F)(F)F)cn1 225405483 RMCIGXNUIHHTIK-SKDRFNHKSA-N 404.776 1.479 0 50 HDAA C[C@@H](Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)c1ccccc1Cl 225536708 UQZKYRIIOYXZDD-IUAXGMLLSA-N 405.842 1.264 0 50 HDAA CC(=O)N1CCCC[C@@H]1CCS(=O)(=O)N1CCC[C@@H]1CN1C[C@H](C)O[C@@H](C)C1 253432821 OOFKIKYAMIQVKB-RAUXBKROSA-N 415.600 1.681 0 50 HDAA CN1C(=O)CN(C(=O)CCC[S@@](=O)c2ccc(Br)cc2)CC1=O 328590060 URZVWLXWYKGHBA-HSZRJFAPSA-N 401.282 1.164 0 50 HDAA CCc1cccc(OC[C@H](O)Cn2cnc3nc(N4CCOCC4)sc3c2=O)c1 328596124 TUVWBVFKCXFPMW-OAHLLOKOSA-N 416.503 1.692 0 50 HDAA CN1CCC2(CCN(C(=O)[C@@H]3CCCN3S(=O)(=O)c3cccs3)CC2)C1=O 445254590 ABDXTEZHBGSIOE-AWEZNQCLSA-N 411.549 1.372 0 50 HDAA O=C(Nc1ccc(OCC(=O)N2CCOCC2)cc1)[C@@H](c1ccccc1)n1cnnn1 827968239 DQAGMUQLXUTHTM-HXUWFJFHSA-N 422.445 1.139 0 50 HDAA CCn1nc(CC(C)C)cc1C(=O)N1C[C@H]2CN(Cc3cnc[nH]3)C[C@@]2(CO)C1 1772814991 XHLVZODWMGHMTL-IERDGZPVSA-N 400.527 1.391 0 50 HDAA O=C(NC1CC1)[C@H]1C[C@H]2CN(C(=O)c3cccc(O)n3)CC(=O)N2[C@H]1c1ccccc1 1857709116 GIINMRNFXYLESJ-FIKGOQFSSA-N 420.469 1.480 0 50 HDAA COCCN=c1[nH]c(CC(=O)N2C[C@H](CC(=O)OC)CC23CCOCC3)cs1 1875353581 YNULJAJYRZYTCS-CQSZACIVSA-N 411.524 1.127 0 50 HDAA CCOC(=O)CNC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1cccs1 1803466 XSYQUIVNJJABLP-HNNXBMFYSA-N 408.501 1.543 0 50 HDAA Cc1nn(C)cc1N1C(=O)/C(=C/c2cnn(C)c2)N=C1SCC(=O)NCC(C)C 2732240 XTVQTYTWTJRSGD-UUASQNMZSA-N 415.523 1.711 0 50 HDAA O=C1C[C@@H](C(=O)N2CC(=O)N(C3CCCCC3)C[C@@H](OCc3ccccc3)C2)CN1 14748803 LGBLGQBIRLSBSH-QUCCMNQESA-N 413.518 1.711 0 50 HDAA CC(=O)Nc1ccc(CN2CCc3nnc(CCNC(=O)c4ccoc4)n3CC2)cc1 14878802 YNILAFBWKSHRCP-UHFFFAOYSA-N 422.489 1.860 0 50 HDAA COc1ccc(/C=C/C(=O)NCCn2cc(C(=O)NCc3ccccn3)nn2)cc1 14973770 JLQKKOORKWORGW-JXMROGBWSA-N 406.446 1.441 0 50 HDAA CCCN1CCN(Cc2ccc(OC)c(OC[C@@H](O)CN3CCN(C)CC3)c2)CC1 20166030 OMIHGCQWDIVEQL-NRFANRHFSA-N 420.598 1.210 0 50 HDAA COc1ccc(Cl)cc1C(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 38522436 ZTNRHQPBDYHRIX-UHFFFAOYSA-N 417.897 1.938 0 50 HDAA CC[C@H](C)[C@H](CO)NC(=O)CC[C@H]1N=C(O)N(Cc2ccc3c(c2)OCO3)C1=O 252570454 WTUQBARDQGWPJY-CFVMTHIKSA-N 405.451 1.344 0 50 HDAA O=C1CN(C[C@@H](O)CO)C[C@H](OCc2cccc(F)c2)CN1CCc1ccccc1 257372261 GWGVUAHMDQBCFV-YADHBBJMSA-N 416.493 1.451 0 50 HDAA C[C@H](C(=O)N1CCC[C@H](n2ncc(N3CCN(C)CC3)cc2=O)C1)c1ccccc1 328602553 CATSCHSKTQFDEJ-ICSRJNTNSA-N 409.534 1.962 0 50 HDAA O=C(NCc1ccc(Cl)cn1)C(=O)Nc1cccc(N2CCCS2(=O)=O)c1 678915888 QZTQGZWDFFLVEA-UHFFFAOYSA-N 408.867 1.530 0 50 HDAA CN(C)c1nc(Cl)nc2c1ncn2CC(=O)NC[C@@H]1CCCN2CCCC[C@H]12 827864164 BUEIIVICSGWBQI-UONOGXRCSA-N 405.934 1.926 0 50 HDAA biogenic Cc1cc(O)nc2ccc(S(=O)(=O)N3CCN(CC(C)C)[C@@H](CCO)C3)cc12 952965903 BBMPYJMBTAXEHM-INIZCTEOSA-N 407.536 1.962 0 50 HDAA Cc1cc(C(=O)N[C@]2(C)CCOC3(CCN(C(=O)c4cc[nH]c4)CC3)[C@H]2O)n(C)n1 1704330595 XZFYCGYQDLREAG-VQTJNVASSA-N 415.494 1.001 0 50 HDAA O=C(CCc1ccsc1)N1C[C@@H]2CN(C(=O)c3cccc(O)c3)C[C@@]2(CO)C1 1772708135 CFKBLCBTRUZUSD-DYESRHJHSA-N 400.500 1.979 0 50 HDAA O=S(=O)(c1ccc2nc(O)nc(O)c2c1)N1CC[C@@](O)(Cc2ccccc2F)C1 1875254516 XBKDPPOBVINMNF-LJQANCHMSA-N 419.434 1.548 0 50 HDAA C[C@@H]1[C@H](C(=O)N2CCC[C@@](C)(CNC(=O)c3cnn4c3OCCC4)C2)CCN1C 1875330640 WKRSVNLGAXXYAB-ZOCZFRKYSA-N 403.527 1.364 0 50 HDAA Cc1cnc(-c2cn(-c3ccc4c(c3)C(=O)N([C@@H]3CCC(=O)NC3=O)C4)nn2)c(C)c1 1875355475 KZXRGQXVPWGFJB-GOSISDBHSA-N 416.441 1.707 0 50 HDAA O=C1CC[C@H](N2Cc3cc(-n4cc(-c5cccc(Cl)n5)nn4)ccc3C2=O)C(=O)N1 1875356402 UZNRTOWKZHWCQE-INIZCTEOSA-N 422.832 1.744 0 50 HDAA O=C(/C=C/c1cnc2ccccc2n1)N[C@H]1CCS(=O)(=O)C2(CC(C(=O)O)C2)C1 2325770834 MARARHOPOUZIDE-XHTDTIMASA-N 415.471 1.570 0 50 HDAA Cc1cnc2c(cnn2CC(=O)N2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)c1 2325793475 WEOMOQFHIZGJGE-ATCHWDNASA-N 409.490 1.367 0 50 HDAA C[C@](Cc1ccc(F)cc1)(NC(=O)CCCCn1cnc2c(N)ncnc21)C(=O)O 2325851335 WRNMRXHBGMBADS-HXUWFJFHSA-N 414.441 1.920 0 50 HDAA CCN1C[C@H](C(=O)N2CCCC[C@@H](NC(=O)c3cccc(C)c3N)C2)CCC1=O 2325864253 JZYZOTMXGHPZLE-IAGOWNOFSA-N 400.523 1.947 0 50 HDAA CCOC(=O)c1cnc(SCC(=O)Nc2ccccc2N2CCOCC2)nc1N 781003 VSFOXXOBMSSFII-UHFFFAOYSA-N 417.491 1.803 0 50 HDAA NC(=O)NS(=O)(=O)c1ccc(NC(=S)NC(=O)/C=C/c2ccccc2)cc1 2913458 XJXVOBHIWUEZHT-IZZDOVSWSA-N 404.473 1.570 0 50 HDAA Cc1ccccc1[C@@]1(CC(=O)N2CCC[C@H]2C(N)=O)CC(=O)N(C2CCCC2)C1=O 11839544 CKYHYQNLUDHUHN-FDDCHVKYSA-N 411.502 1.801 0 50 HDAA O=C(NCc1nnc2n1CCN(C(=O)Cc1c(F)ccc(F)c1F)CC2)C1CC1 11842144 AJKXMYVPHSEGCU-UHFFFAOYSA-N 407.396 1.349 0 50 HDAA COc1cccc(CCNC(=O)C[C@@H]2C(=O)NCCN2C2Cc3ccccc3C2)c1 15063982 HPQNAQJUHCLZOA-JOCHJYFZSA-N 407.514 1.712 0 50 HDAA CN(C)C(=O)N1CCC(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 59759762 VRXVUTPKPBBZSE-UHFFFAOYSA-N 424.523 1.040 0 50 HDAA COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)c1cc(F)cc(F)c1)CC2 95504945 NNIIUNNTLYKWSE-UHFFFAOYSA-N 404.417 1.851 0 50 HDAA Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)N1CCC(NC(=O)C2CCCCC2)CC1 111037979 KVYDLMJPZXFYNU-UHFFFAOYSA-N 413.522 1.869 0 50 HDAA Cc1nc(-c2c3n(c(=O)n(CC(=O)NCc4ccc(F)cc4)c2=O)CCCC3)no1 169763912 SNUKHJOQLHOYIC-UHFFFAOYSA-N 413.409 1.160 0 50 HDAA COC(=O)[C@H](NC(=O)CSc1nnc(-c2cccs2)n1C)c1ccn(C)n1 170605744 LQKDTAFHYVGTFL-CYBMUJFWSA-N 406.493 1.400 0 50 HDAA Cc1c(C(=O)NC[C@H]2CN(CC3CCN(CC4CC4)CC3)C(=O)CO2)ccn1C 299774431 CYMSAECUSSTXNC-IBGZPJMESA-N 402.539 1.413 0 50 HDAA Cc1csc([C@@](O)(CC(=O)N2CCC(N3CCCNC3=O)CC2)C(F)(F)F)n1 748933921 BAHJRQMQCMCPPN-INIZCTEOSA-N 420.457 1.998 0 50 HDAA Cc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)Nc2cccc(-n3nnnc3C)c2)o1 952973317 GQRVJXURZZHOJN-SFHVURJKSA-N 409.450 1.201 0 50 HDAA CNc1nc2c(c(C(=O)N3CCCC3)n1)CN(C(=O)c1cnn3cccc(C)c13)CC2 1772701073 BNNUTDWRCKWDSX-UHFFFAOYSA-N 419.489 1.909 0 50 HDAA Cc1ccc(NC(=O)CN2CCCN(C(=O)[C@@H]3CCC(=O)N(C)C3)CC2)cc1F 1772710000 NLZFFCVUZMWQRO-MRXNPFEDSA-N 404.486 1.475 0 50 HDAA O=C(N[C@H]1CS(=O)(=O)C[C@H]1NC1CCCC1)c1ccc(N2CCCC2=O)cc1 1772811841 YOZPSULKCJEUKY-MSOLQXFVSA-N 405.520 1.241 0 50 HDAA CC(C)C[C@@H]1[C@H](C(=O)NCc2cscn2)C[C@@H]2CN(c3ncccn3)CC(=O)N21 1857685688 PNTLRMUVPAZANJ-BRWVUGGUSA-N 414.535 1.701 0 50 HDAA CN1C(=O)COc2ccc(C(=O)N3CC[C@@H](O)[C@@](CO)(Cc4ccccc4)C3)cc21 1857722293 GFRIXVPXCJFSIQ-OFNKIYASSA-N 410.470 1.470 0 50 HDAA Cc1nn(C)c(C)c1CCC(=O)N1CC[C@H](O)[C@@](CO)(Cc2ccc(F)cc2)C1 1857724663 MKVCYUSZQCUOEF-UNMCSNQZSA-N 403.498 1.923 0 50 HDAA Cc1ncc(S(C)(=O)=O)c(N2C[C@@H]3OCCC(=O)N(Cc4ccccc4)[C@H]3C2)n1 1857732170 FVJYQPWLIQSWHH-IRXDYDNUSA-N 416.503 1.195 0 50 HDAA CCCN=c1[nH]c(C(C)(C)C)nc2c1CC[C@@]21CCCN(C(=O)CNC(C)=O)C1 1875245145 LYIGQKFOYFCHLY-JOCHJYFZSA-N 401.555 1.960 0 50 HDAA Cn1ccnc1[C@@]1(CNC(=O)c2ccc(OC3CCCCC3)cc2)NC(=O)NC1=O 1875328727 JZZNUVSNPYUHCY-OAQYLSRUSA-N 411.462 1.596 0 50 HDAA CCn1c(O)nc2cc(C(=O)N[C@@H]3CCN(C(=O)c4ccccc4)C3)ccc2c1=O 2325739589 UJVGVPLFTXDKKF-MRXNPFEDSA-N 406.442 1.767 0 50 HDAA C[C@@H](NC(=O)CN(C)C1=NS(=O)(=O)c2ccccc21)[C@H](O)c1c(F)cccc1F 2325747307 FERIAMZXATWWNM-ZMZPIMSZSA-N 423.441 1.584 0 50 HDAA O=C1NC[C@H]2CCCN(C2)C(=O)CCNCC=CCOc2cn(-c3ccccc3)nc21 2325893995 HJSZDOZPBPQPDZ-GOSISDBHSA-N 423.517 1.769 0 50 HDAA CCOC(=O)[C@]1(Cc2cccc(OC)c2)CCCN(C(=O)C2=NNC(=O)CC2)C1 12578575 AVXUBFZMGZANTE-NRFANRHFSA-N 401.463 1.676 0 50 HDAA CCCn1nc(C(=O)N2CCCCC2)c2c1CC[C@H](NCCN1CCOCC1)C2 23353939 YPFRFLCLLBFIAC-SFHVURJKSA-N 403.571 1.698 0 50 HDAA O=C(C[C@@H]1C(=O)NCCN1Cc1cccc(F)c1)NCCCOc1cccnc1 55099743 MYCGCGVLFXCRQG-LJQANCHMSA-N 400.454 1.497 0 50 HDAA CCN1CCCC[C@H]1C(=O)N1CCC(N2CCC(C(=O)N3CCOCC3)CC2)CC1 71747161 WZZHHCUVNUVMNG-NRFANRHFSA-N 420.598 1.423 0 50 HDAA CN(CC1(CO)CC1)C(=O)[C@H]1CCCN(C2CCN(Cc3cccnc3)CC2)C1 71752209 SRGNKYKCVHBTOB-FQEVSTJZSA-N 400.567 1.989 0 50 HDAA C[C@H](NC(=O)c1cn2cc(-c3ccccc3Cl)n(CC3CC3)c(=O)c2n1)C(N)=O 72436136 RUUQJTXUCPUSSU-NSHDSACASA-N 413.865 1.830 0 50 HDAA CN1CCN(C(=O)[C@@H]2CCCN(C3CCN(CCc4ccccc4)CC3)C2)CC1=O 82093062 DUTBXZDQUMIYRR-OAQYLSRUSA-N 412.578 1.706 0 50 HDAA CC1CCN(Cc2nnnn2CCCC(=O)N(C)Cc2n[nH]c3c2CCC3)CC1 95530934 IWPCXFLVXHBBBL-UHFFFAOYSA-N 400.531 1.556 0 50 HDAA CCN(CC)S(=O)(=O)c1ccc(CNC(=O)CCCCN2CCOCC2)cc1 170619850 BGNDKVYXAGEMPN-UHFFFAOYSA-N 411.568 1.836 0 50 HDAA CC[C@H]1CN2CCC[C@H]2CN1C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 252477496 PIUQXFQOOQYOPA-ROUUACIJSA-N 422.551 1.798 0 50 HDAA COc1ccc(CCN2C(=O)[C@@H](CCC(=O)N[C@@H](CO)CCSC)N=C2O)cc1 252537122 KJCZXMKQUBUPEV-NVXWUHKLSA-N 423.535 1.373 0 50 HDAA CC(C)(C)OC(=O)N1CCN(C2CCC(NC(=O)CCN3CCCC3=O)CC2)CC1 253428303 JXDUBYZJHNWTGC-UHFFFAOYSA-N 422.570 1.979 0 50 HDAA CN(C(=O)c1cccc(S(=O)(=O)N2C[C@@H]3C[C@H]4C[C@H]3[C@@H]2[C@@H]4O)c1)c1ccccn1 408524971 FCRZYOOFKDCOIW-JGKKSEDXSA-N 413.499 1.748 0 50 HDAA Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](C)c3ncn(C)n3)CC2)c(C)c1 444390686 GZKRCCNXRGEQIB-OAHLLOKOSA-N 405.524 1.710 0 50 HDAA COCC(=O)Nc1ccc(NC(=O)C2CCN([C@@H]3CCS(=O)(=O)C3)CC2)cc1C 952986203 JZYUTDPABWVFQM-QGZVFWFLSA-N 423.535 1.418 0 50 HDAA Cc1cc(N2CCN(c3cncc(C(=O)N(C)C)n3)CC2)nc(-c2ccccc2O)n1 1529133620 AQZXHQDOODBVMR-UHFFFAOYSA-N 419.489 1.976 0 50 HDAA COc1ccc([C@@H]2[C@H](C(N)=O)C[C@@H]3CN(C4Cc5ccccc5C4)CC(=O)N23)cc1 1857689200 IOFOGRHJVPVCSG-KJXAQDMKSA-N 405.498 1.922 0 50 HDAA COc1cc(-c2nccn2-c2cn(C)nc2C)ccc1OCC(=O)N1CCOCC1 1857691124 VAYNSWXWCGWHEE-UHFFFAOYSA-N 411.462 1.827 0 50 HDAA Cc1nn[nH]c1C(=O)N1CCC(N2C[C@@H](COc3ccc(F)cc3)OCC2=O)CC1 1857708656 FXHXIRKFWPQFSE-KRWDZBQOSA-N 417.441 1.163 0 50 HDAA CCCO[C@H]1C[C@@H](C(=O)NCc2cnccn2)CC[C@@H]1NC(=O)c1cn(C)cn1 1875246194 AESCOTMJGWBQGB-ZVZYQTTQSA-N 400.483 1.220 0 50 HDAA O=C(NC[C@@H]1COc2ccccc2O1)C(=O)N(CCCO)[C@@H]1CCc2ccccc21 1875253348 RMYVSZLWEIQNFF-IEBWSBKVSA-N 410.470 1.841 0 50 HDAA Cc1ccc(-c2cn(-c3cccc4c3CN([C@H]3CCC(=O)NC3=O)C4=O)nn2)nc1 1875356831 UNLIKASBJHTOIC-SFHVURJKSA-N 402.414 1.399 0 50 HDAA O=C1CC[C@H](N2Cc3cc(C(=O)N4CCC[C@@]5(CCCCN5)C4)ccc3C2=O)C(=O)N1 2325896286 VPPHKONUTJVCIS-MBSDFSHPSA-N 424.501 1.196 0 50 HDAA CN(C)S(=O)(=O)c1ccc(C(=O)Nc2cccc(C(=O)N3CCOCC3)c2)cc1 1159756 FDLAJVQFZBXFDR-UHFFFAOYSA-N 417.487 1.662 0 50 HDAA Cc1c(C)n2c3c(=O)n(CCCc4ccccc4)c(=O)n(C)c3nc2n1CCCO 10233631 WJVBGIYUWUCKFH-UHFFFAOYSA-N 409.490 1.781 0 50 HDAA Cc1noc(C)c1CC(=O)N1CCC(n2nccc2NC(=O)[C@H]2CCOC2)CC1 12055198 AGYBZVODDAIWGO-HNNXBMFYSA-N 401.467 1.869 0 50 HDAA O=C1CN(C(=O)[C@H]2CCOC2)C[C@@H](OCc2ccccc2)CN1Cc1cccnc1 14742839 PXKGLAJADNSVEV-SFTDATJTSA-N 409.486 1.874 0 50 HDAA COCCN1C(=O)N(C2Cc3ccccc3C2)C(=O)C12CCN([C@H](C)COC)CC2 14751859 HNQLIGKXWOHCHE-QGZVFWFLSA-N 415.534 1.934 0 50 HDAA CCOc1ccccc1CN1CCNC(=O)[C@H]1CC(=O)NCCc1cscn1 23399654 CFZOUXOYTZDPIK-QGZVFWFLSA-N 402.520 1.591 0 50 HDAA O=S(=O)(c1ccc(Cl)cc1)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 38530776 WFMRPFAZRAHEKK-UHFFFAOYSA-N 423.926 1.478 0 50 HDAA COc1ccc(OC2CCN(C(C)=O)CC2)c(C(=O)N(C)CCc2ncon2)c1 95526533 DIKHBUJDDAXBTL-UHFFFAOYSA-N 402.451 1.783 0 50 HDAA O=C([C@H]1CC(=O)N(c2n[nH]c3ccccc23)C1)N1CCN(CCc2ccncc2)CC1 169772835 QOPSSOKORBTFTJ-SFHVURJKSA-N 418.501 1.698 0 50 HDAA NS(=O)(=O)c1ccc(C(=O)NCc2cccnc2N2CCOCC2)c(Cl)c1 253417634 OMRUHKIQQFUQRS-UHFFFAOYSA-N 410.883 1.149 0 50 HDAA CC(C)(C)[C@@H](NC(=S)NCCCN1CCOCC1)c1nc(-c2nc[nH]n2)no1 749744169 LXHCTVDBWSBPJY-LBPRGKRZSA-N 408.532 1.128 0 50 HDAA COC[C@@H]1CN(c2ncnc3c2ncn3C[C@H](CO)[C@H]2CCOC2)CC(C)(C)O1 824372054 DCFKJLMYGGQYJG-XHSDSOJGSA-N 405.499 1.102 0 50 HDAA O=C(NC[C@H]1CN(CC2CCN(CC3CC3)CC2)C(=O)CO1)c1ccc(F)c(O)c1 1857680242 ITVBIJOSUYVIBD-SFHVURJKSA-N 419.497 1.611 0 50 HDAA Cc1nc2nc[nH]n2c(=O)c1CCC(=O)N1CCCN(c2nc3ccccc3[nH]2)CC1 1875253870 JGDHOHYFWYSJLO-UHFFFAOYSA-N 420.477 1.274 0 50 HDAA Cc1cnc(-c2cn(-c3ccc4c(c3)C(=O)N([C@H]3CCC(=O)NC3=O)C4)nn2)c(C)c1 1875355476 KZXRGQXVPWGFJB-SFHVURJKSA-N 416.441 1.707 0 50 HDAA Cc1nn(C)c(N)c1C(=O)N(C)[C@@H]1CCCC[C@H]1N(C)C(=O)c1c(C)nn(C)c1N 2325706949 JRZVQXDYXFYDGH-ZIAGYGMSSA-N 416.530 1.090 0 50 HDAA O=C(CC1(CC(=O)NCC[C@@H]2CCC(=O)N2)CCCCC1)NCC[C@@H]1CCC(=O)N1 2325723720 XFWMMBAZCPLBRP-IRXDYDNUSA-N 420.554 1.287 0 50 HDAA Cc1c(N(CC(=O)O)S(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C 712249 OPKBTAKPMSRHLF-UHFFFAOYSA-N 401.444 1.764 0 50 HDAA biogenic CCn1ncc(Cl)c1CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2cnn(C)c2)C1 2806544 GYAWUGKHZXEBMH-GFCCVEGCSA-N 414.919 1.007 0 50 HDAA Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccc3c(c1)OCO3)[C@@H]1C(=O)c3ccccc3C1=N2 4145083 ANBFDVKHKKQALL-IRXDYDNUSA-N 415.405 1.892 0 50 HDAA CN(CCCCN1CCOCC1)C(=O)C[C@H]1C(=O)NCCN1Cc1cccc(F)c1 11844444 YWOAMBPODIHIHH-FQEVSTJZSA-N 420.529 1.087 0 50 HDAA COC(=O)CN(C)C(=O)C[C@@H]1C(=O)NCCN1Cc1cccc(C(F)(F)F)c1 15063423 LSMMVESSWNGSDW-CQSZACIVSA-N 401.385 1.027 0 50 HDAA CN(CCc1cn[nH]c1)Cc1cnc(S(=O)(=O)CC2CC2)n1C[C@@H]1CCCO1 20351077 LKSXOMVCGWWTJW-SFHVURJKSA-N 407.540 1.643 0 50 HDAA O=C([C@@H]1CC(c2ccc(F)cc2)=NO1)N1CCN(S(=O)(=O)c2ccccc2)CC1 20608265 SWJYVYUXIAMWSY-IBGZPJMESA-N 417.462 1.852 0 50 HDAA Cc1cccnc1NC(=O)[C@@H]1CC(=O)N(c2ccc(S(=O)(=O)N(C)C)cc2)C1 36353915 VSFVMRILYZTKSH-CQSZACIVSA-N 402.476 1.632 0 50 HDAA C[C@H]1CCCN(CCCNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)C1 46959708 JBEOSRUXQUHTBA-KRWDZBQOSA-N 409.552 1.559 0 50 HDAA O=C1NCCN(Cc2cccnc2)[C@H]1CC(=O)N1CCC(OCc2ccccc2)CC1 55072550 WTPROMYIMULEHL-QFIPXVFZSA-N 422.529 1.980 0 50 HDAA COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cccc(C(N)=O)c3)C2)cc1 72437546 SKDXVVFHIMZZRM-HNNXBMFYSA-N 417.487 1.834 0 50 HDAA CCN1CCCC[C@H]1C(=O)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)COC 95524400 NVHKNGJOJKBSAA-KRWDZBQOSA-N 403.527 1.133 0 50 HDAA COC(=O)C1=NN(C(C)(C)CC(C)=O)[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]12 227096980 WAQBFKWHYQISIX-ZFWWWQNUSA-N 405.838 1.800 0 50 HDAA CCOc1ccc(/C=C/C(=O)NS(=O)(=O)c2[nH]cc3c2CCS3(=O)=O)cc1 252500811 TVSIOKSFKBPCPH-VMPITWQZSA-N 410.473 1.262 0 50 HDAA C[C@H](CN1CCc2ccccc2C1)NS(=O)(=O)c1ccc2oc(=O)n(C)c2c1 670441752 SSQNRBAADDSHQS-CQSZACIVSA-N 401.488 1.857 0 50 HDAA C[C@@H]1CCCN(C(=O)C2CCN(C(=O)CN3CCC4(CC3)CCN(C)C4=O)CC2)C1 683674126 OUVCGVSKWNVBKS-GOSISDBHSA-N 418.582 1.428 0 50 HDAA Cn1nc2n(c1=O)C[C@H](C(=O)N1CCCN(c3nc4ccccc4s3)CC1)CC2 1506423237 GLBOJUYWTUXJPN-CQSZACIVSA-N 412.519 1.493 0 50 HDAA O=C(CC1=CSC2=NCCCN12)N1CC[C@H](O)[C@](CO)(Cc2ccccc2)C1 1529101930 REFQWGPEOIYMAL-GHTZIAJQSA-N 401.532 1.841 0 50 HDAA COc1ccc(S(=O)(=O)N[C@@H]2CCC[C@@H](NC(=O)Cc3cc[nH]n3)C2)cc1C 1857680014 DXYGADGLYYKRBK-GDBMZVCRSA-N 406.508 1.675 0 50 HDAA Cc1cnc(F)c(C(=O)N2CC[C@@H]([C@H]3CCCN3C(=O)c3cc(C(N)=O)[nH]n3)C2)c1 1875389135 DFBKFTFDBJLJAB-MLGOLLRUSA-N 414.441 1.118 0 50 HDAA C=CC(=O)N(C)c1ccc(C(=O)Nc2ccc3c(c2)N(S(N)(=O)=O)CC3)cc1 2325889949 GUWXGLZZYTVKDS-UHFFFAOYSA-N 400.460 1.654 0 50 HDAA COc1ccccc1-c1noc(CCC(=O)N2CCC[C@]3(CN(C)CC[C@@H]3O)C2)n1 2356146304 AEENGCOKTFPCCG-AVRDEDQJSA-N 414.506 1.983 0 50 HDAA CCn1nc(C)c(CNCc2cccc(OC[C@@H](O)CN3CCOCC3)c2)c1C 11718056 NQZBHAWMYGQONQ-FQEVSTJZSA-N 402.539 1.882 0 50 HDAA Cc1ccc(CN2CCN(C(=O)C[C@H]3C(=O)NCCN3CC(C)(C)C)CC2=O)cc1 11842861 PYQWXQVSVFWULE-IBGZPJMESA-N 414.550 1.402 0 50 HDAA CCOC(=O)CCNC(=O)C[C@]1(c2ccccc2C)CC(=O)N(CCCOC)C1=O 12097195 SYBVUCSOTXJWAO-JOCHJYFZSA-N 418.490 1.488 0 50 HDAA CCOCCCNC(=O)[C@@H]1CCCN1c1nc(C)c2ccc(S(C)(=O)=O)cc2n1 12100178 HLVLJOPINBVMHQ-SFHVURJKSA-N 420.535 1.853 0 50 HDAA COCCNC(=O)CCC1CCN(C(=O)[C@H]2CC(=O)N(Cc3ccccn3)C2)CC1 12304760 QUDWBCGLYJBOLQ-SFHVURJKSA-N 416.522 1.212 0 50 HDAA COc1c(F)cc2c(=O)c(C(=O)N3CCC(C(N)=O)CC3)cn(CCF)c2c1F 20426628 RVUCSHVXRAHETM-UHFFFAOYSA-N 411.380 1.595 0 50 HDAA Cc1noc(C)c1CN(C)C(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(Cc4cccnc4)C(=O)[C@H]13)O2 77388768 BIXCEGBBKVOWQT-OZIGNCPNSA-N 408.458 1.627 0 50 HDAA CCC(CC)CN1C[C@]23C=C[C@H](O2)[C@H](C(=O)N2CCN(C(=O)OC)CC2)[C@@H]3C1=O 77426820 BMKBDQUHFRPINL-OPOADAIRSA-N 405.495 1.115 0 50 HDAA C[C@@]12CC[C@@H]3[C@H](CC[C@@]4(O)C[C@H](O)CC[C@]34C(=O)O)[C@@]1(O)CC[C@H]2C1=CC(=O)OC1 253530287 XJIILRFVONGQOG-KHPQIRNZSA-N 420.502 1.784 0 50 HDAA biogenic CC(C)C[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)O 257373273 UCNNZELZXFXXJQ-OKZBNKHCSA-N 407.511 1.408 0 50 HDAA CC(C)c1nnc([C@H]2CN(C(=O)c3ccc(N4CCCS4(=O)=O)cc3)CCO2)o1 433107153 XRWNRQPHDFSRJD-MRXNPFEDSA-N 420.491 1.947 0 50 HDAA O=C(O)[C@H]1CC(=O)N(c2ccc(S(=O)(=O)Nc3ccn(CC(F)F)n3)cc2)C1 484622424 WMAZTMCUJFSOQI-JTQLQIEISA-N 414.390 1.387 0 50 HDAA CCCS(=O)(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCCC[C@@H]2CN)cc1F 497355532 YEPOPTXBSHXYQE-DOMZBBRYSA-N 407.533 1.773 0 50 HDAA CN(c1ccc(C(=O)N[C@@H]2CCCN(C(=O)c3ccco3)C2)cc1)S(C)(=O)=O 828157980 IFIYLXUOQRRVQK-OAHLLOKOSA-N 405.476 1.710 0 50 HDAA CCN(Cc1ccccc1)C(=O)C1CCN(C(=O)CCn2ccc(O)nc2=O)CC1 1506417950 MNYDFTODSVHDSW-UHFFFAOYSA-N 412.490 1.626 0 50 HDAA CCc1ncc(C(=O)NC[C@@H]2CN(CC3CCN(CC4CC4)CC3)C(=O)CO2)cn1 1857679011 QECCRDUHHNLROP-LJQANCHMSA-N 415.538 1.118 0 50 HDAA CN(C)C(=O)c1ccc(CNC(=O)[C@@]23CC[C@@H](N4CCOCC4)C[C@H]2CCNC3)o1 1857688212 XKXWQBKMYXNTLH-DRSNIGMVSA-N 418.538 1.078 0 50 HDAA Cc1ncsc1CN1C[C@@H]2COC[C@]2(C(=O)NCCCn2cc(Cl)cn2)C1 1857699587 UYEUQFZTADUFRD-RDTXWAMCSA-N 409.943 1.956 0 50 HDAA CC(C)c1nnc(N2C[C@H](C(=O)N3CCC4(CCC(=O)N(C)C4)CC3)CC2=O)s1 1857725522 ZZKDLRUMPUWPCS-CQSZACIVSA-N 419.551 1.875 0 50 HDAA O=C1CC[C@H](N2Cc3ccc(CNC(=O)c4nc5ccccc5o4)cc3C2=O)C(=O)N1 2325896250 VBIYXNJMRLQDLH-INIZCTEOSA-N 418.409 1.519 0 50 HDAA O=C(NC[C@@H](O)c1ccccc1)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 1069941 MAKHGKHBGVIZCM-QGZVFWFLSA-N 424.906 1.824 0 50 HDAA COc1ccc(OC[C@@H](O)CN2CCC(O)CC2)c(CNCCCOC(C)C)c1 12459556 QHWULONEBMNOIV-FQEVSTJZSA-N 410.555 1.796 0 50 HDAA CS(=O)(=O)N1CCC(Oc2ccccc2C(=O)NCCCn2cccn2)CC1 12710563 UDRBGDBQGSQESZ-UHFFFAOYSA-N 406.508 1.506 0 50 HDAA CC(C)CN1C[C@H](OCc2ccccc2)CN(C(=O)C2=NNC(=O)CC2)CC1=O 14754170 NRWRJCOOQURRLW-KRWDZBQOSA-N 400.479 1.165 0 50 HDAA Cc1ccc(CNC(=O)c2nn(C)c3c2C[C@@H](NCCN2CCOCC2)CC3)o1 20406475 GOIGGDXTGPVCPN-INIZCTEOSA-N 401.511 1.031 0 50 HDAA CN(C(=O)C[C@@H]1C(=O)NCCN1Cc1ccccn1)C1CC(C)(C)NC(C)(C)C1 55226534 QZUMZQRJRHMTOZ-GOSISDBHSA-N 401.555 1.540 0 50 HDAA O=C(c1cc2ncccn2n1)N1CCC(N2CCC[C@H](C(=O)N3CCCC3)C2)CC1 71768022 QWZHTZAPLCMBHM-KRWDZBQOSA-N 410.522 1.668 0 50 HDAA CN(C)c1ccc(Br)c(S(=O)(=O)N2CCC[C@H]([C@H](O)C(=O)O)C2)c1 225617635 URRQBJICBZBYMM-HZMBPMFUSA-N 421.313 1.361 0 50 HDAA C/C=C/c1ccc(OCC(=O)NS(=O)(=O)c2ccc3[nH]nnc3c2)c(OC)c1 253424713 JYGATWQDZAXMCS-ONEGZZNKSA-N 402.432 1.884 0 50 HDAA O=C(NCCn1nc(-c2ccccc2)ccc1=O)[C@H]1CC(=O)N(Cc2ccccn2)C1 827695999 HJEGFNNUEQBPJF-SFHVURJKSA-N 417.469 1.470 0 50 HDAA O=C(NC[C@@H]1CCS(=O)(=O)C1)N1CCCN(c2nc3ccccc3s2)CC1 827939134 ORCLPMVFQHPTCY-AWEZNQCLSA-N 408.549 1.953 0 50 HDAA OC[C@H](Cn1cnc2c(N3CCCC[C@@H]3[C@@H]3CCC[C@@H]3O)ncnc21)[C@@H]1CCOC1 888098005 WWKPXWDIPQGRTG-SPOLIRPYSA-N 415.538 1.991 0 50 HDAA Cn1c(=O)oc2ccc(S(=O)(=O)N3CCC[C@@]4(CCc5cnc(N)nc54)C3)cc21 1704326023 RDVMUEULPMFMCN-LJQANCHMSA-N 415.475 1.172 0 50 HDAA CSCC(=O)N1C[C@H]2CN(C(=O)c3n[nH]c4ccccc34)C[C@]2(CN(C)C)C1 1772709878 IYLPESRHGLEWOO-XOBRGWDASA-N 401.536 1.388 0 50 HDAA CN(C)C(=O)C[C@H]1CN2C[C@H](NC(=O)c3cc4c(Cl)cccc4[nH]3)C[C@H]2CO1 1857683377 WIUIIVUHGPGHKC-RDBSUJKOSA-N 404.898 1.871 0 50 HDAA O=C1C[C@H]2[C@H](CCN2C(=O)c2cnc3ccccc3n2)N1Cc1noc(C2CC2)n1 1857692909 ZQLKISNOEXNRPP-IRXDYDNUSA-N 404.430 1.906 0 50 HDAA CN(C)c1nc(O)c2c(n1)[C@]1(CCCN(C(=O)CNC(=O)c3ccccc3)C1)CC2 1857700827 IJCUYRJRXAFZAW-JOCHJYFZSA-N 409.490 1.485 0 50 HDAA COCCN(C)C(=O)[C@@H]1C[C@@H]2CN(C(=O)c3ccc[nH]3)CC(=O)N2[C@@H]1CC(C)C 1857706121 ARDWNORWRDWHQV-JFIYKMOQSA-N 404.511 1.207 0 50 HDAA O=C1N[C@@H]2COC[C@H]1CN(C(=O)c1ccccc1-c1nc(-c3ccccc3)no1)C2 1875246560 BLTWBJQHZJWVOP-CVEARBPZSA-N 404.426 1.991 0 50 HDAA C[C@]1(C(=O)NC[C@@H](NC(=O)[C@H]2CCc3ccccc32)C2CC2)CCCNS1(=O)=O 1875345266 UBRSAWCFKNVCFO-WAOWUJCRSA-N 419.547 1.199 0 50 HDAA Oc1nc(N2CCOCC2)nc2c1CCC21CCN(c2ccnc3[nH]ncc23)CC1 2100540797 PWFFQGPIDMQKRT-UHFFFAOYSA-N 407.478 1.775 0 50 HDAA NCCc1ccc(NC(=O)c2ccc3c(c2)CN([C@H]2CCC(=O)NC2=O)C3=O)cc1 2325895467 AWRXMOFLHFBSMA-SFHVURJKSA-N 406.442 1.201 0 50 HDAA O=C1CC[C@H](N2Cc3ccc(C(=O)Oc4cccc5c4OCCO5)cc3C2=O)C(=O)N1 2325895739 IHQBRHQGPLGHBL-HNNXBMFYSA-N 422.393 1.438 0 50 HDAA NC(=O)c1ccc(CN2CCC3(CCc4c(O)nc(N5CCOCC5)nc43)CC2)cc1 2356163696 NUOIQSIEZJHZBH-UHFFFAOYSA-N 423.517 1.598 0 50 HDAA COC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(I)c(O)c(OC)c1 627182 XRRLKAWZYGSMOO-LLVKDONJSA-N 418.187 1.806 0 50 HDAA COc1ccc(OC)c(N(CC(=O)Nc2ccc(C(N)=O)cc2)S(C)(=O)=O)c1 1169720 UYOAXDHGOIOTFK-UHFFFAOYSA-N 407.448 1.207 0 50 HDAA NC(=O)Cn1c(CCCCc2nc3ccccc3n2CC(N)=O)nc2ccccc21 2816027 YINKSRJQCLABLK-UHFFFAOYSA-N 404.474 1.922 0 50 HDAA CCOC(=O)[C@@H]1[C@H](c2ccc(OC)cc2OC)NC(=S)N[C@@]1(O)C(F)(F)F 11859266 XNSMAEPYIRYMCY-HUBLWGQQSA-N 408.398 1.653 0 50 HDAA CN(Cc1cccc(OC[C@@H](O)CN2CCOCC2)c1)Cc1n[nH]c2c1CCCC2 11936683 ZZOQMFWALMAQIM-IBGZPJMESA-N 414.550 1.992 0 50 HDAA COc1cccc(CNCCCc2cccnc2)c1OC[C@H](O)CN1CCOCC1 12307828 JHAOXNJAJADDAX-OAQYLSRUSA-N 415.534 1.885 0 50 HDAA Cc1nc(CCNC(=O)C[C@H]2C(=O)NCCN2C2Cc3ccccc3C2)sc1C 12595601 ILTIJXHBRILEOJ-IBGZPJMESA-N 412.559 1.777 0 50 HDAA NS(=O)(=O)c1ccc(CCN[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 19597007 PQMKEUWLXYVFCS-MRXNPFEDSA-N 407.879 1.452 0 50 HDAA CCN1CCN(C(=O)c2cnc(C)nc2-c2ccccc2)[C@H]2CS(=O)(=O)C[C@H]21 95513144 CRBAPPNFJFMSCM-MSOLQXFVSA-N 400.504 1.395 0 50 HDAA O=C(C(=O)N1CCN(C(=O)c2cc(C(F)(F)F)cc(Cl)n2)CC1)N1CCCC1 225503775 ISADXJCSQXVHLH-UHFFFAOYSA-N 418.803 1.661 0 50 HDAA CCCCCCn1cc(S(=O)(=O)N2CC[C@H](C)C[C@@H]2[C@@H](C)O)c(O)nc1=O 253535988 UPPDUKZQWHGVIQ-RRFJBIMHSA-N 401.529 1.699 0 50 HDAA CC[C@H](CO)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3nccs3)cc2)CC1 408521146 JSEBJIVOMQLZOC-OAHLLOKOSA-N 424.548 1.473 0 50 HDAA COc1ccccc1-n1cc(CNC(=O)[C@H]2CC(=O)N(Cc3ccccn3)C2)cn1 670441087 QBDDWYQJMDYDSB-KRWDZBQOSA-N 405.458 1.941 0 50 HDAA Cc1cc(C)n(CCCNC(=O)C[C@H]2COc3ccc(C(=O)N(C)C)cc3N2C)n1 670453901 XLWXTJHLLAFHKI-SFHVURJKSA-N 413.522 1.996 0 50 HDAA CSc1ccccc1C(=O)N1C[C@@H]2CN(C(=O)CCc3cn[nH]c3)C[C@]2(CO)C1 1772705934 OMPPVJFXFGJRRB-HRAATJIYSA-N 414.531 1.657 0 50 HDAA COc1cc(S(=O)(=O)N2C[C@@H]3COCC[C@]3(C(=O)O)C2)c(OC)cc1Cl 1772712039 LCOYWZZNXOSBQX-HWPZZCPQSA-N 405.856 1.469 0 50 HDAA Cn1nc(-c2ccccc2)c2c1CCN(C(=O)NC[C@@H]1CCS(=O)(=O)C1)CC2 1857668111 AOBVJNVTGQYHFF-HNNXBMFYSA-N 402.520 1.632 0 50 HDAA O=C(c1ccc[nH]1)N1CCC[C@@]2(CCc3c2nc(-c2cccnc2)[nH]c3=NCCO)C1 1875250761 FJJBOJCUQOCLLW-HSZRJFAPSA-N 418.501 1.813 0 50 HDAA Cc1cc(=O)n(CCNS(=O)(=O)c2c(C)nn(-c3ccc(Cl)cc3)c2C)cn1 1875346095 SINDPDDYBHNIDW-UHFFFAOYSA-N 421.910 1.986 0 50 HDAA CCn1c(O)nc2cc(C(=O)N[C@H]3CCN(C(=O)c4ccccc4)C3)ccc2c1=O 2325739588 UJVGVPLFTXDKKF-INIZCTEOSA-N 406.442 1.767 0 50 HDAA O=C(NCCN1CCCS1(=O)=O)[C@H]1CC(c2cccc(Br)c2)=NO1 2325820483 ZQDWMVOPXWUJIF-CQSZACIVSA-N 416.297 1.094 0 50 HDAA COCCN1C(=O)C[C@H](C(=O)OC)C12CCN(C(=O)c1cccc(F)c1F)CC2 11882133 UZYWDKQCCPMAIN-CQSZACIVSA-N 410.417 1.608 0 50 HDAA CCNC(=O)c1nn(Cc2cccc(OC)c2)c2c1CN(C(=O)c1ccnn1C)CC2 14746167 MSVIRSUYMQESNW-UHFFFAOYSA-N 422.489 1.622 0 50 HDAA CCOc1ccccc1CN1CCc2nnc([C@H](C)NC(=O)CCOC)n2CC1 14884619 FAUPQTBLMUIOGN-INIZCTEOSA-N 401.511 1.949 0 50 HDAA COc1ccccc1[C@H]1CCCN1C(=O)CCCn1nnnc1CN1CCOCC1 20906438 NJOIFXVRTMBEKG-GOSISDBHSA-N 414.510 1.658 0 50 HDAA CCOC(=O)c1cc(NC(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C(=O)O)cc(C(=O)OCC)c1 169295717 KFAGGKYAWMFPEC-WCVJEAGWSA-N 405.403 1.857 0 50 HDAA C[C@H](C(=O)N1CC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1)N1CCSCC1 253417684 DGRPRAHMKSLUCM-SJORKVTESA-N 412.600 1.577 0 50 HDAA Cc1ccc(C(=O)NC[C@H]2CN(CC3CCN(CC4CC4)CC3)C(=O)CO2)c(O)n1 299769056 IPONFCZTWKASRG-SFHVURJKSA-N 416.522 1.175 0 50 HDAA Cc1nonc1CN1CCC(N2C[C@@H](COc3ccc(F)cc3)OCC2=O)CC1 299795935 MCAYKMBQAISCNS-SFHVURJKSA-N 404.442 1.788 0 50 HDAA COc1cc(=O)n2c(c1C(=O)N1CCN(C)CC1)CCN(Cc1ccsc1)CC2 299797445 QOTPIDIFRFBJOB-UHFFFAOYSA-N 416.547 1.364 0 50 HDAA O=C(Nc1cccc(S(=O)(=O)N2C[C@@H]3C[C@H]4C[C@H]3[C@@H]2[C@@H]4O)c1)c1cncs1 408521115 JACRXSFHEUUYOJ-JBAWGBACSA-N 405.501 1.785 0 50 HDAA Cn1c(CNC(=O)N2CCCC[C@@H]2CNS(C)(=O)=O)nc2cccc(Cl)c21 483310186 VYJGPGXCQZHDRB-GFCCVEGCSA-N 413.931 1.840 0 50 HDAA COC[C@@H]1CCCN(S(=O)(=O)NC23C[C@H]4C[C@@H](C2)CC(n2cncn2)(C4)C3)C1 1506417738 BJYBUDBBZJBUHZ-JKMZYOBQSA-N 409.556 1.519 0 50 HDAA O=C(Cn1cccnc1=O)N1CC[C@H]2[C@@H]1CC(=O)N2Cc1ccc(F)cc1Cl 1857692598 LZKXUBXVTPMNBK-HOTGVXAUSA-N 404.829 1.438 0 50 HDAA CCN1CC[C@@H]2C[C@@H](N3CCOCC3)CC[C@@]2(C(=O)NCCn2cc(Cl)cn2)C1 1857705739 SYVYTESKQKECRF-SLYNCCJLSA-N 423.989 1.866 0 50 HDAA CCN1CCC[C@H](n2cc([C@@H]3CCN(C(=O)c4ccc5c(c4)C(=O)NC5)C3)nn2)C1=O 1875359696 MXTMWQMCGWDDNF-APWZRJJASA-N 422.489 1.335 0 50 HDAA Cc1noc(CSCC(=O)N2CCCCNC(=O)C[C@@H]3CCCCN3CCC2)n1 2100532800 AGGMSBVGGBHAPZ-KRWDZBQOSA-N 423.583 1.985 0 50 HDAA Cc1nc(-c2ccc(C)c(S(=O)(=O)NCCN3CCCS3(=O)=O)c2)cs1 2325820265 KOSBTQNXJXWHOA-UHFFFAOYSA-N 415.562 1.741 0 50 HDAA Cc1cccc2ncc(C(=O)N3CCc4nc(C5CCOCC5)nn4CC3)c(=O)n12 2356147906 XLPOXOACGMCTLK-UHFFFAOYSA-N 408.462 1.187 0 50 HDAA CC(=O)Nc1nnc(S[C@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)s1 2882168 NVWJGGNOWDTJBJ-SSDOTTSWSA-N 401.495 1.263 0 50 HDAA Cc1nccn1CCCNC(=O)C[C@@H]1C(=O)NCCN1Cc1cccc(F)c1F 12441015 DGNBIEWCHJIJDB-QGZVFWFLSA-N 405.449 1.367 0 50 HDAA O=C1CC[C@H](C(=O)N2CCN(C3CCCCC3)C(=O)C2)CN1CCc1ccccn1 12448134 RFCPURZZYJVCFA-SFHVURJKSA-N 412.534 1.866 0 50 HDAA O=C1CN(C(=O)c2ccoc2)C[C@@H](OCc2cccnc2)CN1CC1CCOCC1 14539356 WZEJKIAVHJWIPJ-FQEVSTJZSA-N 413.474 1.971 0 50 HDAA O=C([C@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1)N1CCOCC1 16649124 HQSNJBMZXOGZGX-LJQANCHMSA-N 402.472 1.643 0 50 HDAA COc1ccccc1/C=C/CN1CCNC(=O)[C@H]1CC(=O)NCCc1cnccn1 55344255 APIMIJWMLQWNKP-FHHGHWCOSA-N 409.490 1.048 0 50 HDAA COC(=O)CC1CCN(C(=O)Cn2nc(-c3ccc(OC)cc3F)ccc2=O)CC1 61721432 HCJATZBMHCAXKC-UHFFFAOYSA-N 417.437 1.860 0 50 HDAA CN1CCC(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)CC1 65364392 UUZBGGZLKZFHEX-UHFFFAOYSA-N 401.916 1.185 0 50 HDAA O=C(c1cc2ncccn2n1)N1CCC(N2CCC[C@@H](C(=O)N3CCCC3)C2)CC1 71768023 QWZHTZAPLCMBHM-QGZVFWFLSA-N 410.522 1.668 0 50 HDAA CC(=O)OC[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)c1cnc2ccccc2n1 71769599 CZCMCRIAFRGXRB-XUVXKRRUSA-N 418.402 1.661 0 50 HDAA COc1cccc(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N(C)Cc3nnc(C)o3)[C@@H]4C2=O)c1 77287775 VMHHCIBPGXJIOT-UYZIEWPDSA-N 424.457 1.327 0 50 HDAA CN(C)S(=O)(=O)CCCS(=O)(=O)N(C)Cc1ccc(Br)cc1 170597246 DSGNTXPFHMJGRJ-UHFFFAOYSA-N 413.359 1.492 0 50 HDAA COC(=O)C1CCN(S(=O)(=O)N2CC[C@H](OCc3csc(C)n3)C2)CC1 170619740 WXFDYMMQVKCKOB-HNNXBMFYSA-N 403.526 1.172 0 50 HDAA C[C@H](O)[C@H]1N[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]12 252695308 YANRSASOKFLTAR-ZJCVFDKYSA-N 405.454 1.031 0 50 HDAA biogenic O=C(C[C@H]1NC(=O)c2ccccc2NC1=O)NCCc1nc(-c2ccccc2)no1 253408540 KVGXWTFVTCVUOO-MRXNPFEDSA-N 405.414 1.536 0 50 HDAA biogenic Cc1nc(C)c(C(=O)NC[C@H]2CN(C3CCN(C4CCC4)CC3)C(=O)CO2)s1 299795095 KTGONXWMJBDKOC-KRWDZBQOSA-N 406.552 1.734 0 50 HDAA Cc1nccn1-c1ncccc1CNC(=O)C(=O)Nc1ccc(Br)nc1 766374709 NPMOSOVVMPBYPC-UHFFFAOYSA-N 415.251 1.988 0 50 HDAA CCS(=O)(=O)N1CCN(C(=O)C2CCN(C(=O)c3ccc(C)cc3)CC2)CC1 823412985 DRUNVQVVBFWMBJ-UHFFFAOYSA-N 407.536 1.341 0 50 HDAA COc1ccc(CCNC(=O)COc2c3c(cc4c2C(=O)N(C)CC4)OCO3)cc1 824664725 DPQBWVPNWVJIHA-UHFFFAOYSA-N 412.442 1.790 0 50 HDAA biogenic Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CC(=O)OC34CCCC4)CC2)cc1 827693852 YJNOVFODSKLLHL-KRWDZBQOSA-N 406.504 1.704 0 50 HDAA Cc1[nH]nc(CN2C[C@H]3CN(C(=O)c4cnc(C5CC5)nc4)C[C@@]3(CO)C2)c1Cl 1772813538 GLNSWLIBJAASDO-MGPUTAFESA-N 416.913 1.605 0 50 HDAA O=C(CN1CCc2ccccc2C1)N[C@@H]1CCC[C@@H](NS(=O)(=O)N2CCCC2)C1 1857667170 VHWRAFUVWAIJOS-WOJBJXKFSA-N 420.579 1.402 0 50 HDAA COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1ccc(OC)c(Oc2ccc(CN)cc2F)c1 1857690138 BNMUHGUTERFEJG-ZBFHGGJFSA-N 418.421 1.834 0 50 HDAA CN1CCCN(C[C@@H]2OCCN(C(=O)c3cscn3)[C@H]2c2cnn(C)c2)CC1 1857717533 XPWXROOVTARSQT-ROUUACIJSA-N 404.540 1.096 0 50 HDAA COc1ccc(CC(=O)N2CCO[C@@H](CN(C)C)[C@@H]2c2cnn(C)c2)c(OC)c1 1857722411 HCCNRXUXQOAMMA-FPOVZHCZSA-N 402.495 1.510 0 50 HDAA CN(C)CC(=O)N1CCc2ncc(CNC(=O)c3cccc4c3CCC4=O)cc2C1 1875247323 ZWCNBFVGXCYVKP-UHFFFAOYSA-N 406.486 1.587 0 50 HDAA Cn1ccn2ncc(C(=O)N3CCCCNC(=O)C[C@H]4CCCCN4CCC3)c12 2100533245 HITGAWFIAYPCHH-QGZVFWFLSA-N 400.527 1.660 0 50 HDAA COc1cc(C(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)c2ccc(-c4ncc[nH]4)cc2)C3)n(C)n1 2325873019 VRLQTNANJRFTLA-RLFYNMQTSA-N 406.446 1.462 0 50 HDAA O=C1CC[C@@H](N2Cc3ccc(CN=c4nc(C5CCC5)[nH]s4)cc3C2=O)C(=O)N1 2325898233 XSPQGYPXQHKFLD-OAHLLOKOSA-N 411.487 1.601 0 50 HDAA CC1CCN(S(=O)(=O)NCc2cc(CNC(=O)c3cccn3C)ccn2)CC1 2356142860 KYJLVEZQBTVKTO-UHFFFAOYSA-N 405.524 1.416 0 50 HDAA COC(=O)CNC(=O)CN(c1ccc(OC)cc1OC)S(=O)(=O)c1ccccc1 5225676 PZHUMPLOKKLFRH-UHFFFAOYSA-N 422.459 1.188 0 50 HDAA biogenic,in-vitro OCC(CO)(CO)NC[C@@H](O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 5616496 GETQKLUOZMYHGE-CQSZACIVSA-N 413.301 1.768 0 50 HDAA COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NC2Cc3ccccc3C2)c(OC)c1 12458502 FRTMQADDLCBIKF-NRFANRHFSA-N 423.513 1.678 0 50 HDAA CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)C[C@@H](C)c3ccccc3)[C@@H]2SC1 13959952 NFWOAGOKRSGCBI-DQNAHFDYSA-N 418.471 1.482 0 50 HDAA CCOC(=O)N1CCN(C(=O)CN(c2ccc(F)c(Cl)c2)S(C)(=O)=O)CC1 16426031 PCEVCJCYDWVBRW-UHFFFAOYSA-N 421.878 1.546 0 50 HDAA O=C1CC[C@@H](C(=O)N2CCC(CCn3cccn3)CC2)CN1CCN1CCOCC1 19228886 VRGQMMVQYYZEDQ-HXUWFJFHSA-N 417.554 1.083 0 50 HDAA COC(=O)CCCNC(=O)c1coc(CN2CCN(Cc3ccccc3)CC2)n1 20256651 RPVQSNVPXDOLQE-UHFFFAOYSA-N 400.479 1.675 0 50 HDAA COc1ccc(S(=O)(=O)N2CCN(c3cc(-n4cccn4)ncn3)CC2)cc1 65365863 BZUSPGQXTXXIKU-UHFFFAOYSA-N 400.464 1.182 0 50 HDAA COc1cccc(S(=O)(=O)N2CCN(c3cc(-n4ccnc4)nc(C)n3)CC2)c1 67622681 BLJCTZUROLNXKH-UHFFFAOYSA-N 414.491 1.490 0 50 HDAA CCS(=O)(=O)N1CCc2ccc(S(=O)(=O)NCCc3ccccn3)cc2C1 77353980 QUYIUVUBIDNFBJ-UHFFFAOYSA-N 409.533 1.310 0 50 HDAA COC(=O)c1cn(CC(OC)OC)c(C(=O)OC)c(OCc2ccccc2)c1=O 199562713 QBJPWCRXDNYWTK-UHFFFAOYSA-N 405.403 1.619 0 50 HDAA Nc1nccc([C@H]2CCCN(S(=O)(=O)c3ccc4c(c3)CCCC(=O)N4)C2)n1 225829748 QEALVXKMJIQNQQ-AWEZNQCLSA-N 401.492 1.902 0 50 HDAA C[C@H](NC(=O)C(=O)N[C@H](C)[C@H]1COc2ccccc2O1)[C@H]1COc2ccccc2O1 245231844 KEUUMAZYNPYVIQ-RYMBOPBQSA-N 412.442 1.676 0 50 HDAA biogenic COC(=O)c1cccc(CN2CCN(C(=O)c3cn4ccccc4n3)CCC2=O)c1 299755013 BQCPMMNFGTVLCK-UHFFFAOYSA-N 406.442 1.996 0 50 HDAA O=C(Cn1cnc2ccsc2c1=O)NC12C[C@@H]3C[C@H](C1)CC(n1ncnn1)(C3)C2 670474133 CUAUWQOSNXDBNZ-NFAYLAGKSA-N 411.491 1.309 0 50 HDAA Cc1nc(O)nc(C)c1CCC(=O)N[C@H]1C2CN3CCN(C2)CC1(c1ccccc1)C3 828005884 RWSKLPVKPFAQCW-IGSLEHJCSA-N 421.545 1.415 0 50 HDAA CCN(CCc1nc2cccc(C)c2[nH]1)C(=O)CCN(C)[C@H]1CCS(=O)(=O)C1 952987908 KKHWNYKRVFJLOO-INIZCTEOSA-N 406.552 1.771 0 50 HDAA CN(C)S(=O)(=O)Nc1ccc(S(=O)(=O)N(C)CC[C@H]2CCCCO2)cc1 952987949 OYDDSJTYHOQDTL-OAHLLOKOSA-N 405.542 1.485 0 50 HDAA COc1ccc(N2C[C@@H](C(=O)N[C@@H]3CCN(c4cnn(C)c4)C3)CC2=O)c(OC)c1 1322956865 GBLSRCBMXZSRGD-LSDHHAIUSA-N 413.478 1.185 0 50 HDAA CCS(=O)(=O)N1CCN(c2noc(-c3ccc(F)c(OC)c3)c2C(=O)O)CC1 1772700707 DMOKWMWQDFCZAQ-UHFFFAOYSA-N 413.427 1.659 0 50 HDAA CCOC(=O)[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CCN(C(=O)c1ccncc1)C2 1857688172 WLLJTQYCYRDWQG-WOIUINJBSA-N 401.507 1.978 0 50 HDAA O=C(C1CCOCC1)N1CCC[C@]2(CCc3c(O)nc(N4CCOCC4)nc32)C1 1857695676 UFBHHZVIXFZMOC-NRFANRHFSA-N 402.495 1.252 0 50 HDAA CS(=O)(=O)N(CC(=O)N1C[C@@H](O)[C@H](Cc2ccncc2)C1)c1cccc(F)c1 1857732798 HLVGJFTUNGGWRD-CRAIPNDOSA-N 407.467 1.049 0 50 HDAA COC[C@](C)(CNc1ncnc2nc(N(C)C)sc12)N1CCN(C(C)C)CC1 1875341594 ZHIIJJOJVCGPKZ-IBGZPJMESA-N 407.588 1.995 0 50 HDAA CCCCN1CCCC[C@H]1CN1CCC(=O)N(Cc2nnnn2CC2CC2)C1=O 1875387767 WMQXPMDDIYQKGE-KRWDZBQOSA-N 403.531 1.892 0 50 HDAA Cc1ccc(S(C)(=O)=O)c(NC(=O)C(=O)N2CCC(c3cnn(C)c3)CC2)c1 2325734968 WVPBNXXUXQKVAR-UHFFFAOYSA-N 404.492 1.477 0 50 HDAA C[C@H](C(=O)N[C@@H]1c2ccccc2C[C@H]1NC(=O)Cc1cc(O)nc(O)n1)c1ccco1 2325850921 LAIJAPRPDVUSRU-BXJCWQANSA-N 422.441 1.725 0 50 HDAA O=C1CC[C@H](N2Cc3ccc(CNC(=O)c4cc[nH]c4C4CC4)cc3C2=O)C(=O)N1 2325896166 SFMGVQUAHDAFDJ-KRWDZBQOSA-N 406.442 1.583 0 50 HDAA CCOC(=O)[C@H]1CCCN(S(=O)(=O)c2cc(OCC(N)=O)c(C)cc2Cl)C1 1108605 HLDARMVZLWJPJI-LBPRGKRZSA-N 418.899 1.476 0 50 HDAA O=C(CCN1C(=O)c2ccccc2C1=O)Nc1ccccc1C(=O)N1CCOCC1 1211791 QIRICQCCKRVMNC-UHFFFAOYSA-N 407.426 1.784 0 50 HDAA COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1 6702989 ICBWVHNUPREKTF-CYBMUJFWSA-N 402.900 1.608 0 50 HDAA COc1cccc(CNC(=O)CC[C@H]2CCCN(C(=O)CCn3cnnn3)C2)c1 12576517 DRJKZMSPURRYQI-MRXNPFEDSA-N 400.483 1.407 0 50 HDAA CCOC(=O)C1CCN(C(=O)C[C@H]2C(=O)NCCN2Cc2ccc(F)cc2)CC1 14980982 VXFOOEFOVJHUCT-SFHVURJKSA-N 405.470 1.318 0 50 HDAA Cc1ccc(F)cc1S(=O)(=O)N1CCN(c2cc(-n3ccnc3C)ncn2)CC1 67622138 WKFKIMFSSNZPSZ-UHFFFAOYSA-N 416.482 1.929 0 50 HDAA Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C(=O)O)CC2)c1 136302554 UTLUUMFZLMVQSL-RNIPGJKVSA-N 420.531 1.883 0 50 HDAA CN(Cc1nnc(S(C)(=O)=O)s1)[C@H]1CCN(c2ccccc2Cl)C1=O 225574077 UHVVKZXFNWSJTG-LBPRGKRZSA-N 400.913 1.832 0 50 HDAA COc1ccccc1Cc1nn2c([C@@H]3CCCN(S(C)(=O)=O)C3)nnc2s1 951726884 NGUJRUWMSXEJGD-CYBMUJFWSA-N 407.521 1.924 0 50 HDAA Cc1ccccc1[C@@H]1[C@@H](C(=O)N2CCN(C)C3(CCOCC3)C2)OCC(=O)N1C 2100540060 BMNPNBOFOKFSBW-UXHICEINSA-N 401.507 1.217 0 50 HDAA CCn1cc(CC(=O)NS(=O)(=O)Cc2ccc(Br)cc2Cl)nn1 2325841323 OPEQHHFPQCABRY-UHFFFAOYSA-N 421.704 1.903 0 50 HDAA NC(=O)c1cccc(N2CCC(c3nc(-c4cc5c(nc4O)CCNC5)no3)CC2)n1 2325849836 BRCWTSWEHWTBRU-UHFFFAOYSA-N 421.461 1.361 0 50 HDAA CS(=O)(=O)NC1CCN(C(=O)c2cc3c(s2)CCOC32CCNCC2)CC1 2356153359 CPKGZMDJHDETBY-UHFFFAOYSA-N 413.565 1.053 0 50 HDAA COc1ccc2c(c1)CCOC21CCN(C(=O)NC[C@@H]2CCS(=O)(=O)C2)CC1 2356154308 QDFVWENWJDYIOW-HNNXBMFYSA-N 408.520 1.703 0 50 HDAA CCN1CCN(C2(C(=O)NCCc3nc(C)cc(C)n3)Cc3ccccc3C2)CC1 22925955 QIFMOMOFIAKSDF-UHFFFAOYSA-N 407.562 1.927 0 50 HDAA CCOC(OCC)[C@](CO)(OCc1ccc(OC)cc1)[C@H](O)[C@H]1COC(C)(C)O1 43763160 JRAMLJSOTOEBPE-DBXWQHBBSA-N 414.495 1.854 0 50 HDAA CCCCN1C(=O)[C@@H]2[C@H](CCC(=O)O)N[C@]3(C(=O)Nc4c(CC)cccc43)[C@H]2C1=O 252008976 QUGPOYXXQXXDKD-XOTWJMMUSA-N 413.474 1.634 0 50 HDAA O=C(NCC(=O)N1CCN(c2ccccc2)CC1)N[C@H]1CCc2cc(O)ccc2C1 683549485 IMSLDVDUIJGZTC-IBGZPJMESA-N 408.502 1.898 0 50 HDAA Cc1ccc([C@]2(C)NC(=O)N(CC(=O)N3CCOCC4(CCOCC4)C3)C2=O)cc1 784752878 DNNWXRDCWXGSOO-NRFANRHFSA-N 415.490 1.418 0 50 HDAA O=C1Cn2cnc3c2[C@@H](c2cccc(c2)OCCCN1)N(C(=O)c1ccncc1)CC3 1775984179 JADZARCTYPMHLN-OAQYLSRUSA-N 417.469 1.965 0 50 HDAA CCOc1ccc2nc(N3C[C@@H](C(=O)NCCCc4nn[nH]n4)CC3=O)sc2c1 1857732879 LEZULHGDOXNIGO-NSHDSACASA-N 415.479 1.310 0 50 HDAA CC(C)(C)C(=O)CCc1cn(-c2ccc3c(c2)CN([C@H]2CCC(=O)NC2=O)C3=O)nn1 1875355540 MLWAQGCNLHIUNW-KRWDZBQOSA-N 423.473 1.576 0 50 HDAA O=C(NC[C@H](O)c1ccccn1)c1cccc(C(=O)NC[C@@H](O)c2ccccn2)c1 2325723708 KUVXAYDMBDFNHK-BGYRXZFFSA-N 406.442 1.403 0 50 HDAA COc1ccc(S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)cc1C(N)=O 6715937 YAIADQYQDCCIOQ-UHFFFAOYSA-N 403.504 1.922 0 50 HDAA CCN(CC)C[C@@H](O)COc1ccc(CNCCSc2cnn[nH]2)cc1OC 12303066 BCELKKXLIHUEOT-MRXNPFEDSA-N 409.556 1.777 0 50 HDAA CCN1CCN(C[C@@H](O)COc2ccc(CN3CCSCC3)cc2OC)CC1 19741934 LXPUGFMBTSKONA-LJQANCHMSA-N 409.596 1.621 0 50 HDAA O=C(c1cn(CCN2CCOCC2)nn1)N1CCC(c2nc3ccccc3o2)CC1 20781641 OAZKAXMDAWVUBB-UHFFFAOYSA-N 410.478 1.771 0 50 HDAA COCCn1c(CN(C)C[C@@H](O)c2ccccc2)cnc1S(=O)(=O)CC1CC1 20995840 ATDKSRQUIVJBCC-LJQANCHMSA-N 407.536 1.879 0 50 HDAA COc1cccc(CN(C)Cc2cc(C)[nH]n2)c1OC[C@@H](O)CN1CCOCC1 39445306 ADIPPZXZJLRTEK-IBGZPJMESA-N 404.511 1.431 0 50 HDAA CCN1CCNC(=O)[C@@H]1CC(=O)Nc1nnc(CCOc2ccc(C)cc2)s1 55308858 FHFYUOLBGYXJLC-HNNXBMFYSA-N 403.508 1.617 0 50 HDAA O=S(=O)(c1ccc(F)c(F)c1)N1CCN(c2cc(-n3ccnc3)ncn2)CC1 67630252 OUEFMKXPJZPVJI-UHFFFAOYSA-N 406.418 1.451 0 50 HDAA Cc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)cc1N1CCCC1=O 72436990 HXRVZMBSOBHVLZ-OAHLLOKOSA-N 408.524 1.579 0 50 HDAA COC(=O)C[C@@H](c1cnn(C)c1)c1c(O)n2cc(Br)ccc2nc1=O 206053737 CPSZSZPWUCLPBI-NSHDSACASA-N 407.224 1.591 0 50 HDAA C[C@H](C(=O)O)N1C(=O)[C@H]2[C@@H]3C[C@@H]([C@H]4[C@@H]3N4c3ccc(Br)cc3)[C@H]2C1=O 244873615 WSZGIAKPYDEOHT-XGGWAZPGSA-N 405.248 1.730 0 50 HDAA COc1ccc2[nH]c(=O)c(-c3nccn3CCCN3CCC[C@H](C(N)=O)C3)cc2c1 1857704354 OTJCHPPYMDTSSR-HNNXBMFYSA-N 409.490 1.988 0 50 HDAA Cc1nc(C)c(C(=O)N2CCO[C@@H](CN3CCCN(C)CC3)[C@@H]2c2cnn(C)c2)o1 1857722642 LGGXBLJBMDGDEC-OALUTQOASA-N 416.526 1.245 0 50 HDAA Cn1cncc1-c1nccn1C[C@H]1CN(CC2CCN(CC3CC3)CC2)C(=O)CO1 1875245521 CXZVKNKYIOMBMO-IBGZPJMESA-N 412.538 1.633 0 50 HDAA O=C1CC[C@H](N2Cc3cc(-n4cc(CCCCCCO)nn4)ccc3C2=O)C(=O)N1 1875357038 YPSHFPJTXRERBS-SFHVURJKSA-N 411.462 1.124 0 50 HDAA Cn1cncc1C(=O)NCc1cc(CNS(=O)(=O)c2ccccc2F)ccn1 2100482678 QQFDCFSDCIGSCU-UHFFFAOYSA-N 403.439 1.363 0 50 HDAA O=C(N[C@@H]1Cc2ccccc2[C@H]1NC(=O)[C@@]1(O)CCOC1)c1cc(C(F)F)no1 2325860725 QXZJJJYGXFYIPO-KPAZRMRSSA-N 407.373 1.276 0 50 HDAA NCCc1ccc(NC(=O)c2ccc3c(c2)CN([C@@H]2CCC(=O)NC2=O)C3=O)cc1 2325895466 AWRXMOFLHFBSMA-GOSISDBHSA-N 406.442 1.201 0 50 HDAA NS(=O)(=O)c1ccc(-n2c(Cn3ncc4ccccc4c3=O)n[nH]c2=S)cc1 9111450 IBMLYCNDTBZMQN-UHFFFAOYSA-N 414.472 1.335 0 50 HDAA C[C@H](C1CCN(C(=O)Cn2nnnc2CN2CCCCCC2)CC1)N1CCOCC1 23339139 JHBUYDNUXXMFFH-GOSISDBHSA-N 419.574 1.008 0 50 HDAA CC(C)NC(=O)CN1CCN(C(=O)c2cn(Cc3ccccc3Cl)nn2)CC1 39413490 OENUYEBKHHDMFW-UHFFFAOYSA-N 404.902 1.262 0 50 HDAA CC[C@H](NC(=O)C1CCN(S(=O)(=O)N(C)C)CC1)c1ccc(OC)c(OC)c1 67630121 WHZYXZRHAKFBJD-INIZCTEOSA-N 413.540 1.790 0 50 HDAA COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)c1ccc(F)cc1F)CC2 95530969 MFRDCJUZCPAJLF-UHFFFAOYSA-N 404.417 1.851 0 50 HDAA CC(C)n1[nH]cc/c1=N\C(=O)[C@H](C)OC(=O)CN1C(=O)N[C@@]2(CCCC[C@@H]2C)C1=O 229425073 ZGXDCVVMPTYTAI-MBTQEPBTSA-N 419.482 1.257 0 50 HDAA CS(=O)(=O)Nc1ccc(CC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)O)cc1 252488349 IPXWPUAVXDMELA-GOSISDBHSA-N 415.471 1.894 0 50 HDAA CC[C@H](C)[C@@H](CO)NC(=O)C[C@H]1N=C(O)N(Cc2ccc(OC)c(OC)c2)C1=O 252540597 PQARNEBKHVQVBW-NWANDNLSSA-N 407.467 1.242 0 50 HDAA O=C(N[C@@H]1C2CN3CCN(C2)CC1(c1ccccc1)C3)c1nnc(O)c2ccccc12 828209786 ADGSTCLENUYXKR-BFDGSKQISA-N 415.497 1.633 0 50 HDAA CSCC(=O)N1C[C@H]2CN(C(=O)Cc3csc(C)n3)C[C@@]2(CCC(=O)O)C1 1772808826 CECFNAUYOSIIER-ACJLOTCBSA-N 411.549 1.509 0 50 HDAA Cn1c2c(c(=O)n(C)c1=O)C[C@@H](CC(=O)Nc1cccc(Cl)c1Cl)C(=O)N2 1848442966 QDZXRMXHKDLHRB-QMMMGPOBSA-N 411.245 1.530 0 50 HDAA CN(CC(=O)N1CCO[C@@H](CN2CCOCC2)[C@@H]1c1cccnc1)C1CCCC1 1857738919 DWRQKFXZEPAYRR-UNMCSNQZSA-N 402.539 1.557 0 50 HDAA Nc1ccc(F)cc1-c1cn(-c2ccc3c(c2)CN([C@H]2CCC(=O)NC2=O)C3=O)nn1 1875356399 UYKRPWKGGQKSPQ-SFHVURJKSA-N 420.404 1.417 0 50 HDAA CC(C)(C)c1nccc(=NCc2ccc3c(c2)C(=O)N([C@@H]2CCC(=O)NC2=O)C3)[nH]1 2325897611 AMGHXLSPXOQTAW-MRXNPFEDSA-N 407.474 1.569 0 50 HDAA CN(C)CCOc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1cccc2ccccc12 796304 GABSCZFWNGPNJF-UHFFFAOYSA-N 407.474 1.576 0 50 HDAA COc1ccccc1N1CCN(CCCNc2c(C)c(=O)n(C)c(=O)n2C)CC1 2012436 HIHZDNKKIUQQSC-UHFFFAOYSA-N 401.511 1.025 0 50 HDAA biogenic,in-vitro O=S(=O)(c1ccccc1F)N1CCN(S(=O)(=O)c2ccccc2F)CC1 2838179 ZJKCXRKHDFWSHY-UHFFFAOYSA-N 402.444 1.660 0 50 HDAA CC(=O)Nc1nnc(S[C@@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)s1 2882167 NVWJGGNOWDTJBJ-ZETCQYMHSA-N 401.495 1.263 0 50 HDAA O=C(C[C@H]1C(=O)NCCN1CCCc1ccccc1)NCCCOc1cccnc1 11665204 AYZSFGLGIAHFAK-NRFANRHFSA-N 410.518 1.790 0 50 HDAA CCNC(=O)c1cn(CC(C)C)cc(C(=O)N2CCN(c3ccccc3)C(=O)C2)c1=O 12217941 XFGTUXWEDXCUIS-UHFFFAOYSA-N 424.501 1.743 0 50 HDAA COc1ccc(C[C@@H]2NC(=O)[C@@H]3C[C@H](NCc4ccc(C)c(F)c4)CN3C2=O)cc1 14531921 XEZUAYBZFGVDCI-YYWHXJBOSA-N 411.477 1.943 0 50 HDAA CCN(CC)C[C@@H](O)COc1cc(CNCCCN2CCCC2=O)ccc1OC 15069828 MSJKVNYYBULSIF-LJQANCHMSA-N 407.555 1.879 0 50 HDAA Cc1c[nH]c(CN(C)C(=O)[C@@H]2[C@@H]3C=C[C@@]4(CN(Cc5ccc(F)cc5)C(=O)[C@@H]24)O3)n1 77390512 NTCDVWSTWZKJSU-VGYLUTEMSA-N 410.449 1.798 0 50 HDAA Cc1ccc(N2C[C@]34C=C[C@H](O3)[C@H](C(=O)N(C)Cc3nccn3C)[C@H]4C2=O)cc1C 77488787 DCPFKDNOVMLHOI-UDSSINMLSA-N 406.486 1.982 0 50 HDAA Cn1cnc(S(=O)(=O)N2CCC[C@@H](CNC(=O)c3cc4ccccc4[nH]3)C2)c1 95530494 XJSSFDSCJABMRN-AWEZNQCLSA-N 401.492 1.732 0 50 HDAA C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1S(=O)(=O)C1=Cc2ccccc2OC1 170608171 AFWKXJJBPSITKJ-LBPRGKRZSA-N 406.485 1.848 0 50 HDAA Cn1c(=O)c2c(nc(Oc3ccccc3)n2C[C@H](O)COc2ccccc2)n(C)c1=O 170624368 FMEUORFDHDHEHD-HNNXBMFYSA-N 422.441 1.666 0 50 HDAA C[C@]12CC[C@@H]3[C@H](CC[C@@]4(O)C[C@@H](O)CC[C@]34CO)[C@@]1(O)CC[C@H]2C1=CC(=O)OC1 253498028 ZNDMLUUNNNHNKC-QCGJWGEISA-N 406.519 1.692 0 50 HDAA Cc1cc(N2CCN(C(=O)C3=NN(C)C(=O)CC3)CC2)nc(-c2ccccc2O)n1 952869559 JNTDWQQJFVLVFA-UHFFFAOYSA-N 408.462 1.414 0 50 HDAA O=C(CCC(=O)N1CCC2(CC1)Nc1ccccc1NC2=O)Nc1nncs1 952988669 PPABQYLCTSMMOT-UHFFFAOYSA-N 400.464 1.682 0 50 HDAA O=C([C@@H]1CCCCN1C(=O)c1ccc(O)nn1)N1CC[C@@]2(C1)C(=O)Nc1ccccc12 1255296442 MAFSAVNKGLFAPF-JTSKRJEESA-N 421.457 1.299 0 50 HDAA Cc1ccc(NC2(C(=O)NC[C@@H]3CN(S(C)(=O)=O)CCO3)CCCCC2)cc1 1506402613 ZIYIGGQGPVDFBN-GOSISDBHSA-N 409.552 1.886 0 50 HDAA CCc1nc(CN2CCCC(=O)NCCOc3ccc(C)cc3C(=O)NCC2)n[nH]1 1857709202 KSLKOVDYIOBXTO-UHFFFAOYSA-N 414.510 1.196 0 50 HDAA Cc1ncn(C)c1C(=O)N1CCC2(CCc3c(O)nc(N4CCOCC4)nc32)CC1 1857735254 AMNRWFRBZGBSGX-UHFFFAOYSA-N 412.494 1.181 0 50 HDAA CN(C)C(=O)NCC(=O)N1CCC2(CCc3c(O)nc(-c4cccnc4)nc32)CC1 1940195045 BAXJELKNHBKBBF-UHFFFAOYSA-N 410.478 1.322 0 50 HDAA CC(=O)NC[C@@H]1[C@@H](c2ccccc2)[C@]12CN(Cc1nc(C(F)(F)F)no1)C[C@@H]2O 2100543539 UKTATWJROKHEDO-CXHZTBPHSA-N 410.396 1.801 0 50 HDAA Cc1cc(C(=O)NC[C@@H]2[C@@H](c3ccccc3)[C@]23CN(c2cnccn2)C[C@@H]3O)on1 2100544828 KYTHHSNBQYRXID-HOQQESESSA-N 405.458 1.784 0 50 HDAA COc1cccc(NC(=O)CNC(=O)Cn2cnc3sc(C)c(C)c3c2=O)c1 6948039 XLHYOFXHRLUNJO-UHFFFAOYSA-N 400.460 1.838 0 50 HDAA COC(=O)C1CCN(C[C@H](O)COc2cccc(CNC3CCOCC3)c2)CC1 12582622 CPXJKKWQLQICEV-FQEVSTJZSA-N 406.523 1.580 0 50 HDAA Cc1cccc(CN2CCN3C(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H]3C2)n1 14732496 MKGSFFVXSIXREZ-LEWJYISDSA-N 403.486 1.625 0 50 HDAA CC(=O)c1ccc(N2CCN(C(=O)C[C@H]3C(=O)NCCN3Cc3ccoc3)CC2)cc1 15074799 FKGFUBCCQLCTBT-NRFANRHFSA-N 424.501 1.522 0 50 HDAA Cn1ccnc1SCCNCc1cccc(OC[C@@H](O)CN2CCOCC2)c1 19334388 OFKFPQRPDNVRKI-SFHVURJKSA-N 406.552 1.374 0 50 HDAA O=C(CCCn1nnnc1CN1CCOCC1)N1CCC[C@@H]1c1ccc(F)cc1 20210547 MBIPWYPNOQJHLS-GOSISDBHSA-N 402.474 1.788 0 50 HDAA CCN1CCN(C(=O)[C@H]2CCCN(C3CCN(Cc4cccnc4)CC3)C2)CC1=O 82116090 HFVRKXYJIVAGQU-FQEVSTJZSA-N 413.566 1.449 0 50 HDAA CS(=O)(=O)CC[C@@H]1NC(=O)N(CC2(c3ccccc3Br)CC2)C1=O 170592651 MGBNPPZWYOYTOZ-ZDUSSCGKSA-N 415.309 1.836 0 50 HDAA CCOCCN1CCN(c2cc(N3CCN(CCOCC)[C@@H](C)C3)ncn2)C[C@@H]1C 221967184 CGPBELXXEAEBJR-PMACEKPBSA-N 420.602 1.571 0 50 HDAA Cc1cccc(CN2CCN(C(=O)CC[C@@]3(CCC(=O)O)CCC(=O)N3)CC2)c1 223678888 PEKKCCJUWKSJTK-JOCHJYFZSA-N 401.507 1.933 0 50 HDAA COc1ccc(N2C(=O)NC(=O)[C@]3(Cc4ccccc4N4CCOC[C@H]43)C2=O)cc1 248156751 ZLYAYEXGIWYEGH-PGRDOPGGSA-N 407.426 1.726 0 50 HDAA Cc1ccc(CCNC(=O)C2CCN(C(=O)c3nnn4cc(C)nc(O)c34)CC2)cc1 263619191 XKDZGKQOTOSWMH-UHFFFAOYSA-N 422.489 1.658 0 50 HDAA CN(CC(=O)NC1CCN(S(=O)(=O)c2ccccc2)CC1)Cc1cccnc1 952972842 UUDCZSPHLKRHRO-UHFFFAOYSA-N 402.520 1.483 0 50 HDAA Cc1c(NC(=O)C[C@@H]2C(=O)N(C)C(=O)N2C)cccc1C(=O)Nc1nccs1 952982544 AUSCGRFWHJUNOI-CYBMUJFWSA-N 401.448 1.925 0 50 HDAA CN1C[C@H](NC(=O)c2ccccc2N2CCOCC2)c2sccc2S1(=O)=O 952984969 PGBUJSMEKSLAOT-AWEZNQCLSA-N 407.517 1.690 0 50 HDAA C[C@@H](Oc1ccccc1)C(=O)N1CCCN(C(=O)CSc2nc(N)n[nH]2)CC1 1529110309 LUDCGVJADQAFRP-CYBMUJFWSA-N 404.496 1.007 0 50 HDAA C=CC(=O)N1CCC(C(=O)N2CCN(C(=O)COc3cc(C)cc(C)c3)CC2)CC1 1875370391 NGSCXBYQTIFPSD-UHFFFAOYSA-N 413.518 1.778 0 50 HDAA COc1ccc([C@@H]2[C@@H](c3nc(CC(N)=O)nn3C(C)C)OCC(=O)N2C2CC2)cc1 2100482339 RUZZXAYMLPDAMI-UXHICEINSA-N 413.478 1.699 0 50 HDAA COc1cccc(CCNC(=O)C[C@@H]2C(=O)NCCN2Cc2ccccc2OC)c1 11878295 OKANJVYKYLIBGD-HXUWFJFHSA-N 411.502 1.753 0 50 HDAA CCN1C(=O)C[C@H](C(=O)OC)C12CCN(C(=O)c1ccc3c(c1)OCCO3)CC2 12041901 AKSPJKWHSXQDNB-OAHLLOKOSA-N 402.447 1.474 0 50 HDAA CC1CCN(Cc2nnnn2CC(=O)N[C@@H](C)c2cnn(-c3ccccc3)c2)CC1 12203670 SRXUERFKDFSXGA-KRWDZBQOSA-N 408.510 1.968 0 50 HDAA CN(C)CCNC(=O)c1cn(C2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)nn1 12279275 RKMHXJCXRCLGOI-UHFFFAOYSA-N 418.929 1.629 0 50 HDAA O=C1N[C@@H](Cc2ccc(O)cc2)C(=O)N2C[C@@H](NCc3ccc(F)c(F)c3)C[C@@H]12 14733445 SWUNDJRNGIMPKB-JVPBZIDWSA-N 401.413 1.471 0 50 HDAA O=C(c1cnccn1)N1CCC[C@@H](N2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 19770201 UIFBPPBFKHZWSQ-GOSISDBHSA-N 409.490 1.628 0 50 HDAA O=C(CCCn1nnnc1CN1CCOCC1)N[C@@H](c1cccnc1)C(F)(F)F 20211662 AVOBVVBYVNXJQF-INIZCTEOSA-N 413.404 1.100 0 50 HDAA COc1ccc(O[C@@H]2O[C@@H]3CO[C@H](c4ccccc4)O[C@@H]3[C@H](O)[C@H]2NC(C)=O)cc1 245380148 SDSYBZDALLFMBU-YGBDOONVSA-N 415.442 1.779 0 50 HDAA Cc1cc(C)n(CC(=O)NC[C@H]2CCCN(Cc3c(CO)cnc(C)c3O)C2)n1 828832773 NMGPLWPCFRKIDM-QGZVFWFLSA-N 401.511 1.430 0 50 HDAA CN1CCC[C@H]1C(=O)N1CCCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 1775981807 WUXUBZBRGVIFME-INIZCTEOSA-N 403.907 1.796 0 50 HDAA CN(C)CCNC(=O)C[C@H](c1ccc2c(c1)OCO2)c1c(O)n2ccccc2nc1=O 1857526938 SFLLHHWAECTXAI-OAHLLOKOSA-N 424.457 1.329 0 50 HDAA CCc1nc(-c2ncccn2)sc1C(=O)N1CCC[C@H]1C(=O)N1CCOCC1 1857709586 HAWBSFNITRLPNG-AWEZNQCLSA-N 401.492 1.626 0 50 HDAA O=C1CO[C@H](C(=O)N2CCN(c3cnccn3)CC2)[C@@H](c2ccccc2Cl)N1 2100555636 ZQXJCMWVRQUWNL-MSOLQXFVSA-N 401.854 1.035 0 50 HDAA O=C1N[C@H](c2ccc(C(=O)O)cc2)[C@H](C(=O)c2cccnc2)[C@@](O)(C(F)(F)F)N1 4269948 STPNFWCLOASSPC-PBFPGSCMSA-N 409.320 1.884 0 50 HDAA CCOC(=O)N1CCN(C(=S)Nc2cc(C(=O)OC)cc(C(=O)OC)c2)CC1 4702306 DXSKVTNTPDHCMW-UHFFFAOYSA-N 409.464 1.731 0 50 HDAA CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O 4760596 RJPCSDQRGLGIPH-OALUTQOASA-N 413.474 1.856 0 50 HDAA CCOC(=O)c1noc2ncn(CC(=O)Nc3cc(Cl)ccc3OC)c(=O)c12 8611023 NCMMGZAQINVBBW-UHFFFAOYSA-N 406.782 1.862 0 50 HDAA CCOC(=O)C1=C(C)N=c2s/c(=C/c3cnn(C)c3C)c(=O)n2[C@@H]1c1ccccc1 9970850 SYSLQNXGCIJITR-GTENMVSRSA-N 422.510 1.840 0 50 HDAA Cn1c(=O)n(C)c2cc(CNC(=O)[C@@H]3CCC(=O)N(CCc4ccccn4)C3)ccc21 12203393 MPIQUQCTJOCPID-QGZVFWFLSA-N 421.501 1.370 0 50 HDAA COCCN(C[C@H]1CCCN(C2Cc3ccccc3C2)C1)C(=O)CCNC(C)=O 12575084 GZBBBZMBBJLHAP-IBGZPJMESA-N 401.551 1.867 0 50 HDAA Cc1nnc(CN(C)C(=O)[C@@H]2[C@@H]3C=C[C@@]4(CN(Cc5ccc(C)c(C)c5)C(=O)[C@@H]24)O3)o1 77318928 PSKQIWLJMFZOGR-CLWLKPMESA-N 422.485 1.935 0 50 HDAA Cc1cn2nc(C(=O)N3CCC(NC(=O)[C@@H](C)c4ccccc4)CC3)cc2c(=O)[nH]1 169776996 KDSRIHQWVVAGQJ-HNNXBMFYSA-N 407.474 1.856 0 50 HDAA COCCOCCC(=O)N[C@H]1CCN([C@@H](C(=O)OC(C)(C)C)c2ccccc2)C1=O 170608631 YSSZIZYYMOPPKW-PKOBYXMFSA-N 420.506 1.840 0 50 HDAA COc1ccc(N2C(=O)[C@@H](CC(=O)NC[C@H]3COc4ccccc4O3)N=C2O)cc1 252494643 OASIUDWYGIMCMJ-JKSUJKDBSA-N 411.414 1.671 0 50 HDAA O=C(Nc1ccc(OCC(=O)N2CCOCC2)cc1)[C@H](c1ccccc1)n1cnnn1 827968238 DQAGMUQLXUTHTM-FQEVSTJZSA-N 422.445 1.139 0 50 HDAA COc1ccc(CCN(Cc2ccncc2)C(=O)C(=O)N2CCOCC2)cc1OC 1506396926 IECQQCKFXIQAKR-UHFFFAOYSA-N 413.474 1.529 0 50 HDAA CC(C)CCN1C[C@H]2CN(S(=O)(=O)c3ccc4c(c3)oc(=O)n4C)C[C@]2(CO)C1 1772806023 XETPKCFSWPXCME-YWZLYKJASA-N 423.535 1.092 0 50 HDAA CO[C@@H]1CC[C@H](C(=O)NCc2cc[nH]n2)C[C@H]1NS(=O)(=O)c1ccc(F)cc1 1857687907 LDPWYKKYOBFSSW-JCURWCKSSA-N 410.471 1.327 0 50 HDAA COCCn1nnc([C@H]2CN(C3CCN(CCc4ccccc4)CC3)CCO2)n1 1857722718 LUAUQWLDVVPZII-HXUWFJFHSA-N 400.527 1.400 0 50 HDAA Cc1c(C(=O)N2C[C@@H](O)[C@]3(C2)[C@H](c2ccccc2)[C@H]3CO)cnn1-c1ccccn1 1857723909 BXAQVPKACSQNJE-LUBSMZHTSA-N 404.470 1.785 0 50 HDAA CSc1ccc(S(=O)(=O)N2CCO[C@@H](CN(C)C)[C@@H]2c2cnn(C)c2)cc1 1857723954 DVXKYNLUEPFESN-ROUUACIJSA-N 410.565 1.834 0 50 HDAA O=C1NC(=O)[C@@]2(CCCCC[C@@H]2NC(=O)c2ccc(S(=O)(=O)C3CCC3)cc2)N1 1875328934 SVYVYVTUDNSDRV-JXFKEZNVSA-N 419.503 1.654 0 50 HDAA O=C(NCCCc1cn(-c2cccc(F)c2F)nn1)C(F)(F)C1(O)CCOCC1 2325851213 RYYCSQRSSMQDJU-UHFFFAOYSA-N 416.375 1.771 0 50 HDAA Cn1cnnc1SCC(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 2754421 VLIMHLBATYKDCJ-UHFFFAOYSA-N 410.506 1.803 0 50 HDAA COCCNC(=O)c1cn(C2CCN(Cc3ccc(OC)c(OC)c3)CC2)nn1 11839147 FTDAJMAEOCCVPU-UHFFFAOYSA-N 403.483 1.509 0 50 HDAA CCOc1cc(CN2CCC[C@H](n3cc(C(=O)NCCCO)nn3)C2)ccc1OC 14993172 GWJPNBLSGFEPBL-KRWDZBQOSA-N 417.510 1.635 0 50 HDAA Cc1ccc(S(=O)(=O)N2CCN(c3cc(N4CCOCC4)nc(C)n3)CC2)cc1 15671298 XBJINNSGPISJNH-UHFFFAOYSA-N 417.535 1.441 0 50 HDAA Cn1c(CCC(=O)N2CCCOCC2)nc2cc(S(=O)(=O)N3CCCC3)ccc21 77503707 KOYLSFXYNVLUNZ-UHFFFAOYSA-N 420.535 1.539 0 50 HDAA O=C(Cc1cccc(F)c1)NC[C@H]1CN(C2CCN(C3CCC3)CC2)C(=O)CO1 299763296 YXSTWZQCEKVWFT-FQEVSTJZSA-N 403.498 1.729 0 50 HDAA O=C(COc1ccccc1)NC[C@H]1CN(C2CCN(C3CCC3)CC2)C(=O)CO1 299793500 HJSDFMNTGBUMKW-FQEVSTJZSA-N 401.507 1.426 0 50 HDAA Cc1nc(C)c(C(=O)Nc2cccc(S(=O)(=O)N3C[C@@H]4C[C@H]5C[C@H]4[C@H]3[C@H]5O)c2)o1 408521029 FXNKPYYGUHIJPK-JQJKNKOQSA-N 417.487 1.934 0 50 HDAA CC(C)[C@@H](CNS(=O)(=O)c1ccc(NS(=O)(=O)N(C)C)cc1)N1CCCC1 820696230 CMJROKIYEOOWLU-QGZVFWFLSA-N 418.585 1.304 0 50 HDAA O=C(Cn1nc2ccccc2n1)NCC1CCN(Cc2cnn3cccnc23)CC1 827864413 MKIHQOUNTODZQF-UHFFFAOYSA-N 404.478 1.502 0 50 HDAA CNC(=O)c1cc(S(=O)(=O)N2CCC[C@]3(CCC(=O)N(C)C3)C2)ccc1OC 952860707 SLMJQMFFIPKVOR-LJQANCHMSA-N 409.508 1.078 0 50 HDAA CCOCCC(=O)N1C[C@@H]2CN(Cc3cc4c(cc3Cl)OCO4)C[C@@]2(CO)C1 1772706073 LQUVIRDFKCCTEW-YWZLYKJASA-N 410.898 1.748 0 50 HDAA COc1ccccc1C(=O)N1C[C@@H]2CN(S(=O)(=O)c3ccccc3)C[C@@]2(CO)C1 1772812849 RPMWWWWQWVDBTO-IIBYNOLFSA-N 416.499 1.450 0 50 HDAA Cc1cc(CC(=O)N2C[C@@H]3CN(C(=O)c4cnn(-c5ccccn5)c4C)CC[C@@H]32)on1 1775980599 DWEQJEWMRQNMIU-LPHOPBHVSA-N 420.473 1.788 0 50 HDAA O=C(c1ccc2c(=O)n(-c3ccccc3)c(O)nc2c1)N1CC(Nc2ccncn2)C1 1875352165 VYBCVBLZOUVSOT-UHFFFAOYSA-N 414.425 1.818 0 50 HDAA O=C(COc1ccc(I)cc1)NN1C(=O)c2ccccc2C1=O 1075101 DQBOIDPZZMQZLY-UHFFFAOYSA-N 422.178 1.997 0 50 HDAA O=C(O)[C@H](NS(=O)(=O)c1ccc(Br)cc1)[C@H](O)c1ccccc1 5009975 QIFVJBIKOKRULH-ZIAGYGMSSA-N 400.250 1.914 0 50 HDAA CCN(CC)C(=O)[C@H]1CCCN(C(=O)Cn2nnnc2CN2CCCCCC2)C1 11661352 AVDRYUCCHDIJLO-KRWDZBQOSA-N 405.547 1.156 0 50 HDAA COCCN(CC1CCN(Cc2ccccc2OC)CC1)C(=O)[C@H]1CNC(=O)C1 12583591 KMLNZFGWCBNSDC-LJQANCHMSA-N 403.523 1.518 0 50 HDAA CCOC(=O)c1nn(CCN(C)C)c2c1CN(Cc1ccc3c(c1)OCCO3)CC2 14539864 ANYRHJNLZFRBCL-UHFFFAOYSA-N 414.506 1.951 0 50 HDAA Cc1c(C(=O)N(C)[C@@H]2CCOC2)sc2ncnc(NCCN3CCOCC3)c12 14880158 PKCPOTNFRORJCJ-CQSZACIVSA-N 405.524 1.605 0 50 HDAA COc1cc(N2CCC(N3CCC[C@@H](C(=O)NCc4ccccn4)C3)CC2)ncn1 82147107 NIWDRYVSFDNCAX-QGZVFWFLSA-N 410.522 1.877 0 50 HDAA CC(C)n1[nH]cc/c1=N\C(=O)[C@H](C)OC(=O)CN1C(=O)N[C@@]2(CCCC[C@H]2C)C1=O 253393354 ZGXDCVVMPTYTAI-WSJQGLQASA-N 419.482 1.257 0 50 HDAA COc1ccc(-c2cc(F)cc3c2O[C@H](CNC(=O)CCC(=O)N(C)C)C3)nn1 299759722 MTGSWKOZWCERFG-AWEZNQCLSA-N 402.426 1.579 0 50 HDAA Cc1nncn1CCN1CCC(N2C[C@H](COc3ccc(F)cc3)OCC2=O)CC1 299799798 SOPJDSCBIHTBQY-HXUWFJFHSA-N 417.485 1.496 0 50 HDAA NC(=O)c1cn(CC(=O)N2CCN(C[C@@H](O)c3ccccc3)CC2)c2ccccc12 731812707 FKNGKLUKKKOPHR-OAQYLSRUSA-N 406.486 1.618 0 50 HDAA O=C1CCN(C(=O)C2=CCOCC2)CCN(c2nnc(C(F)(F)F)s2)CCN1 952880036 MNGHKVGRORMRLP-UHFFFAOYSA-N 419.429 1.059 0 50 HDAA CCOC(=O)[C@@H]1CCCN(c2ncnc3c2ncn3C[C@@H](CO)[C@H]2CCOC2)C1 1857533192 MCAHMQSGJCFOIF-PMPSAXMXSA-N 403.483 1.251 0 50 HDAA Cc1ocnc1C(=O)N1CCCNC(=O)c2cc(Cl)ccc2OCCNC(=O)C1 1857698206 IGVUZZSEUAIGRQ-UHFFFAOYSA-N 420.853 1.407 0 50 HDAA Cc1ccccc1C(=O)/C=c1/s/c(=C/c2ccc(-n3ccnc3)nc2)c(=O)n1C 1875264710 ORWTUCIABRVALR-NDCXBJOESA-N 402.479 1.828 0 50 HDAA N=c1[nH]c(O)ncc1N1CCN(C(=O)c2cc(=O)c3cc(Cl)ccc3o2)CC1 2325747761 YNLBHSCMUXZCAK-UHFFFAOYSA-N 401.810 1.317 0 50 HDAA COc1ccccc1N1CCN(C(=O)CN(c2ccccc2F)S(C)(=O)=O)CC1 656251 XTKOPGUVMOIGBW-UHFFFAOYSA-N 421.494 1.949 0 50 HDAA CCOC(=O)CCNC(=O)N1CCC[C@H](CNS(=O)(=O)c2cccs2)C1 12315759 NJHCTHFEVYMPGT-CYBMUJFWSA-N 403.526 1.401 0 50 HDAA CCOC(=O)CNC(=O)N1CCC[C@@H](CCC(=O)N(C)CCc2ccccn2)C1 12319507 DDHSBUULCVXPGN-KRWDZBQOSA-N 404.511 1.847 0 50 HDAA O=C1CN(C(=O)c2cnccn2)C[C@@H](OCc2ccccc2)CN1CC1CCOCC1 14543232 OATUXEZRDUDWAO-FQEVSTJZSA-N 424.501 1.773 0 50 HDAA COC(=O)CN(C)C(=O)C[C@H]1C(=O)NCCN1Cc1ccc(-c2ccccc2)cc1 15063480 WYNQIUCTIORQIJ-FQEVSTJZSA-N 409.486 1.676 0 50 HDAA Cc1ccc(OCC(=O)NCCNC(=O)c2nc(-c3ccc4c(c3)OCO4)no2)cc1 20367952 LZVXWBCQCBAEKB-UHFFFAOYSA-N 424.413 1.699 0 50 HDAA CC1(C)C(=O)NCCN1Cc1cnc(S(C)(=O)=O)n1CCCc1ccccc1 55342871 PBYCKQIGGCGXGV-UHFFFAOYSA-N 404.536 1.630 0 50 HDAA CC(C)c1ccc(N2C[C@]34C=C[C@H](O3)[C@H](C(=O)N3CCNC(=O)CC3)[C@H]4C2=O)cc1 77426765 QIMIJLXKHDAPTN-UDSSINMLSA-N 409.486 1.445 0 50 HDAA Cc1ccc(N2C[C@]34C=C[C@H](O3)[C@H](C(=O)N(C)Cc3nccn3C)[C@@H]4C2=O)cc1C 77488782 DCPFKDNOVMLHOI-YPIYEQTHSA-N 406.486 1.982 0 50 HDAA CC(C)=CCN1CCN(Cc2nnc(-c3cccnc3)o2)[C@H]2CS(=O)(=O)C[C@H]21 95524789 LYEKXUQQCHKGCM-SJORKVTESA-N 403.508 1.381 0 50 HDAA COC(=O)[C@@H]1N[C@H](C(=O)OC)[C@H](c2ccccc2)S(=O)(=O)[C@H]1c1ccccc1 216194125 DZZNYSWTPABICD-MHORFTMASA-N 403.456 1.570 0 50 HDAA CCN1CCN(CC(=O)NCc2noc(-c3cccc(Br)c3)n2)CC1 225740394 SEWYZRVGTJXBGP-UHFFFAOYSA-N 408.300 1.753 0 50 HDAA CC[C@@H](C)c1ccc(S(=O)(=O)N(CC)CC(=O)N[C@H]2CCS(=O)(=O)C2)cc1 245265786 IBCZXSNWJROFRI-ZBFHGGJFSA-N 416.565 1.514 0 50 HDAA COc1ccc(-c2noc(CN3CCN(C(=O)[C@@H]4CCc5cncn5C4)CC3)n2)cc1 328592603 NBBVFNZAYUOQLB-QGZVFWFLSA-N 422.489 1.849 0 50 HDAA Cc1ccc(S(=O)(=O)NCCCNC(=O)[C@@H]2CCCN(C3CCOCC3)C2)cc1 670433751 NTGWFRCWSKGJFL-GOSISDBHSA-N 423.579 1.671 0 50 HDAA COc1ccccc1-n1cc(CN2CCN(S(=O)(=O)N3CCCC3)CC2)cn1 824835089 FFEPGJNYGGELLU-UHFFFAOYSA-N 405.524 1.339 0 50 HDAA COc1ccccc1S(=O)(=O)N1C[C@H]2CN(CCc3ccccc3)C[C@@]2(CO)C1 1772804383 NUZUBCISHZDKGR-KNQAVFIVSA-N 416.543 1.853 0 50 HDAA CNS(=O)(=O)CC(=O)N1C[C@H]2CCC[C@]2(c2nc(Cc3ccccc3)no2)C1 1857532018 IMJYJSGJRLVWHX-BEFAXECRSA-N 404.492 1.090 0 50 HDAA CN1CCCN(C[C@@H]2OCCN(C(=O)CCC3(C)CC3)[C@H]2c2cnn(C)c2)CC1 1857720596 AWAIENAAWVTUQF-FPOVZHCZSA-N 403.571 1.906 0 50 HDAA O=C1C[C@H]2N(Cc3cccc(OCCCN4CCOCC4)c3)CC[C@]23OCCN13 1857730688 UUUGSTHAAQANHV-IRLDBZIGSA-N 401.507 1.321 0 50 HDAA CCN1C[C@@H](C(=O)N2CCCC[C@H](NC(=O)c3cc(N)ccc3F)C2)CCC1=O 2325863967 BGXQBSMKMXIZJA-HOCLYGCPSA-N 404.486 1.777 0 50 HDAA C=CC(=O)N1CCC[C@@H](C(=O)N2CCO[C@H](c3ccc(S(C)(=O)=O)cc3)C2)C1 2325889449 RCFSOBUSEVVOIR-AEFFLSMTSA-N 406.504 1.415 0 50 HDAA NC(=O)C1CCN(C(=O)CCc2ccc(S(=O)(=O)NC3CCCCC3)cc2)CC1 810080 QZRSFUYTMPSUOJ-UHFFFAOYSA-N 421.563 1.954 0 50 HDAA CN(CCn1ccnc1)C(=O)C[C@H]1C(=O)NCCN1Cc1ccc2ccccc2c1 11663518 YNUMUFVNZUGDHT-NRFANRHFSA-N 405.502 1.885 0 50 HDAA CC(C)[C@@H](NC(=O)c1ccccc1)c1nnc(SCC(=O)N2CCOCC2)n1C 12382031 DVQRNMXPLPFFGS-QGZVFWFLSA-N 417.535 1.893 0 50 HDAA CCOc1ccc(-c2nc3s/c(=C/c4ccc(OCC(N)=O)cc4)c(=O)n3n2)cc1 16732379 YWIJPQVVCZXMHE-GZTJUZNOSA-N 422.466 1.629 0 50 HDAA COC(=O)CCC(=O)N1CCC[C@H](N2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 23373274 ITYVOAHIZZRFBM-SFHVURJKSA-N 417.506 1.477 0 50 HDAA COc1cc(N(CC(=O)NCc2cccnc2)S(C)(=O)=O)c(OC)cc1Cl 65362663 PCEYEDJQPCDLIP-UHFFFAOYSA-N 413.883 1.835 0 50 HDAA COCCNC(=O)C1CCN(C(=O)c2ncn3c2CO[C@@H](c2ccccc2)C3)CC1 263616566 JLTJXKQIHRGIKJ-LJQANCHMSA-N 412.490 1.769 0 50 HDAA O=C1NC(=O)[C@]2(CCCN(S(=O)(=O)c3ccc(SC(F)(F)F)cc3)C2)N1 788712829 YGKWKDGNDRCMCL-CYBMUJFWSA-N 409.411 1.661 0 50 HDAA COCCN1C[C@@]2(CCCN(C(=O)c3cc(CC(C)C)nc(N)n3)C2)CCC1=O 1506417338 QARBUMDNOHKZGY-OAQYLSRUSA-N 403.527 1.749 0 50 HDAA Nc1cc(N2C[C@@H](O)[C@H](Cc3ccnc4ccccc34)C2)nc(N2CCOCC2)n1 1704308428 RDNTVQHYUVDYQR-VQIMIIECSA-N 406.490 1.483 0 50 HDAA COc1ccccc1-c1noc(CCC(=O)N2C[C@@H]3CCOC[C@]3(C(=O)O)C2)n1 1857668956 MTHZCGBKLDMDAS-RNODOKPDSA-N 401.419 1.628 0 50 HDAA O=C1CO[C@@H](COc2ccc(F)cc2)CN1C1CCN(c2cc(O)ncn2)CC1 1857674039 YLNSGBDLRRRDQT-QGZVFWFLSA-N 402.426 1.597 0 50 HDAA Cc1csc(CN2CCC3(CC2)CC(=O)N(CC(=O)N2CCCC2)CCO3)n1 1857691932 HBAVWTUNRWTBSB-UHFFFAOYSA-N 406.552 1.657 0 50 HDAA CS(=O)(=O)c1ccc(CC(=O)N2CCO[C@]3(CCN(CC4CCC4)C3)C2)cc1 1857704701 BWUZOCMOAVREFB-NRFANRHFSA-N 406.548 1.736 0 50 HDAA CCCCc1ncc(CN2CCC(OC)(C(=O)N3CCC[C@@H](C(N)=O)C3)CC2)[nH]1 1857730230 NFYMKJPFLWYPRA-MRXNPFEDSA-N 405.543 1.457 0 50 HDAA COC(=O)[C@H]1COCCN(C(=O)C2CCN(c3nc4nc(C)ccc4o3)CC2)C1 1857738975 HEEOPPWTUJRRSH-OAHLLOKOSA-N 402.451 1.396 0 50 HDAA O=C1CC[C@@H](N2Cc3ccc(NC(=O)c4ccc5nccn5c4)cc3C2=O)C(=O)N1 2325895708 HGHYREWUQMYUJZ-MRXNPFEDSA-N 403.398 1.348 0 50 HDAA COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NCCc2cccnc2)c(F)c1 11821772 LQBQVJNJVLAZEH-IBGZPJMESA-N 400.454 1.279 0 50 HDAA COCCNC(=O)c1cn([C@H]2CCCN(C(=O)/C=C/c3ccc(OC)cc3)C2)nn1 12051421 RLSITERLYRRLAW-JEJOPICUSA-N 413.478 1.540 0 50 HDAA Cc1cc(C)nc(CCNCc2cccc(OC[C@@H](O)CN3CCOCC3)c2)n1 19794507 ZXBKQPRLGLINJK-FQEVSTJZSA-N 400.523 1.498 0 50 HDAA Cc1nn2cc(CCNC(=O)C[C@H]3C(=O)NCCN3Cc3cccs3)nc2s1 64626218 KSHGIHVOMIQQNP-HNNXBMFYSA-N 418.548 1.210 0 50 HDAA CC[C@H](NC(=O)C1CCN(S(C)(=O)=O)CC1)c1ccc(S(C)(=O)=O)cc1 65363244 VHXVKZDZDSFVIV-INIZCTEOSA-N 402.538 1.329 0 50 HDAA Cc1ccc(S(=O)(=O)N(C)c2cccc(C(=O)NCCN3CCOCC3)c2)cc1 67338920 CQODSQFSXWGNQB-UHFFFAOYSA-N 417.531 1.882 0 50 HDAA C[C@H](NS(=O)(=O)c1ccc2c(c1)CCN(C(=O)CNC(N)=O)C2)c1ccccc1 77321047 OFNWKMULKBKJJP-AWEZNQCLSA-N 416.503 1.279 0 50 HDAA CCOC(=O)c1cc(NC(=O)[C@H]2[C@H]3C=C[C@@H](O3)[C@@H]2C(=O)O)cc(C(=O)OCC)c1 169363529 SKHFQSMLRAGBOO-WCVJEAGWSA-N 403.387 1.633 0 50 HDAA COc1ccc(CCN2C(=O)N[C@@H](CCC(=O)N[C@@H]3NC(C)=C(C)S3)C2=O)cc1 223238263 NAHPGZYJUQKDEW-LPHOPBHVSA-N 418.519 1.926 0 50 HDAA Cc1noc(C)c1CC(=O)NC[C@@H]1CN(C2CCN(C3CCC3)CC2)C(=O)CO1 299758874 LGYUQKUAYWVGBY-GOSISDBHSA-N 404.511 1.194 0 50 HDAA CCOc1ccc(CN2CCN(C(=O)C(=O)NCc3c(C)noc3C)CC2)cc1 328590051 MIHWOYBZZIYCHI-UHFFFAOYSA-N 400.479 1.651 0 50 HDAA Cc1cc(COc2ccccc2)oc1C(=O)N1C[C@H](CS(=O)(=O)N(C)C)[C@@H](O)C1 1616081824 ISYDXDUZKPEANI-QAPCUYQASA-N 422.503 1.491 0 50 HDAA Cc1cc(=O)cc(C(=O)N2C[C@H]3CN(C(=O)c4cc(C)oc4C)C[C@@]3(CO)C2)o1 1772712335 PCDMPKHDVSBSDS-VFNWGFHPSA-N 400.431 1.365 0 50 HDAA COc1cc2c(cc1OC)CN(C(=O)CN1C[C@@H]3C[C@@H](C1)c1cccc(=O)n1C3)CC2 1775973917 PSUKQBVXJRENOG-LPHOPBHVSA-N 423.513 1.870 0 50 HDAA O=C(N[C@H]1CCC[C@H]2CN(C(=O)CN3CCc4ccccc4C3)C[C@@H]12)c1cn[nH]c1 1857666006 LFCWWORWPODVGO-TYPHKJRUSA-N 407.518 1.825 0 50 HDAA Cc1nc(CCNC(=O)Cn2nc(CC3CC3)nc2[C@H](N)Cc2ccccc2)no1 1857694295 JVUKIBCDSATYBQ-QGZVFWFLSA-N 409.494 1.523 0 50 HDAA CN1CCO[C@@H](Cn2ccnc2-c2ccc(OCC(=O)N3CCOCC3)cc2)C1 1857701072 OSCYNVPCMMMZCN-LJQANCHMSA-N 400.479 1.118 0 50 HDAA CCOC(=O)C1CCN(c2ncnc3c2ncn3C[C@@H](CO)[C@@H]2CCOC2)CC1 1875269259 PRDMNGRMYFZGAU-CVEARBPZSA-N 403.483 1.251 0 50 HDAA CC(=O)Nc1ncc(S(=O)(=O)N2c3cnn(C)c3CC[C@@H]2C(F)(F)F)s1 1875354336 DVJNKYKYWRDAMP-SNVBAGLBSA-N 409.415 1.907 0 50 HDAA NC(=O)CCNC(=O)Nc1cccc(NC(=O)c2cc(O)ncc2Br)c1 2325862852 LBQJJHJXNRWFAA-UHFFFAOYSA-N 422.239 1.799 0 50 HDAA CN(C)C(=O)COc1ccc(S(=O)(=O)c2ccc(OCC(=O)N(C)C)cc2)cc1 853014 ZJWTUJLJAZUIGQ-UHFFFAOYSA-N 420.487 1.453 0 50 HDAA COCC(=O)N[C@@H](c1nnc2n1CCN(Cc1ccc(OC)cc1)CC2)C(C)C 12202855 QHNKNJWJZDJVHW-HXUWFJFHSA-N 401.511 1.805 0 50 HDAA CN(Cc1n[nH]c2c1CCCC2)C(=O)C[C@H]1C(=O)NCCN1C1Cc2ccccc2C1 12302152 QHBDAYKPJXOZIS-QFIPXVFZSA-N 421.545 1.605 0 50 HDAA COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)N(C)Cc2ccccn2)c(F)c1 12304661 KFRDKSDOEPHNBZ-LJQANCHMSA-N 400.454 1.578 0 50 HDAA O=C([C@@H]1CCCO1)N1CCN(CCOc2cccc(CN3CCOCC3)c2)CC1 14991716 MVLIZZIRELKKII-NRFANRHFSA-N 403.523 1.221 0 50 HDAA Cn1c(=O)c(=O)n(C)c2cc(S(=O)(=O)N3CCC[C@@H]3c3ccccc3F)ccc21 15671073 USNCMJBTBOSCIJ-MRXNPFEDSA-N 417.462 1.902 0 50 HDAA COc1ccc(CNCCCn2ccnc2)c(OC[C@H](O)CN2CCN(C)CC2)c1 20209274 ZUBWYASIALTFMW-HXUWFJFHSA-N 417.554 1.059 0 50 HDAA O[C@H]1CN(Cc2ccc(Cn3cccn3)cc2)C[C@@H]1N1CCN(c2ccccn2)CC1 20254770 OUTGPSQEIJEFLS-GOTSBHOMSA-N 418.545 1.694 0 50 HDAA COCCOCCC(=O)N[C@H]1CCN([C@H](C(=O)OC(C)(C)C)c2ccccc2)C1=O 170608632 YSSZIZYYMOPPKW-HKUYNNGSSA-N 420.506 1.840 0 50 HDAA COc1ccc(OC)c(CNS(=O)(=O)c2cc3c(cc2OC)NC(=O)CO3)c1 225479891 ARBYMXJJBLWIDA-UHFFFAOYSA-N 408.432 1.522 0 50 HDAA Cc1cc(=NC(=O)c2cccc(Nc3ncccn3)c2)n([C@H]2CCS(=O)(=O)C2)[nH]1 334159285 SYIPMGWQIHXQOT-INIZCTEOSA-N 412.475 1.759 0 50 HDAA O=C(Nc1cccc(S(=O)(=O)N2C[C@@H]3C[C@H]4C[C@H]3[C@@H]2[C@H]4O)c1)c1cncs1 408521117 JACRXSFHEUUYOJ-ZLDSFBNPSA-N 405.501 1.785 0 50 HDAA Cc1cccc(CN2CCC[C@@]3(CCN(Cc4cc(=O)n5[nH]cnc5n4)C3)C2=O)c1 426465103 DZQJAYOLSFQEEQ-QFIPXVFZSA-N 406.490 1.741 0 50 HDAA COc1ccc(CNC(=O)c2cccc(C(=O)NCc3ccc(OC)cn3)n2)nc1 447617813 FCXGFRRYONPQHF-UHFFFAOYSA-N 407.430 1.749 0 50 HDAA CCS(=O)(=O)N1CCC[C@H](C(=O)N2CCC(O)(Cc3cccc(F)c3)CC2)C1 474830037 LRKJAGDWYATUSH-KRWDZBQOSA-N 412.527 1.783 0 50 HDAA COc1cccc2c1OC[C@H](NC(=O)CCN1C(=O)c3ccccc3S1(=O)=O)C2 824804682 DVWODEQHKALIIC-CQSZACIVSA-N 416.455 1.350 0 50 HDAA Cc1ncnc(N2CCN(C(=O)[C@@H](C)N(c3ccccc3)S(C)(=O)=O)CC2)c1C 952963833 JGNRYALMNWMJQS-QGZVFWFLSA-N 417.535 1.597 0 50 HDAA Cc1nnc(N2CCN(C(=O)Cc3c(C)nn(C(F)F)c3C)CC2)c(C(N)=O)c1C 1338621364 ZOEVENBPWMXPOL-UHFFFAOYSA-N 421.452 1.292 0 50 HDAA COc1ccc2c(c1)C(=O)NC[C@H]1CCN(C1)C(=O)CCc1cn(nn1)CCCO2 1704317893 KJLZCYBILTUWKL-OAHLLOKOSA-N 413.478 1.280 0 50 HDAA Cc1[nH]c(C(=O)N2C[C@@H]3CN(Cc4ccns4)C[C@@]3(CO)C2)c(C)c1C(=O)O 1772819711 QPJXOSKDQMTUNX-DJJJIMSYSA-N 404.492 1.353 0 50 HDAA O=C(CN1CCN(c2ncccn2)CC1)N1[C@H]2CC[C@@H]1[C@@](CO)(Cc1ccccc1)C2 1857678630 ILYXYWLPOKTLKS-IMSXRSKXSA-N 421.545 1.583 0 50 HDAA CC(C)C[C@@H]1[C@H](C(=O)N2CCCCC2)C[C@@H]2CN(Cc3nccn3C)CC(=O)N21 1857683429 GLVBCFDKAWMARZ-GUDVDZBRSA-N 401.555 1.880 0 50 HDAA CC(C)c1nccc(C(=O)N2CCO[C@@H](CN3CCOCC3)[C@@H]2c2cccnc2)n1 1857738013 NPOYTHQNHHUYFM-PMACEKPBSA-N 411.506 1.910 0 50 HDAA O=C([C@@H]1CCOC1)N1CCC[C@@](Cc2cn(CCc3ccccc3)nn2)(C(=O)O)C1 1875324504 BCHWIJPRYBXVEF-GCJKJVERSA-N 412.490 1.793 0 50 HDAA CCOC(=O)N1CCN(S(=O)(=O)c2ccc(I)cc2)CC1 1142265 RXYTYZAKEVVLOD-UHFFFAOYSA-N 424.260 1.754 0 50 HDAA CCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1C[C@H](O)COc1ccccc1C 4135784 SPUUSHVPYXPSPA-AWEZNQCLSA-N 401.467 1.004 0 50 HDAA COCCNC(=O)c1cn(C2CCN(C(=O)/C=C/c3ccc(OC)cc3)CC2)nn1 12456939 WCVWPAWJOCJKSF-VMPITWQZSA-N 413.478 1.540 0 50 HDAA CN1CCN(C(=O)C[C@@]2(c3cccc(F)c3)CC(=O)N(C3CCCC3)C2=O)CC1 19739764 FCICQEMGYWXFCQ-QFIPXVFZSA-N 401.482 1.929 0 50 HDAA CCOc1ccc(N2C(=O)C[C@@H](N3CCN(C(=O)c4cccnc4)CC3)C2=O)cc1 19890192 KWRZYSHBIIMIRD-LJQANCHMSA-N 408.458 1.570 0 50 HDAA CCOC(=O)c1c(C)n(C)c2ccc(OC[C@H](O)CN3CCN(CCO)CC3)cc12 20060015 UCOWGZYZOFEOPF-QGZVFWFLSA-N 419.522 1.013 0 50 HDAA CCCCN1CCN([C@@H](C(=O)NCc2cnc(C)cn2)c2ccccc2)C(=O)C1=O 77536487 MCYCPXDLFQCBBI-LJQANCHMSA-N 409.490 1.613 0 50 HDAA CCn1nccc1C(=O)N1CCC(N2CCC[C@H](C(=O)NCc3ccccn3)C2)CC1 82096415 SPGDMNQQDGESEY-SFHVURJKSA-N 424.549 1.931 0 50 HDAA COC(=O)[C@H](NCC(=O)Nc1ccc(S(N)(=O)=O)cc1)c1ccc(F)c(C)c1 466950161 SOAOETOEBVTVFM-QGZVFWFLSA-N 409.439 1.224 0 50 HDAA O=C(Nc1ccc(OCC(=O)N2CCOCC2)cc1)c1cccc(-n2cnnc2)c1 827968219 AMVHHKDMPKSCSJ-UHFFFAOYSA-N 407.430 1.757 0 50 HDAA Cn1cncc1C(=O)N1CCCN(C(=O)Cc2nc3ccc(Cl)cc3[nH]2)CC1 1529111382 WMZREJNRWMOHJD-UHFFFAOYSA-N 400.870 1.867 0 50 HDAA COCCN1CCC(C(=O)N2CCC[C@@]3(CCc4cnc(N(C)C)nc43)C2)CC1 1704340162 WBZKHYWHKQKBFV-JOCHJYFZSA-N 401.555 1.707 0 50 HDAA CC1=C(CN2C[C@@H]3CN(S(=O)(=O)c4cn[nH]c4)C[C@@]3(CO)C2)C(C)(C)CCC1 1772806743 KDCRVXZPRSZJID-OXQOHEQNSA-N 408.568 1.851 0 50 HDAA O=C(Cn1ccccc1=O)N1CCC[C@]2(CCc3c(O)nc(-c4cccnc4)nc32)C1 1857671335 FVBAKYXJBRNIMP-QHCPKHFHSA-N 417.469 1.913 0 50 HDAA CN(C)[C@@H]1CS(=O)(=O)[C@H]2CN(Cc3ccc(OCc4ccccn4)cc3)C[C@@H]12 1857741031 YYCKZPKAMJRYPZ-HBMCJLEFSA-N 401.532 1.820 0 50 HDAA CCn1ncc(C(=O)N2CC(=O)N3[C@@H](C[C@H](C(=O)OC)[C@@H]3c3ccccc3)C2)c1C 1875251234 ZURHKPBBFMGXEW-ZWOKBUDYSA-N 410.474 1.799 0 50 HDAA Cc1nc(C(=O)N[C@H](Cn2cncn2)c2ccccc2)nc(N2CC[C@@H](N)C2)c1C 2325876549 ZCYPMBXTYLZBOX-QZTJIDSGSA-N 406.494 1.394 0 50 HDAA O=C1CC[C@@H](N2Cc3ccc(C(=O)Nc4ccc5c(c4)CNCC5)cc3C2=O)C(=O)N1 2325897242 RQCHZXUPBWZXHE-LJQANCHMSA-N 418.453 1.346 0 50 HDAA CCOC(=O)c1ccc(NS(=O)(=O)c2cc(-c3nnnn3C)ccc2OC)cc1 972701 YBARWGMKSXZZEK-UHFFFAOYSA-N 417.447 1.863 0 50 HDAA COc1ccccc1N1CCN(S(=O)(=O)c2cccc(S(C)(=O)=O)c2)CC1 4335193 WSMDNNNTNSYYNH-UHFFFAOYSA-N 410.517 1.610 0 50 HDAA COc1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1C(=O)N1CCOCC1 7881216 CZKKVCVRYKDXPH-UHFFFAOYSA-N 404.488 1.988 0 50 HDAA CCOC(=O)N1CCN([C@H]2CCCN(C(=O)CC3=CSC4=NCCN34)C2)CC1 12005494 GLPXIFRTVXGOHM-HNNXBMFYSA-N 407.540 1.401 0 50 HDAA COc1ccc(CC(=O)NC[C@@H]2CCCN(C(=O)CN3CCCCC3=O)C2)cc1 12572075 OZJLTUIXPXHZDD-SFHVURJKSA-N 401.507 1.605 0 50 HDAA COC(=O)CCN1C[C@@H](OCc2ccncc2)CN(C(=O)c2ccsc2)CC1=O 14536655 DKZHLRDJBRTREG-QGZVFWFLSA-N 417.487 1.576 0 50 HDAA CN(C)C(=O)CN1CCC(CCC(=O)N[C@H]2CCN(Cc3ccccc3)C2)CC1 95501438 FYJFNSUGGABDNW-NRFANRHFSA-N 400.567 1.958 0 50 HDAA CCN1CCCC[C@@H]1C(=O)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)COC 95524399 NVHKNGJOJKBSAA-QGZVFWFLSA-N 403.527 1.133 0 50 HDAA C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)C(=O)CNC(=O)OCc1ccccc1 111010179 BMDWEOAHAPLSMY-CQSZACIVSA-N 405.476 1.780 0 50 HDAA COC(=O)CC[C@@H]1CN(Cc2cc(OC)c(O)c(OC)c2)CC[C@@H]1N1CCOCC1 206933643 UNBMJKNDSOOFAY-MSOLQXFVSA-N 422.522 1.885 0 50 HDAA O=C(NCCCCNC(=O)[C@@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O 238997488 AJOOLUPABXIBLF-DNGPBAJDSA-N 416.474 1.045 0 50 HDAA COc1ccc(OC)c([C@@H]2N[C@H](C(=O)O)[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]32)c1 245246825 PDDAKTMCYSHELE-OWSLCNJRSA-N 414.389 1.746 0 50 HDAA Cc1nn(C(C)C)c(C)c1S(=O)(=O)N1CCC2(CC1)C[C@](O)(CO)CCO2 1704302410 JWFMLUBVLVUMTR-KRWDZBQOSA-N 401.529 1.138 0 50 HDAA O=C(c1ccc(-n2cnnn2)cc1)N1C[C@@H](O)[C@H](Cc2ccc3ccccc3n2)C1 1857725028 SMSHLFWFCATJKC-DYESRHJHSA-N 400.442 1.886 0 50 HDAA N=c1cc(-c2nccn2C[C@H]2CN(CC3CCN(CC4CC4)CC3)C(=O)CO2)cc[nH]1 1857730480 TUJWLBINLKUYLO-FQEVSTJZSA-N 424.549 1.707 0 50 HDAA CC(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1 1875334681 YYKBSOYDKOJMGX-HKBOAZHASA-N 409.486 1.012 0 50 HDAA CN(C)[C@H]1C[C@@H](CN2CCC(=O)N(C[C@@H]3CN(C(=O)OC(C)(C)C)CCO3)C2=O)C1 1875387520 LTPQBWPQKWAPQP-BBWFWOEESA-N 424.542 1.617 0 50 HDAA Cc1cc(C(=O)N[C@@H]2C3CN4CCN(C3)CC2(c2ccccc2)C4)nn1C(F)F 1940197514 VWXFTIBCORIDNE-BPVAQJAMSA-N 401.461 1.884 0 50 HDAA CCN1C(=O)[C@@]2(SC(NC(C)=O)=NN2C(C)=O)c2cc(Br)ccc21 1424839 NGKHLUSIRDFIPD-HNNXBMFYSA-N 411.281 1.971 0 50 HDAA O=S(=O)(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccc(F)cc1 5560607 QYIDCOOGWLPWOB-UHFFFAOYSA-N 400.453 1.647 0 50 HDAA CN(Cc1ccncn1)C(=O)C[C@@H]1C(=O)NCCN1Cc1c(F)cccc1Cl 14947877 PZOQUWNLDBHSRH-QGZVFWFLSA-N 405.861 1.618 0 50 HDAA CN1CCN(C(=O)C[C@]2(c3ccccc3)CC(=O)N(Cc3ccncc3)C2=O)CC1 20998743 UUJYPIWQPYXRTQ-HSZRJFAPSA-N 406.486 1.443 0 50 HDAA O=C(Cc1ccc(Cl)cc1)N1CCN(c2ccnc(N3CCOCC3)n2)CC1 72119422 YDCPEVITOJJKGM-UHFFFAOYSA-N 401.898 1.858 0 50 HDAA CC(C)CN(C)Cc1ccc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)c(=O)[nH]1 77378690 VSLZXZMBEOYOQF-UHFFFAOYSA-N 406.508 1.040 0 50 HDAA O=C(N[C@H]1C=CS(=O)(=O)C1)c1cccc(OC2CCN(C(=O)C3CC3)CC2)c1 95505078 ZGAPVBCICAIVCB-INIZCTEOSA-N 404.488 1.507 0 50 HDAA Cc1cc(F)ccc1N1C[C@]23C=C[C@H](O2)[C@H](C(=O)N2C[C@@H]4CC[C@H](C2)[C@@H]4O)[C@H]3C1=O 102612891 PWIIIRYVNWKZSB-XMGTVKQOSA-N 412.461 1.650 0 50 HDAA NC(=O)c1noc([C@@H]2CCCN2S(=O)(=O)c2c(F)cccc2Br)n1 225658095 WRFRXVPTLUNUMA-VIFPVBQESA-N 419.232 1.596 0 50 HDAA CCCN(CC(=O)OC)C(=O)CCNS(=O)(=O)c1ccccc1Br 242389615 ZYUCSYOGMNOFFW-UHFFFAOYSA-N 421.313 1.529 0 50 HDAA CCc1c(C)nn(CC(=O)N[C@@H]2C3CN4CCN(C3)CC2(c2ccccc2)C4)c1C 670464095 PHRAFLKPYXCMDW-PAHOBDAQSA-N 407.562 1.746 0 50 HDAA Nc1nc(N2CCC[C@H](CNC(=O)Cc3cccc(F)c3F)C2)c2nc[nH]c2n1 952971480 OFCZKGBISDTILC-LLVKDONJSA-N 401.421 1.789 0 50 HDAA Cc1ccoc1C(=O)N1C[C@@H]2COC[C@]2(C(=O)NCc2cn3ccsc3n2)C1 1857690989 QWJSIQULBJRZEM-BFUOFWGJSA-N 400.460 1.702 0 50 HDAA CO[C@H]1C[C@@H](C(=O)NCCCn2ccnc2)CC[C@@H]1NC(=O)c1cc(C)n(C)n1 1875244813 VTBVUAANVFKZTE-BQFCYCMXSA-N 402.499 1.045 0 50 HDAA Cn1nccc1C(=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 6726662 INMXUAWNRXYGAK-UHFFFAOYSA-N 403.291 1.874 0 50 HDAA COc1ccc(OC)c(CN(C)CCn2cc(C(=O)N3CCSCC3)nn2)c1 14992901 ZNXYLYYAVYTVHM-UHFFFAOYSA-N 405.524 1.616 0 50 HDAA Cc1nn(C)cc1CN(C)CC(=O)Nc1sc(C(N)=O)c(C)c1C(=O)OC(C)C 17092754 OZDFHEVZMDCAOD-UHFFFAOYSA-N 421.523 1.833 0 50 HDAA O=C1CC[C@@H](C(=O)NCc2nnc3n2CCN(Cc2c(F)cccc2Cl)CC3)N1 20599860 YLQHKBBSFOPSNK-HNNXBMFYSA-N 420.876 1.024 0 50 HDAA Cc1cccnc1CCNC(=O)C[C@@H]1C(=O)NCCN1Cc1cccc(F)c1F 55153149 BWPGSIVWIVUCHL-GOSISDBHSA-N 402.445 1.718 0 50 HDAA Cc1nc(N2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)cc(-n2ccnc2)n1 67621109 OMUZRDASIFFZRI-UHFFFAOYSA-N 420.445 1.760 0 50 HDAA Cc1cc(C)n2ncc(CN3CC[C@H](N4CCOCC4)[C@H](CCC(=O)O)C3)c2n1 91974005 IFPYYXTYDHHBGQ-MJGOQNOKSA-N 401.511 1.734 0 50 HDAA COc1ccc(CC(=O)O)cc1S(=O)(=O)NCc1nncn1C1CCCCC1 824742912 VJRAEURKMMDJMS-UHFFFAOYSA-N 408.480 1.898 0 50 HDAA COc1ccccc1CN1C[C@@H](C(=O)N2CCOC3(CCN(C)CC3)C2)CC1=O 1772816995 ZXPJWTGPZCIGDY-SFHVURJKSA-N 401.507 1.367 0 50 HDAA Nc1ccc2c(c1)C(=O)N([C@@H]1CCC(=O)N(CC(=O)N3CCc4ccccc43)C1=O)C2 1776004500 SPYWXRLWMBGGPP-LJQANCHMSA-N 418.453 1.332 0 50 HDAA S=C(S[C@H]1OCCO[C@@H]1SC(=S)N1CCOCC1)N1CCOCC1 2880352 YPTGGDDCEIJRSA-VXGBXAGGSA-N 410.608 1.386 0 50 HDAA COc1ccc(CCNC(=O)C(=O)NCc2ccc(OC)c(OC)c2)cc1OC 4557440 VPTVIIKXJNJTIQ-UHFFFAOYSA-N 402.447 1.696 0 50 HDAA CN(C)c1nc(OCCNC(=O)Nc2cccc(Cl)c2)nc(N2CCOCC2)n1 6745398 MLRAQQQDCIHYEU-UHFFFAOYSA-N 421.889 1.628 0 50 HDAA CN1CCCN(C(=O)c2cn(CCNC(=O)Cc3ccc4ccccc4c3)nn2)CC1 12470853 BFSUKRWNYIPDLH-UHFFFAOYSA-N 420.517 1.568 0 50 HDAA CCCS(=O)(=O)c1ncc(CN(C)CCN2CCOCC2)n1C[C@H]1CCCO1 19222659 MEZGSCXFKRMFSJ-GOSISDBHSA-N 414.572 1.010 0 50 HDAA COc1ccc(CNCC2CCOCC2)cc1OC[C@H](O)CN1CCCN(C)CC1 19229171 YVDGGFQJUGXPPO-OAQYLSRUSA-N 421.582 1.589 0 50 HDAA CN1CCN(C(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(C)(=O)=O)CC1 19589726 LWBBUEQPTLDFLC-UHFFFAOYSA-N 413.849 1.899 0 50 HDAA O=C(COc1ccc(Cl)cc1)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 38522356 PGAJLEUTBYONIY-UHFFFAOYSA-N 417.897 1.694 0 50 HDAA COc1cc(-c2ccc(C)s2)cc2c1OCCN(C(=O)[C@@H](CO)NC(C)=O)C2 67947841 UUPZLRCQMHVGEA-MRXNPFEDSA-N 404.488 1.950 0 50 HDAA O=C([C@H]1CCCN(C2CCN(c3nnnn3-c3ccccc3)CC2)C1)N1CCCC1 71754329 QVFRJLZVUQLIBV-SFHVURJKSA-N 409.538 1.966 0 50 HDAA Cc1ccc(NS(=O)(=O)c2ccccc2)cc1S(=O)(=O)N1CCN(C)CC1 71754819 ZXBOEOPACPIQKT-UHFFFAOYSA-N 409.533 1.732 0 50 HDAA O=C1CN(C(=O)C[C@H]2C(=O)NCCN2Cc2ccc(-c3ccccc3)cc2)CCN1 72139143 MEWFCVXQWAFKAT-FQEVSTJZSA-N 406.486 1.003 0 50 HDAA Cc1ccc(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N(C)Cc3cnn(C)c3)[C@@H]4C2=O)cc1C 77378954 JFRPNKQQBAAFHQ-JCUDRXCFSA-N 420.513 1.978 0 50 HDAA O=C([C@@H]1[C@@H]2C=C[C@@]3(CN(Cc4ccc(F)cc4)C(=O)[C@@H]13)O2)N1CCc2n[nH]cc2C1 77385802 HXOFFQNZHKALOC-JYLXEMOASA-N 408.433 1.416 0 50 HDAA Cc1ncsc1C(=O)N1CCc2ccc(S(=O)(=O)NCC[C@@H](C)O)cc2C1 77392389 ZWCJHRAEZXGBIK-GFCCVEGCSA-N 409.533 1.699 0 50 HDAA COC(=O)Cc1c(O)oc2c(CN[C@]3(C)CCS(=O)(=O)C3)c(=O)ccc-2c1C 334158612 XIDNSYAQYAVDJX-LJQANCHMSA-N 409.460 1.141 0 50 HDAA O=S(=O)(NCCN1CCCC[C@H]1CO)c1ccc(-c2cc(C(F)(F)F)n[nH]2)o1 670465073 QMEWSWQHKSGVEN-NSHDSACASA-N 422.429 1.814 0 50 HDAA CC(=O)NS(=O)(=O)c1ccc(NC(=O)C(=O)CC(=O)c2ccc(C)cc2)cc1 820585296 WJTGABLZXCXTRB-UHFFFAOYSA-N 402.428 1.600 0 50 HDAA Cc1ncc(C(=O)N2C[C@H]3[C@H](N(C)C)CS(=O)(=O)[C@H]3C2)c(-c2ccccc2)n1 1857708651 FTDFRCSVYLQEOH-KSZLIROESA-N 400.504 1.251 0 50 HDAA O=C1COc2ncnc(NC[C@@H](CO)Cc3cc(F)cc(Br)c3)c2N1 1875341101 GIQHLOUKHDBDIS-JTQLQIEISA-N 411.231 1.972 0 50 HDAA CCSc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@@H](O)COc1ccc(Cl)cc1 625882 RIJMOAJYWSURSK-LLVKDONJSA-N 410.883 1.629 0 50 HDAA COC(=O)[C@H]1CCCCN1Cc1c(C(=O)N2CCCN(C)CC2)nc2sccn12 11819286 QSDUFYPUEBECEN-OAHLLOKOSA-N 419.551 1.701 0 50 HDAA O=C1NCCN(CCc2ccccc2)[C@@H]1CC(=O)N1CCN(Cc2cccnc2)CC1 12431195 LVNGREPQHYCGGR-JOCHJYFZSA-N 421.545 1.159 0 50 HDAA COCCS(=O)(=O)c1ncc(CN2CCC[C@H](CO)C2)n1Cc1ccccc1 15079222 CAXNCCFYRWWJPA-SFHVURJKSA-N 407.536 1.556 0 50 HDAA COc1ccc(CN(C)Cc2ccccn2)cc1OC[C@@H](O)CN1CCN(C)CC1 19334501 KNPWXGFGVNLJMI-NRFANRHFSA-N 414.550 1.709 0 50 HDAA CC(=O)N1CCCN(Cc2cnc(S(=O)(=O)CC3CC3)n2C[C@@H]2CCCO2)CC1 20295127 KTUUOYCURBCXDP-IBGZPJMESA-N 424.567 1.300 0 50 HDAA CC(C)NC(=O)C(=O)N1CCC[C@@H](N2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 72159413 CJOVOTWIAGCIPK-GOSISDBHSA-N 416.522 1.049 0 50 HDAA COc1ccc(Br)c(S(=O)(=O)N2CCC[C@H]([C@@H](O)C(=O)O)C2)c1 252536247 HZDHPUJCQDNXNI-TVQRCGJNSA-N 408.270 1.304 0 50 HDAA CC[C@@H](CO)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3ccccn3)cc2)CC1 408521167 KNFFUZCUOKKTNJ-KRWDZBQOSA-N 418.519 1.411 0 50 HDAA Cc1ccccc1CC(=O)N1CCCN(C(=O)c2cccc(-n3cnnc3)n2)CC1 1772705419 MRACHRDCZWOBGD-UHFFFAOYSA-N 404.474 1.888 0 50 HDAA COc1ccccc1[C@H](CNC(=O)C[C@]1(O)CCOC1)NC(=O)[C@H]1CC[C@@H](C)C1 1875345324 WDYJPXWAMINECC-QKZPVBNUSA-N 404.507 1.946 0 50 HDAA O=C1CC[C@H](N2Cc3c(C(=O)N[C@@H]4CNc5ccccc5C4)cccc3C2=O)C(=O)N1 2325896249 VAWDOGVANMUDGQ-LIRRHRJNSA-N 418.453 1.214 0 50 HDAA CC(C)N1C(=O)CO[C@H](C(=O)NC2CCN(c3cnccn3)CC2)[C@H]1c1ccccc1 2356166413 WRSTUCLCRGNAEO-YADHBBJMSA-N 423.517 1.939 0 50 HDAA CC(C)N1C(=O)CO[C@H](C(=O)N2CCOC3(CCNCC3)C2)[C@H]1c1ccccc1 2356168366 AHOWHCGYZLOIIV-UXHICEINSA-N 401.507 1.345 0 50 HDAA CC(=O)Oc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 917348 OUDIWFBXZPTCER-UHFFFAOYSA-N 404.444 1.885 0 50 HDAA CC(C)(C)c1cc(CNC(=O)[C@@H]2CCC(=O)N(CCCN3CCCC3=O)C2)n[nH]1 11663580 DHNGSLOBBMATDG-OAHLLOKOSA-N 403.527 1.575 0 50 HDAA O=C(C[C@H]1C(=O)NCCN1C(=O)CN1CCc2ccccc2C1)Nc1ccccc1 13636500 IPYWKQFVUQQCMN-FQEVSTJZSA-N 406.486 1.401 0 50 HDAA COC(=O)CCC(=O)N1CC(=O)N(CC(C)C)C[C@H](OCc2cccc(F)c2)C1 14532640 YJYKMRKOWXRKON-SFHVURJKSA-N 408.470 1.991 0 50 HDAA COc1cccc(CC(=O)NCCn2cc(C(=O)NCc3ccc(C)cc3)nn2)c1 14995941 WEGHOOCPXOSWER-UHFFFAOYSA-N 407.474 1.884 0 50 HDAA CCOC(=O)N1CCN([C@@H]2CCCN(C(=O)C(=O)CCc3ccccc3)C2)CC1 20449496 DFCKIGMAGMTDCZ-LJQANCHMSA-N 401.507 1.953 0 50 HDAA CN(C)C(=O)CCCNC(=O)[C@H]1CCCN(C2CCN(Cc3cccnc3)CC2)C1 82097638 MUTDUTWPZUNYSO-FQEVSTJZSA-N 415.582 1.743 0 50 HDAA COC(=O)C1(CS(=O)(=O)N[C@@H](c2ccc(OC)cc2)c2nccn2C)CCC1 239762528 CLWXOESHZGOMHH-INIZCTEOSA-N 407.492 1.781 0 50 HDAA CC[C@H](C)N1C(=O)[C@@H]2[C@H]([C@H](C)O)N[C@]3(C(=O)Nc4c(Cl)cc(C)cc43)[C@@H]2C1=O 245255898 MHUDSBSAPUUZHC-FYZYVJBLSA-N 405.882 1.548 0 50 HDAA Cc1nnc(SCC(=O)N[C@@H]2C3CN4CCN(C3)CC2(c2ccccc2)C4)s1 670439359 AYKFZTGCWOJLKQ-RVSXGSNBSA-N 415.588 1.622 0 50 HDAA O=C(Cn1c(=O)oc2ccccc21)N1CCN(Cc2ccc3c(c2)OCO3)C(=O)C1 952967021 YLPBWFKJMOXMAF-UHFFFAOYSA-N 409.398 1.194 0 50 HDAA CC1=NO[C@](C)(C(=O)N2CCC(CNC(=O)c3nc4ccccn4c3F)CC2)C1 1506424802 NFYTYWZUNFVZNN-FQEVSTJZSA-N 401.442 1.997 0 50 HDAA Cc1cc(S(=O)(=O)N2C[C@@H]3CN(Cc4[nH]cnc4C)C[C@@]3(CO)C2)c(C)s1 1772808503 RXPBXVFQVJNLMT-YJBOKZPZSA-N 410.565 1.511 0 50 HDAA Nc1ccc2c(c1)C(=O)N([C@H]1CCC(=O)N(CC(=O)N3CCc4ccccc43)C1=O)C2 1776004499 SPYWXRLWMBGGPP-IBGZPJMESA-N 418.453 1.332 0 50 HDAA Cc1nc(O)cc(C2CCN(C(=O)[C@H]3CC(=O)N(c4nnc(C)s4)C3)CC2)n1 1857721962 AEUVEYRCWBHHKY-ZDUSSCGKSA-N 402.480 1.410 0 50 HDAA COc1cc(C(=O)N[C@@H](C)C(=O)Nc2ncc(C(N)=O)s2)cc(OC)c1OC 2325854680 QBLBWOSGZYAASF-QMMMGPOBSA-N 408.436 1.025 0 50 HDAA O=C1CC[C@H](N2Cc3cc(C(=O)N4CCC[C@H]4c4ncccn4)ccc3C2=O)C(=O)N1 2325896364 XAXGRKAWVGAFLQ-IRXDYDNUSA-N 419.441 1.215 0 50 HDAA O=C1CC[C@H](N2Cc3cc(C(=O)N4CCC[C@@H]4c4ncccn4)ccc3C2=O)C(=O)N1 2325896365 XAXGRKAWVGAFLQ-SJORKVTESA-N 419.441 1.215 0 50 HDAA COc1ccc(-n2nnnc2SCC(=O)Nc2ccc(-n3cnnn3)cc2)cc1 2185543 QVUNJKYWMGUPBC-UHFFFAOYSA-N 409.435 1.377 0 50 HDAA COc1ccc(CNC(=O)c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)cc1 3613197 JVQDCRUYHQVRHM-UHFFFAOYSA-N 408.451 1.785 0 50 HDAA O=C(CCCn1nnnc1CN1CCOCC1)N1CCCC[C@@H]1CCN1CCCC1 15077549 SJUQCYWKJCUKSM-LJQANCHMSA-N 419.574 1.153 0 50 HDAA O=C(NCc1cccnc1)[C@H]1CCCN(C2CCN(C(=O)N3CCOCC3)CC2)C1 82109624 PMOJZAWOOAEWCW-IBGZPJMESA-N 415.538 1.326 0 50 HDAA Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C(=O)O)CC2)cc1 239173944 OZAOTQSMMFBQNS-UOVPBQLFSA-N 404.488 1.351 0 50 HDAA CC1(C)CC[C@H](NC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)c2ccccc21 241564226 OSJZRDRWLHUKIU-VKJFTORMSA-N 404.532 1.951 0 50 HDAA COc1ccccc1[C@@H]1N[C@H](C(=O)O)[C@@H]2C(=O)N(c3cccc(C(=O)O)c3)C(=O)[C@H]12 245247138 QEDAEDLVVRNFCM-YVSFHVDLSA-N 410.382 1.297 0 50 HDAA CCN1c2nc3ccccn3c(=O)c2C[C@]2(C(=O)NC(=O)N(CC(C)C)C2=O)[C@H]1C 245329221 YGNQTEQGTSQVDC-LRTDBIEQSA-N 411.462 1.186 0 50 HDAA CN(C)c1cncc(NC[C@H]2CN(CC3CCN(CC4CC4)CC3)C(=O)CO2)n1 299797096 PNSYOWWMSREHQJ-SFHVURJKSA-N 402.543 1.304 0 50 HDAA C[C@@H]1CCCN(C(=O)C2CC3(C2)C[C@@H](NC(=O)c2ccon2)CCS3(=O)=O)CC1 952876169 DLLDILYSLLFQAY-JQCXZVQFSA-N 423.535 1.779 0 50 HDAA CSCC(=O)N1C[C@@H]2CN(C(=O)Cc3csc(C)n3)C[C@]2(CCC(=O)O)C1 1772808828 CECFNAUYOSIIER-SCLBCKFNSA-N 411.549 1.509 0 50 HDAA CCOC(=O)[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CCN(C(=O)CCn1cccn1)C2 1857694215 FPIZFXJCPCGUGE-WOIUINJBSA-N 418.538 1.556 0 50 HDAA Cc1noc(C)c1CN1CC2(CCN(C[C@@H]3CC(=O)N(C)C3)CC2)OCCC1=O 1857710164 KCZIMDQJTTWMHU-QGZVFWFLSA-N 404.511 1.353 0 50 HDAA COc1nccnc1N1CCC(N2C[C@@H](COc3ccc(F)cc3)OCC2=O)CC1 1857712360 WBWYKLFPGUPFEA-SFHVURJKSA-N 416.453 1.900 0 50 HDAA Cc1ccccc1C(=O)N[C@@H](CC(C)C)C(=O)NCCC1=NC(=O)[C@@H](C)C(=O)N1 1875253964 DJJDKYKPKIFSIQ-INIZCTEOSA-N 400.479 1.337 0 50 HDAA O=C([C@H]1C[C@@H](n2cnnc2)C1)N1CCC[C@@H]1Cn1cc([C@H]2CC[C@H](CO)CC2)nn1 2325872645 HYUCUBQDPFSCSF-NNIGNNQHSA-N 413.526 1.778 0 50 HDAA COCCN=c1[nH]c2cc(C(=O)N3CCC[C@]4(CCc5c[nH]nc54)C3)ccc2n1C 2356155109 XLRNZUXPCXEVIO-QFIPXVFZSA-N 408.506 1.897 0 50 HDAA Cc1nc(CCN(C)C(=O)[C@H]2[C@@H]3C=C[C@@]4(CN(c5ccc(F)cc5)C(=O)[C@@H]24)O3)no1 77537567 SSFULABKSIKZJJ-JWVYWZTKSA-N 412.421 1.505 0 50 HDAA CN(c1ccc(OCC(=O)N2CCC[C@@H]2CO)cc1)S(=O)(=O)c1cccs1 170591021 MDSKKSCYPOQUGA-OAHLLOKOSA-N 410.517 1.935 0 50 HDAA CC[C@@H](CO)N1CCN(C(=O)c2csc(CCNC(=O)OC(C)(C)C)n2)CC1 170610355 OIJIMMOBSMXXAQ-AWEZNQCLSA-N 412.556 1.739 0 50 HDAA CSC[C@H](C(=O)N1C(=O)c2cccc(N)c2C1=O)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 247492179 BVOKSQCWOFKQOE-JTNHKYCSSA-N 415.471 1.298 0 50 HDAA COc1ccccc1-n1cc(CNC(=O)CCN(C)[C@H]2CCS(=O)(=O)C2)cn1 670464083 FOFYRMVAUVHFOG-INIZCTEOSA-N 406.508 1.006 0 50 HDAA O=C(CNC(=O)c1ccccc1)NC[C@H]1CCCN(C(=O)[C@H]2CC[C@H](O)CC2)C1 828864965 DDIKOIJZQXTHQC-BHIYHBOVSA-N 401.507 1.322 0 50 HDAA Cc1cc(C(=O)N2CC[C@]3(CCN(C(=O)C[C@@H]4CCCNC(=O)C4)C3)C2)sn1 1875361556 VIUUESAKUSMFPH-QRWLVFNGSA-N 404.536 1.823 0 50 HDAA CCC(=O)NCc1cn([C@H](C)CNC(=O)C[C@H]2C(=O)Nc3cc(OC)ccc32)nn1 2325850527 APCRVOLWMDYVSG-MLGOLLRUSA-N 414.466 1.116 0 50 HDAA CC(C)[C@H](NC(=O)[C@@H](O)C1(O)CCOCC1)[C@H](O)c1cccc(C(F)(F)F)c1 2325860661 OWTOPWSOZFHWCO-ARFHVFGLSA-N 405.413 1.782 0 50 HDAA CCC(=O)Nc1ccccc1C(=O)OCC(=O)Nc1ccc(S(N)(=O)=O)cc1 2832913 XPGPVDSASUNADX-UHFFFAOYSA-N 405.432 1.478 0 50 HDAA COc1cc(C(=O)N/C(=C/c2ccc3c(c2)OCO3)C(=O)NN)cc(OC)c1OC 2921362 HGZIGAFZTILKBS-AWNIVKPZSA-N 415.402 1.202 0 50 HDAA COc1ccc(CN(C)C(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 6267951 OSABJMVDEUBWCD-UHFFFAOYSA-N 404.488 1.988 0 50 HDAA COC(=O)CC[C@H](NC(=O)[C@@H]1CCCN1c1nc(C)c2ccccc2n1)C(=O)OC 11909938 YQEOXYIOQYNUPI-IRXDYDNUSA-N 414.462 1.518 0 50 HDAA Cn1cnnc1SCCNCc1ccc(OC[C@@H](O)CN2CCCCC2)cc1 12718902 IBHSJXBHXBXFDY-SFHVURJKSA-N 405.568 1.923 0 50 HDAA CCOC(=O)N1CCN(C(=O)C[C@]2(c3ccccc3Cl)CC(=O)N(C)C2=O)CC1 14986904 JWKYIZBNISFPDE-FQEVSTJZSA-N 421.881 1.657 0 50 HDAA O=C(CN1C(=O)S/C(=C\c2cc3c(cc2Cl)OCO3)C1=O)N1CCOCC1 16156212 KZGIMZGSAGSNAW-NSIKDUERSA-N 410.835 1.964 0 50 HDAA COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)[C@@H](N)C1CCCCC1)CC2 95511547 GXUGWWKRTSPOPC-SFHVURJKSA-N 403.527 1.166 0 50 HDAA CN1CCOc2ccc(C(=O)NCc3ccc(C(=O)N4CCNC(=O)C4)cc3)cc21 225704579 YMYAWILNGGXNDU-UHFFFAOYSA-N 408.458 1.017 0 50 HDAA COC(=O)c1cn(C[C@@H](c2ccc(OC)cc2)N2CCOCC2)cc2c(=O)[nH]nc1-2 263588588 WANCUBODXSYFEI-SFHVURJKSA-N 412.446 1.545 0 50 HDAA COc1ncccc1C(=O)NC[C@@H]1CN(C2CCN(C3CCC3)CC2)C(=O)CO1 299755350 HUMXHXZDBRWUEM-QGZVFWFLSA-N 402.495 1.064 0 50 HDAA COc1ccc([C@@H]2C(C(N)=O)=C(C)N=c3s/c(=C\c4ccc(F)cc4)c(=O)n32)cc1 390834868 JTVAGKZZZPGJGV-DPWKNNTCSA-N 423.469 1.868 0 50 HDAA C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)N1CCC[C@]2(C1)NC(=O)NC2=O 434779939 XVOKJPDNRIYJKI-KZULUSFZSA-N 423.311 1.470 0 50 HDAA O=C(O)[C@@H]1CCCN(S(=O)(=O)N2CCCN(c3nc4ccccc4s3)CC2)C1 1506406966 SGVCQUWJHZLRSI-CQSZACIVSA-N 424.548 1.850 0 50 HDAA O=C(Cc1cccnc1)N1C[C@H]2CN(C(=O)c3ccc(F)cc3F)C[C@@]2(CO)C1 1772705601 YGAKPVSJTVZDQR-YCRPNKLZSA-N 401.413 1.495 0 50 HDAA O=C(CCc1cccnc1)NC[C@H]1CN(CC2CCN(CC3CC3)CC2)C(=O)CO1 1857685912 ZRAUECLSFBKXSL-NRFANRHFSA-N 414.550 1.480 0 50 HDAA COCCOCCN1CCC(N2C[C@@H](COc3ccc(F)cc3)OCC2=O)CC1 1857691824 FBVHPAVEPGVAFP-FQEVSTJZSA-N 410.486 1.559 0 50 HDAA Cc1ccoc1C(=O)NC[C@H]1[C@H]2CN(C(=O)CN3CCCCC3)C[C@]23CC[C@H]1O3 1857717547 YAVRCPGWIPBANQ-KCXPTXFHSA-N 401.507 1.810 0 50 HDAA COc1ccc([C@H]2NC(=O)CO[C@@H]2C(=O)N(C)Cc2c(C)noc2C)cc1OC 2100477091 DVIHKBOIVPGIOX-MOPGFXCFSA-N 403.435 1.523 0 50 HDAA COc1ccc(CC(=O)N2CCc3cc(S(=O)(=O)N4CCOCC4)ccc32)cc1 12421770 BLQSZKVOPSAUAP-UHFFFAOYSA-N 416.499 1.848 0 50 HDAA CCCCN1C[C@H](C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1=O 13844565 GHVNHFJVQKAZNF-OAHLLOKOSA-N 409.508 1.295 0 50 HDAA CC[C@@H](NC(=O)[C@@H]1CCCN(S(C)(=O)=O)C1)c1ccc(S(C)(=O)=O)cc1 65362408 YTDMOLQTOVPOGK-GDBMZVCRSA-N 402.538 1.329 0 50 HDAA CN(C)c1cncc(N2CCC(N3CCC[C@H](C(=O)N4CCOCC4)C3)CC2)n1 71736524 JPOUCNVJDWWKRB-KRWDZBQOSA-N 402.543 1.082 0 50 HDAA CN1CCN(S(=O)(=O)c2cc(C(=O)NCc3ccccn3)ccc2Cl)CC1 72139194 MCVLBROLJWMEIQ-UHFFFAOYSA-N 408.911 1.601 0 50 HDAA Cc1ncn(-c2cc(N3CCN(S(=O)(=O)c4cccc(F)c4)CC3)ncn2)c1C 72436889 GLJBRIOLBAHCMA-UHFFFAOYSA-N 416.482 1.929 0 50 HDAA O=C(Nc1ccc(F)cc1F)N1CCN(c2ccnc(N3CCOCC3)n2)CC1 72441720 CCVSZYCZNZXIHB-UHFFFAOYSA-N 404.421 1.946 0 50 HDAA NS(=O)(=O)c1ccc(C(=O)N2CCC3(CC2)Nc2ccccc2NC3=O)cc1 82166701 CKTYLRKFJSUHFG-UHFFFAOYSA-N 400.460 1.373 0 50 HDAA O=C(O)CN1C(=O)C2=C(c3ccccc3)N(CC(=O)O)C(=O)C2=C1c1ccccc1 221765322 KOWRWVZFXQEPIL-UHFFFAOYSA-N 404.378 1.663 0 50 HDAA Cc1cc(=O)c(C(=O)N[C@@]2(CCO)CCOC2)nn1-c1cccc(C(F)(F)F)c1 225567086 AVQFMYZETQFZDW-SFHVURJKSA-N 411.380 1.831 0 50 HDAA CCCOc1ccc([C@@H]2[C@H](C(=O)OC)C(=O)C[C@](C)(O)[C@@H]2C(=O)OC)cc1OC 239173858 OVBSUKWMFCUTJV-WIRSXHRWSA-N 408.447 1.870 0 50 HDAA O=C(C[C@H]1N=C(O)N(Cc2ccccc2Cl)C1=O)NCc1nnc2ccccn12 252539246 NXHDGWKUTVZXOT-CQSZACIVSA-N 412.837 1.714 0 50 HDAA COC(=O)c1cnc(O)c([C@@H](CC(N)=O)c2cc3cccc4c3n(c2=O)CCC4)c1O 253623855 QRXLSSCVHSMAQD-ZDUSSCGKSA-N 423.425 1.548 0 50 HDAA biogenic O=C1CCCc2c1cc(C(=O)N1CCN3C(=O)OC[C@@H]3C1)c(=O)n2-c1ccccc1 426421300 RYMXJLKHJHJDJS-HNNXBMFYSA-N 407.426 1.633 0 50 HDAA Cc1ccc(-c2noc(Cc3noc(CN(C)[C@@H]4CCS(=O)(=O)C4)n3)n2)cc1 809253880 IORAZTDOHNKVIE-CQSZACIVSA-N 403.464 1.638 0 50 HDAA CC(C)c1ccc(C(=O)N2CCCN(C(=O)[C@@H](C)N3CCCC3=O)CC2)c(O)n1 1529095742 VSQCXYAMWVNVKJ-OAHLLOKOSA-N 402.495 1.596 0 50 HDAA Cc1cc(CN2CCN(C)CC2)c(C)c(CN2C[C@@H]3COCC[C@]3(C(=O)O)C2)c1 1772711645 AUXGCWZIUSAOFM-GGAORHGYSA-N 401.551 1.974 0 50 HDAA CN1CCC[C@@]2(C(=O)N3CCCC3)CCN(C(=O)c3n[nH]c4c3COCC4)C[C@H]12 1857694605 FUHAUDKFFZHMJP-LAUBAEHRSA-N 401.511 1.031 0 50 HDAA CN(C)S(=O)(=O)N1CCCOc2cccc(c2)CC[C@@H]2CCCCN2C(=O)C1 1857702728 AXZLNJYEALSICR-SFHVURJKSA-N 409.552 1.891 0 50 HDAA O=C(N[C@@H]1CC[C@H](NS(=O)(=O)c2ccccc2)C1)c1cnnn1-c1ccccc1 1857710559 DBOGQZLENKBJSF-CVEARBPZSA-N 411.487 1.897 0 50 HDAA NS(=O)(=O)c1ccsc1C(=O)N[C@H]1C[C@H]2CO[C@@H](c3ccccc3)CN2C1 1857717997 JYGFPUQHBLSLDN-SOUVJXGZSA-N 407.517 1.340 0 50 HDAA CC(C)C(=O)N1CCCNC(=O)[C@@H]2C[C@@H]3CCCN3[C@@]23C(=O)N(CC1)c1ccccc13 1875242589 VPMPUPHBIXWMIE-WVMBUTMQSA-N 424.545 1.717 0 50 HDAA CC(C)(C)CC(=O)NCC(=O)N1CC[C@@H]2CN(C(=O)c3cccc4nc[nH]c34)C[C@@H]21 1875326990 OABCIXDMIRWKOR-PBHICJAKSA-N 411.506 1.788 0 50 HDAA CC(C)c1[nH]ccc1C(=O)N1CC(F)(F)C[C@@H]1CNC(=O)[C@@H]1NC(=O)[C@H]2CC[C@H]21 1875331526 LMSZAZXDMXIZBV-NFFDBFGFSA-N 408.449 1.629 0 50 HDAA COc1ccccc1[C@H](CNC(=O)C[C@]1(O)CCOC1)NC(=O)[C@H]1CC[C@H](C)C1 1875345321 WDYJPXWAMINECC-DSZJKHHPSA-N 404.507 1.946 0 50 HDAA CN(C)C(=O)c1ccc2c(c1)N(C)[C@@H](CC(=O)N(C)[C@H]1C[C@H]3C[C@@H](O)C[C@H]3C1)CO2 2100539827 ZVXDUGGOIPSPDZ-XCDZQEORSA-N 415.534 1.984 0 50 HDAA O=C(CCc1nc(Cl)n[nH]1)N1CCC[C@@]12CCCN(Cc1ccccn1)C2=O 2356140461 JUZGBYQRMRSOSL-LJQANCHMSA-N 402.886 1.970 0 50 HDAA Cc1ncc2c(n1)[C@@]1(CCCN(C(=O)COc3ccc(-n4cnnn4)cc3)C1)CC2 2356144565 DJZPQLOTWKASCE-NRFANRHFSA-N 405.462 1.646 0 50 HDAA CN(C)c1ncc2c(n1)[C@@]1(CCCN(c3cc(N4CCC(O)CC4)ncn3)C1)CC2 2356154544 ZNTOSICAKLVTMW-QFIPXVFZSA-N 409.538 1.778 0 50 HDAA CC(C)CN1CCNC(=O)[C@H]1CC(=O)N1CCN(c2ncnc3ccccc23)CC1 12718275 UQICUSSEVIQMCU-LJQANCHMSA-N 410.522 1.125 0 50 HDAA O=C(C[C@@H]1C(=O)NCCN1Cc1ccc(F)cc1Cl)NCc1nnc2n1CCC2 55211879 YHUACMWPQSXCBL-OAHLLOKOSA-N 420.876 1.024 0 50 HDAA O=C1NCCN(Cc2cccc(C(F)(F)F)c2)[C@@H]1CC(=O)N1CCSCC1 55341660 QOBFQBDSSKRSPQ-OAHLLOKOSA-N 401.454 1.971 0 50 HDAA Cc1ccc(C)c(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N3CCc5n[nH]cc5C3)[C@H]4C2=O)c1 77440064 UYEJSHGRRDBSAQ-XARGGIHNSA-N 418.497 1.893 0 50 HDAA COc1ccc(CN(C)Cc2ncc[nH]2)cc1OC[C@H](O)CN1CCN(C)CC1 95518858 AFHOOVQBRPSZCE-GOSISDBHSA-N 403.527 1.037 0 50 HDAA COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)Cc1cccc(F)c1)CC2 95522781 FBDBIVQIUMTHGY-UHFFFAOYSA-N 400.454 1.640 0 50 HDAA COc1ccc(CN2C(=O)N[C@H](CC(=O)NCCc3ccco3)C2=O)cc1OC 206245308 QDYZIWMDZRUMFR-OAHLLOKOSA-N 401.419 1.466 0 50 HDAA CO[C@H]1C[C@H](C(=O)N2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)N(C(C)=O)C1 225546961 OOCJDYBMJBXDRY-JKSUJKDBSA-N 408.886 1.548 0 50 HDAA Cc1noc(C)c1NC(=O)c1ccc(S(=O)(=O)N2C[C@@H]3C[C@H]4C[C@H]3[C@H]2[C@@H]4O)cc1 408521378 RAXGFPZTPPBLJE-GAIWEEKLSA-N 417.487 1.934 0 50 HDAA Cc1ccc(C(=O)N2CCC(NS(=O)(=O)N3CCC[C@H](C(=O)O)C3)CC2)cc1 670456214 UONVARYIJHBPDD-INIZCTEOSA-N 409.508 1.231 0 50 HDAA Cc1nc(-c2ccc(NC(=O)C3CCN([C@@H]4CCS(=O)(=O)C4)CC3)cc2)n[nH]1 827758260 CQKGSEPJNUZZBM-QGZVFWFLSA-N 403.508 1.618 0 50 HDAA CN(C)C[C@@]12CN(C(=O)C3CCCCC3)C[C@H]1CN(c1cnc(C(=O)O)cn1)C2 1800410758 ZUNPTHWRNGJKEZ-IIBYNOLFSA-N 401.511 1.582 0 50 HDAA NC(=O)Cc1nc(-c2ccc(N3CCOCC3)nc2)n(Cc2cccc(Cl)c2)n1 1857678366 WRKAYTMZRWEDHF-UHFFFAOYSA-N 412.881 1.906 0 50 HDAA CCCn1cnnc1CNC(=O)[C@@]12CCCN(Cc3ncc[nH]3)[C@H]1CN(C)CC2 1857680570 KZOPCZJJICBGEF-OXJNMPFZSA-N 400.531 1.014 0 50 HDAA 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NC(=O)C1=NO[C@@H](CNC(=O)c2csc(-c3cc(Br)cs3)n2)C1 170606001 JFWBYSJDXKQHRA-SSDOTTSWSA-N 415.294 1.994 0 50 HDAA O=C1NC(=O)[C@]2(CCCC[C@H]2NC(=O)c2ccc(S(=O)(=O)C3CCC3)cc2)N1 1875329025 ZJGBUJZVEBCWID-DNVCBOLYSA-N 405.476 1.263 0 50 HDAA COc1cccc(C[C@H](C(=O)Nc2cc(-c3n[nH]c(C)n3)ccn2)n2nnnc2C)c1 1875351330 SCGAWPHODPNHNE-QGZVFWFLSA-N 419.449 1.901 0 50 HDAA COc1ccc(CCNC(=O)CN(C)S(=O)(=O)c2cc(C)ccc2OC)cc1 2864454 ACKXWPCXQFQPBO-UHFFFAOYSA-N 406.504 1.992 0 50 HDAA COc1cc(OC)cc(C(=O)NC[C@@H]2CCCN(C(=O)CN3CCCCC3=O)C2)c1 12459652 DCARGCPELIXMHA-INIZCTEOSA-N 417.506 1.685 0 50 HDAA CCCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@@H](N1CCN(C=O)CC1)C2 14741756 SDFJUFKRPFGWOU-GOSISDBHSA-N 401.555 1.941 0 50 HDAA O=C(NCCn1cnc2ccccc2c1=O)[C@H]1CC(=O)N(c2n[nH]c3ccccc23)C1 169772785 MWBQFELYEJHWMW-AWEZNQCLSA-N 416.441 1.442 0 50 HDAA COC(C)(C)C(=O)CSc1nnnn1-c1c(C)n(C)n(-c2ccccc2)c1=O 253393277 YAITUQVDLWJHCK-UHFFFAOYSA-N 402.480 1.546 0 50 HDAA Cn1ccnc1CN1C[C@@H]2CN(C(=O)c3csc4c3CCCC4)C[C@]2(CO)C1 1772809581 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422.510 1.840 0 50 HDAA O=C(Nn1cnnc1)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(F)cc1 949191 QHLLGFWEWUQOBM-KRWDZBQOSA-N 401.423 1.303 0 50 HDAA CCOC(=O)Cn1c(=O)c2c(nc3n(-c4cccc(Cl)c4)c(C)cn23)n(C)c1=O 4250667 SCBWDVYBQDHHFI-UHFFFAOYSA-N 415.837 1.664 0 50 HDAA Cn1cc(S(=O)(=O)N2CCCC2)cc1C(=O)N1CCN(c2ccccc2)CC1 6781578 BAFHYGNNZZOSFU-UHFFFAOYSA-N 402.520 1.772 0 50 HDAA COc1cc(OC)cc(C(=O)NC[C@H]2CCCN(S(=O)(=O)c3cccnc3)C2)c1 11821371 QKRXLYISHVHBHE-OAHLLOKOSA-N 419.503 1.930 0 50 HDAA Cc1nn(C)c(C)c1CN(C(=O)C[C@@H]1C(=O)NCCN1Cc1cccs1)C1CC1 14966319 KYJVAYNYNNTYOC-LJQANCHMSA-N 415.563 1.980 0 50 HDAA Cn1c(CN2CCOCC2)nnc1SCC(=O)Nc1ccc(OC(F)F)cc1 19799612 KTZXCYBLYTZBDU-UHFFFAOYSA-N 413.450 1.980 0 50 HDAA CC[C@H](C)n1c(C)c(C)n2c3c(=O)n(CCN4CCOCC4)c(=O)n(C)c3nc12 20062005 KVZYILNBDGLKEO-ZDUSSCGKSA-N 402.499 1.069 0 50 HDAA CN(Cc1cccnc1)C(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(c4ccc(CCO)cc4)C(=O)[C@H]13)O2 77286880 RDSCUXIWOZCMNU-XARGGIHNSA-N 419.481 1.561 0 50 HDAA CCCCN1CCN([C@@H](C(=O)NCc2nccs2)c2ccccc2)C(=O)C1=O 77536157 NDLIFAHDOHOSEJ-QGZVFWFLSA-N 400.504 1.972 0 50 HDAA CCOC(=O)[C@](C)(O)[C@@]1(C(=O)OC(C)(C)C)OC(C)(C)O[C@@H]1C(=O)OC(C)(C)C 101083086 YFDJFTNNEABDGO-OITMNORJSA-N 418.483 1.874 0 50 HDAA Cc1noc(C)c1C[C@@H](C)C(=O)N(CC(F)F)C1CCN(S(C)(=O)=O)CC1 225761330 LCLNPTZQZMWCQR-LLVKDONJSA-N 407.483 1.988 0 50 HDAA COc1cc2ncn(CC(=O)NC[C@@H]3CCCN4CCCC[C@@H]34)c(=O)c2cc1OC 226848353 BMCMFXYLUJCSQB-YJBOKZPZSA-N 414.506 1.794 0 50 HDAA O=C(Cn1oc(-c2ccccc2)nc1=O)N1CCN(C(=O)Nc2ccccc2)CC1 253419390 RNYCZFNEZHRKND-UHFFFAOYSA-N 407.430 1.880 0 50 HDAA O=C(N[C@H]1C2CN3CCN(C2)CC1(c1ccccc1)C3)c1scc2c1OCCO2 670448938 LKEDVPOREJCFRQ-BGWLNWIQSA-N 411.527 1.817 0 50 HDAA O=C1C[C@@H](C(=O)N2CCN(c3ncnc4ccccc34)CC2)CN1Cc1ccncc1 827695811 FFSNHZRYVKZMFE-GOSISDBHSA-N 416.485 1.722 0 50 HDAA CCc1nccn1C[C@H](C)N1CCc2nc(N(C)C)nc(N3CCC(O)CC3)c2C1 1506403513 CBHQVMLOMJLEAS-INIZCTEOSA-N 413.570 1.709 0 50 HDAA Cc1ncsc1CN1C[C@@H]2CN(C(=O)c3cnn4ccn(C)c34)C[C@@]2(CO)C1 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DSSUXRBZXOHJEO-UHFFFAOYSA-N 418.479 1.063 0 50 HDAA CCn1ccc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3cn(CC)nc3C)C2)n1 2802487 CSNJZNSCYUILKF-OAHLLOKOSA-N 408.528 1.145 0 50 HDAA CN1CCN(C(=O)C(C(=O)N2CCN(C)CC2)C23CC4CC(CC(C4)C2)C3)CC1 4006160 ZPVSAIGIVADRQH-UHFFFAOYSA-N 402.583 1.367 0 50 HDAA CCn1nc(C)c(CNC(=O)C[C@H]2C(=O)NCCN2Cc2cccc(F)c2F)c1C 14970371 WPPHNWOYJNQLBC-SFHVURJKSA-N 419.476 1.805 0 50 HDAA CCn1ccnc1CNC(=O)c1ccccc1OC1CCN(C(=O)COC)CC1 15078107 UWZMRSKSEDTTSE-UHFFFAOYSA-N 400.479 1.849 0 50 HDAA CCN1CCN(CCCN2CC3(CCN(C(=O)[C@H]4CC4(C)C)CC3)OC2=O)CC1 77504938 YDLHUNCBFYCZDA-GOSISDBHSA-N 406.571 1.874 0 50 HDAA COc1ccc(CNC(=O)CC[C@H]2CCCN(C(=O)c3ncn[nH]3)C2)c(OC)c1 95508254 CPJLSZWMJRLAGW-CQSZACIVSA-N 401.467 1.771 0 50 HDAA Cn1c(S)nnc1CCNC(=O)Nc1ccc(S(=O)(=O)NCC2CC2)cc1 253425428 TZKMBHHEICUUFC-UHFFFAOYSA-N 410.525 1.156 0 50 HDAA O=C(c1ncn2c1CO[C@@H](c1ccccc1)C2)N1CCC(C(=O)N2CCOCC2)CC1 263619273 XVSMCQFPOYSRMF-HXUWFJFHSA-N 424.501 1.866 0 50 HDAA Cc1nc2ccccc2n1C1CCN([C@@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)CC1 482905937 UKUAPXDNUWGBSW-ZDUSSCGKSA-N 424.505 1.233 0 50 HDAA C[C@@H]1[C@@H](NC(=O)N2CCc3nnc(N4C[C@@H]5CN(C)C[C@@H]5C4)cc3C2)CCCN1C 952890556 CNUKVNRPCUBHPZ-YSHGAJCASA-N 413.570 1.025 0 50 HDAA O=C(c1c(N2CCOCC2)noc1-c1ccccc1)N1C[C@@H](CO)C[C@@H](CO)C1 1704311259 BNNMSCHQSCLRQX-IYBDPMFKSA-N 401.463 1.241 0 50 HDAA CN(C)C[C@@H]1OCCN(C(=O)c2cn3cc(Cl)ccc3n2)[C@H]1c1cnn(C)c1 1857711882 HJAFFAGOTRIZBF-WMZOPIPTSA-N 402.886 1.865 0 50 HDAA Cc1ccc(C(=O)N2CC3(CCOCC3)C[C@H]2CNC(=O)c2cnnc(O)c2)cc1 1875358754 JBFVBTYZXQLZFC-SFHVURJKSA-N 410.474 1.932 0 50 HDAA C[C@@H]1CN(C(=O)C(=O)N2CCN(c3ccncc3)[C@H](C)C2)CCN1c1ccncc1 2325770407 TZZOCGKJWYUEHL-QZTJIDSGSA-N 408.506 1.251 0 50 HDAA CN(C)c1ncc(Br)cc1C(=O)NC[C@@H]1CC2(CCNCC2)C(=O)O1 2325854369 AEKIZNQLGCZFMO-LBPRGKRZSA-N 411.300 1.325 0 50 HDAA O=C(N[C@@H](C(=O)O)c1ccccc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 3866375 MTCIQFSSWMOBQI-QGZVFWFLSA-N 404.444 1.263 0 50 HDAA O[C@H](COc1cccc(CN2CCN(c3ccccn3)CC2)c1)CN1CCOCC1 20453448 QELPPQJTHANHPX-NRFANRHFSA-N 412.534 1.476 0 50 HDAA COc1ccc(CNCCc2ccccn2)c(OC[C@H](O)CN2CCN(C)CC2)c1 20782306 CACTYZMDZSAGRV-OAQYLSRUSA-N 414.550 1.410 0 50 HDAA Cc1nc(N2CCOCC2)cc(N2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)n1 21793869 HMWVMVPWDAEMJH-UHFFFAOYSA-N 411.462 1.313 0 50 HDAA CN(Cc1cnccn1)C(=O)C[C@H]1C(=O)NCCN1Cc1c(F)cccc1Cl 55269539 KIGNWPHXDMXMDD-KRWDZBQOSA-N 405.861 1.618 0 50 HDAA O=C1NCCN(Cc2cccnc2)[C@H]1CC(=O)N1CCOc2ccc(Cl)cc2C1 55283283 SBEULUFPQAXBSC-SFHVURJKSA-N 414.893 1.847 0 50 HDAA Cn1ccnc1C(=O)c1ccc(NC(=O)C[C@@H]2NC(=O)c3ccccc3NC2=O)cc1 206242169 RLBNPKOPQDKRCJ-KRWDZBQOSA-N 417.425 1.730 0 50 HDAA CC[C@H]1CN(S(=O)(=O)c2ccc(NS(=O)(=O)N(C)C)cc2)CCN1C(C)C 952982263 NYIXDOSEQHATKI-INIZCTEOSA-N 418.585 1.398 0 50 HDAA COc1ccc([C@@H](C(=O)O)N2CCCN(S(=O)(=O)N3CCCCC3)CC2)cc1 1506408590 UCBFMXWVLFUSEM-SFHVURJKSA-N 411.524 1.559 0 50 HDAA COc1ccc(S(=O)(=O)NCC[C@@H]2CCC(=O)N2CCN(C)C)cc1Cl 1506415359 WXPSQWNGDJATGK-ZDUSSCGKSA-N 403.932 1.570 0 50 HDAA Cc1nonc1OCCNC(=O)c1cn2c(n1)CCN(C1CCSCC1)CC2 1940196133 MRMSJMGLYGRTKO-UHFFFAOYSA-N 406.512 1.137 0 50 HDAA O=C(NCc1cccc(N2CCCCC2=O)c1)C(=O)N1CCC[C@H](c2cc[nH]n2)C1 2325711820 JQDKMAYURQIRGD-KRWDZBQOSA-N 409.490 1.949 0 50 HDAA Cn1[nH]c(=NCC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)c2ccccc21 2325776670 JGALQHRWEFAKHV-UHFFFAOYSA-N 407.474 1.196 0 50 HDAA O=C(O)c1ccccc1C(=O)N(CCS(=O)(=O)N1CCCC1)Cc1ccncc1 9303784 WCOJGKPUNIEQJY-UHFFFAOYSA-N 417.487 1.848 0 50 HDAA Cc1cc(N2C(=O)[C@H](C)CS2(=O)=O)ccc1S(=O)(=O)N1CCC(C)CC1 11998011 ONJOJTHIFQYEKZ-CQSZACIVSA-N 400.522 1.728 0 50 HDAA O=C(O)/C=C/C(=O)OCCCCCCOC(=O)/C=C/C(=O)OCCCCCCO 22023125 QUSBYVXQNYEOCB-HULFFUFUSA-N 414.451 1.926 0 50 HDAA CSCC[C@@H](NC(=O)CN1C(=O)CC2(CCCC2)C1=O)c1nnc2ccccn12 252537478 LIJMVFAPEHZECE-CQSZACIVSA-N 415.519 1.959 0 50 HDAA O=C(Nc1cccc(S(=O)(=O)N2C[C@@H]3C[C@H]4C[C@H]3[C@@H]2[C@H]4O)c1)c1cnccn1 408521591 ZSDCQBORCUMDAR-XZNUQZSUSA-N 400.460 1.119 0 50 HDAA C[C@@H]1CN(c2ccc(CNC(=O)Nc3ccn(Cc4ccncc4)n3)cn2)CCO1 438355319 MIAQMMZYTIUQNV-MRXNPFEDSA-N 407.478 2.268 0 50 HDAA COc1ccccc1N1CCN(C(=O)Nc2ccnn2[C@H]2CCS(=O)(=O)C2)CC1 482811414 TVVFULZWCBVQLH-HNNXBMFYSA-N 419.507 1.605 0 50 HDAA NC(=O)C[C@@H](NC(=O)c1ccccc1Cl)C(=O)NCc1nc2ccc(F)cc2[nH]1 791373163 HEGJXZPMLGQUJB-OAHLLOKOSA-N 417.828 1.646 0 50 HDAA CC(=O)NC1CCC(N(C)c2ncnc3c2ncn3C2CC(CO)(CO)C2)CC1 888097791 OPCNZMSPKBVLQK-UHFFFAOYSA-N 402.499 1.016 0 50 HDAA O=C(Nc1ccc(OCC(=O)N2CCOCC2)cc1)c1cccc(-n2cnnc2)n1 952969220 AKIHMNKBYILZID-UHFFFAOYSA-N 408.418 1.152 0 50 HDAA CCC(=O)N1CCC(C(=O)NC23C[C@@H]4C[C@H](C2)CC(n2nnc(C)n2)(C4)C3)CC1 952985357 RWTKHIGJMFRSHJ-XBLGPDGASA-N 400.527 1.794 0 50 HDAA CCc1ncc(C(=O)NC[C@@H]2CCCN(CC(=O)NCc3cccs3)C2)cn1 952990079 KEIXTUZDHKBJPC-HNNXBMFYSA-N 401.536 1.859 0 50 HDAA CC[C@@]1(C(=O)N2CCOC(C)(C)C2)C[C@@H]2CC[C@H]1N2C(=O)c1ccn(C)c(=O)c1 1857670697 AMKMMAPKNLOZMP-GSHUGGBRSA-N 401.507 1.796 0 50 HDAA CSCC(=O)N1C[C@H]2CN(C(=O)c3ccccc3-c3ncc[nH]3)C[C@]2(CO)C1 1857699112 OMWVTEMLFRFPFY-XOBRGWDASA-N 400.504 1.333 0 50 HDAA CCc1noc(CN2CC3(CCN(c4nccc(OC)n4)CC3)OCCC2=O)n1 1857722423 HPAULOQKSLOMKL-UHFFFAOYSA-N 402.455 1.219 0 50 HDAA COC(=O)c1cc2c(=N[C@@H](C)CCNC(=O)[C@H]3CC(C)(C)CN3C)nc[nH]c2[nH]1 1875327908 PHAKJIAMWUBDRG-SWLSCSKDSA-N 402.499 1.203 0 50 HDAA Cc1cn2cc(C(=O)N(C)[C@@H](CNC(=O)C[C@H]3CCC(=O)N3)C3CC3)sc2n1 2325823667 ACQWOSFFSDDYAE-KGLIPLIRSA-N 403.508 1.340 0 50 HDAA CN1C(=O)CN(NC(=O)/C=C/c2cn(-c3ccccc3)nc2-c2cccnc2)C1=O 2325879261 OLXUIKGPGNAPFT-MDZDMXLPSA-N 402.414 1.873 0 50 HDAA O=C1CC[C@@H](N2Cc3cc(C(=O)N4CCC[C@H]4c4ncccn4)ccc3C2=O)C(=O)N1 2325896362 XAXGRKAWVGAFLQ-DLBZAZTESA-N 419.441 1.215 0 50 HDAA COC(=O)COc1ccc(S(=O)(=O)NCCc2ccc(OC)c(OC)c2)cc1 1146785 RFOVYOYCZIKQDY-UHFFFAOYSA-N 409.460 1.777 0 50 HDAA O=C(O)Cn1cc(I)c(=O)c(I)c1 3830941 PVBALTLWZVEAIO-UHFFFAOYSA-N 404.929 1.142 0 50 HDAA in-man COc1ccc(C(=O)NC[C@@]23C=C[C@@H](O2)[C@H]2C(=O)N(Cc4ccccc4)C(=O)[C@@H]23)cc1 4005872 FIWVFKGPAZUXEL-DBYOASNMSA-N 418.449 1.934 0 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VPBUARXLAFWWAZ-OFNKIYASSA-N 417.550 1.626 0 50 HDAA CSCC(=O)N1C[C@@H]2CN(C(=O)Cc3cccc(F)c3)C[C@]2(CCC(=O)O)C1 1772807676 RFYNDPRJTMWVQV-MGPUTAFESA-N 408.495 1.883 0 50 HDAA NC(=O)Cc1nc(CCCc2nc3ccccc3s2)n([C@@H]2CCS(=O)(=O)C2)n1 1857676184 PKYGIIRKSVIBGL-GFCCVEGCSA-N 419.532 1.451 0 50 HDAA O=C(c1ccncc1)N1CC[C@@H]2C[C@@H](N3CCOCC3)CC[C@@]2(C(=O)NC2CC2)C1 1857698856 LPXWPVHQDXMVGV-QMHWCDLVSA-N 412.534 1.693 0 50 HDAA CC(C)N1CCO[C@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H]2CCCO[C@H]2C)C1 1875316663 FVPPSNHLOFJJKE-GXUNQHPWSA-N 407.555 1.549 0 50 HDAA CCn1c(O)nc2cc(C(=O)N[C@H]3CCN(C(=O)c4ccc(F)cc4)C3)ccc2c1=O 2325864048 FNGQVAXSKQVGLG-INIZCTEOSA-N 424.432 1.906 0 50 HDAA CC(C)N1CC[C@@H](N2CCC3(CCc4c(O)nc(N5CCOCC5)nc43)CC2)C1 2356151130 TVQCVAALNRDUJW-QGZVFWFLSA-N 401.555 1.781 0 50 HDAA CCN(CC)CCN1C(=O)[C@@]2(SC(NC(C)=O)=NN2C(C)=O)c2cc(C)ccc21 2434103 AWIQZFLTRWEGHB-FQEVSTJZSA-N 417.535 1.839 0 50 HDAA COc1cc(O)ccc1CN1CCc2nnc([C@@H](NS(C)(=O)=O)C(C)C)n2CC1 14885581 KYCQEZSTDUCVIQ-SFHVURJKSA-N 423.539 1.297 0 50 HDAA O=C([C@H]1CCCN(C2CCN(S(=O)(=O)c3cccnc3)CC2)C1)N1CCCC1 71746530 HYLGUISYNLKTMI-KRWDZBQOSA-N 406.552 1.569 0 50 HDAA Cc1ccc(CCN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N3CCc5n[nH]cc5C3)[C@@H]4C2=O)cc1 77394416 AGKFGJLCQVLCQC-BLRYILKCSA-N 418.497 1.628 0 50 HDAA CCN1CCN(C(=O)[C@@H]2CCCN(C3CCN(Cc4cccnc4)CC3)C2)CC1=O 82116089 HFVRKXYJIVAGQU-HXUWFJFHSA-N 413.566 1.449 0 50 HDAA COc1cccc([C@]2(CC(=O)N3C[C@H]4CC[C@H]3C4)CC(=O)N(CCN(C)C)C2=O)c1 104443387 NJODJHOBJUASDC-TXBYWVTISA-N 413.518 1.655 0 50 HDAA CC[C@@H](CCO)CNS(=O)(=O)C[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 253431934 YOHYPUVTFOLTKM-WMZOPIPTSA-N 414.524 1.352 0 50 HDAA O=C(Nc1cc2nc(O)[nH]c2cc1N1CCCC1)c1cn(C[C@@H]2CCCNC2)nn1 952975217 MLFYWXZGIFLIMF-CYBMUJFWSA-N 410.482 1.712 0 50 HDAA CS(=O)(=O)N1C[C@@H]2[C@H](CNC(=O)c3cnc4ccccc4c3)[C@H]3CC[C@]2(C1)O3 1704338449 ATRRXZWXIBZNPM-IXIUHKBRSA-N 401.488 1.404 0 50 HDAA CN(C)C[C@]12CN(C(=O)Cc3cccnc3)C[C@@H]1CN(C1CSCCSC1)C2 1772813026 SZMXQRAIIDLOGV-RXVVDRJESA-N 420.648 1.795 0 50 HDAA O=C(O)CC[C@]12CN(Cc3ccccc3F)C[C@@H]1CN(C(=O)c1n[nH]c(O)n1)C2 1772818894 NAERRNLODLCWPG-BFUOFWGJSA-N 403.414 1.088 0 50 HDAA CN1CCO[C@@H](C(=O)N2CCC3(CCc4c(O)nc(-c5ccccc5)nc43)CC2)C1 1857722974 RZAYHQBQGAHSIG-GOSISDBHSA-N 408.502 1.986 0 50 HDAA CN1CCC(O)(C(=O)N2CCC[C@]3(CCc4c(O)nc(C(C)(C)C)nc43)C2)CC1 1857728280 UZWLFJQRYPECIB-NRFANRHFSA-N 402.539 1.743 0 50 HDAA COC(=O)C1CCC(NC(=O)[C@@H](C)NC(=O)c2ccccc2Cl)(C(=O)OC)CC1 1875255864 VYJAPHXOCIGILQ-CIQOGTPDSA-N 424.881 1.850 0 50 HDAA CCOC(=O)N1CCN(C(=O)[C@H](C)N(c2ccc(OC)cc2)S(C)(=O)=O)CC1 886952 VENPBLPLOAPSQQ-AWEZNQCLSA-N 413.496 1.150 0 50 HDAA O=C(NCc1ccc(-n2cncn2)cc1)[C@@H]1CCC(=O)N(CCCN2CCCC2=O)C1 12469694 NPIXQINDXUWGKO-GOSISDBHSA-N 424.505 1.135 0 50 HDAA CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccc(C(=O)OC)nn2)ccc1C 225591462 ZYPAMQVCYAQKNK-UHFFFAOYSA-N 406.464 1.854 0 50 HDAA O=C1N[C@H](CC(=O)N2CCC[C@@H](c3nnc4ccccn34)C2)C(=O)Nc2ccccc21 409413170 CFRCXCORASKXJQ-RHSMWYFYSA-N 418.457 1.576 0 50 HDAA CC1(C)CNC(=O)C2(CCN(C(=O)[C@H]3CC(=O)Nc4ccc(F)cc43)CC2)NC1 1772804604 BEJHIMPRFLVLEO-HNNXBMFYSA-N 402.470 1.358 0 50 HDAA Cc1ccc(F)c(CN2CCC[C@@]3(C(=O)NCCn4ccnn4)CCN(C)C[C@H]23)c1 1857674617 QCGHOQUDMILGGW-RBBKRZOGSA-N 414.529 1.828 0 50 HDAA Cn1cc([C@H]2[C@H](CN3CCCCC3)OCCN2C(=O)CN2CCCCC2=O)cn1 1857719211 HCBNYYJGVYPSMY-RXVVDRJESA-N 403.527 1.187 0 50 HDAA CCc1nnc(N2C[C@H](C(=O)NC3CCN(C4CCOCC4)CC3)CC2=O)s1 1857728064 LNPIUQGURBDXSM-CYBMUJFWSA-N 407.540 1.213 0 50 HDAA CC(=O)N1CC(=O)N2[C@@H](C[C@H](C(=O)NCCc3ccc(O)cc3)[C@@H]2CC(C)C)C1 1875241019 LOEGPSSHVZJZGA-IHPCNDPISA-N 401.507 1.545 0 50 HDAA CN(C)Cc1nc(C(=O)N2CC[C@](Cc3ccccc3)(C(=O)O)[C@H](O)C2)cs1 1940195150 GJGRXJUFZLKOGO-OXQOHEQNSA-N 403.504 1.725 0 50 HDAA Cn1ncc2c1CCN(S(C)(=O)=O)[C@H]2C(=O)NC1(c2ccc(F)cc2F)CCC1 2325828495 IPBJNXHTKBQQCM-QGZVFWFLSA-N 424.473 1.753 0 50 HDAA CC(C)CC[C@H]1[C@H]2C[C@H](CN(C(=O)CC[C@@H]3NC(=O)NC3=O)C2)c2cccc(=O)n21 2356153854 XSCJNWQWWLQQKB-CVYDXHPNSA-N 414.506 1.760 0 50 HDAA O=C(Cn1c(=O)oc2ccccc21)N1CCc2nnc(Cc3ccccc3)n2CC1 12279448 BBXUBBMQWSZGIR-UHFFFAOYSA-N 403.442 1.862 0 50 HDAA COC(=O)CCCC(=O)N1CCC[C@@H](CNS(=O)(=O)c2ccc(OC)cc2)C1 12439140 ZWDWKSVJKFPWEJ-HNNXBMFYSA-N 412.508 1.555 0 50 HDAA COC(=O)CN(C)C(=O)c1cc(NC2CCC2)cc(S(=O)(=O)N2CCCC2)c1 14533668 JYAKFBABZCAQBR-UHFFFAOYSA-N 409.508 1.681 0 50 HDAA Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CC=CC[C@@H]3C(=O)O)CC2)cc1C 17087360 STFKPANHYKMSDT-ROUUACIJSA-N 406.504 1.803 0 50 HDAA COCC1CCN(Cc2ccc(OC)c(OC[C@H](O)CN3CCN(C)CC3)c2)CC1 22926247 HSTCEPYDGGAIEK-OAQYLSRUSA-N 421.582 1.541 0 50 HDAA Cc1cc(CNC(=O)C[C@@H]2C(=O)NCCN2Cc2ccccc2C(F)(F)F)nn1C 53193327 UQMSHTFRGBSHAX-QGZVFWFLSA-N 423.439 1.754 0 50 HDAA CCc1nc(C)cc(N2CCC(N3CCC[C@@H](C(=O)N4CCOCC4)C3)CC2)n1 71749742 ZCTDXFJAKNLBTD-GOSISDBHSA-N 401.555 1.887 0 50 HDAA CCN1CCN(C(=O)[C@@H]2[C@@H]3C=C[C@@]4(CN(Cc5cccc(OC)c5)C(=O)[C@@H]24)O3)CC1 77459050 GRNQMGHBSJTIAF-VAWZGJIGSA-N 411.502 1.141 0 50 HDAA Cc1cn(CCNC(=O)[C@H]2CCCN(C3CCN(Cc4cccnc4)CC3)C2)nn1 82162721 KPRZAJKGZMLWFN-FQEVSTJZSA-N 411.554 1.474 0 50 HDAA CN1CCC(N(C)C(=O)CC[C@@H]2CCCN(C(=O)CCc3ccnn3C)C2)CC1 95526869 JZDFSVSZDPEPRP-SFHVURJKSA-N 403.571 1.924 0 50 HDAA CN1[C@H]2CC[C@H]1CN(C(=O)C(=O)NC[C@H](c1ccc(F)cc1)N1CCOCC1)CC2 241326069 LZAVMJJOVUWPKG-SLFFLAALSA-N 418.513 1.010 0 50 HDAA CN1CCN2c3ccccc3C[C@@]3(C(=O)NC(=O)N(c4ccc(F)cc4)C3=O)[C@H]2C1 245329447 ZCGAAJZZWYCMKO-GCJKJVERSA-N 408.433 1.772 0 50 HDAA CS(=O)(=O)Nc1ccc(F)cc1C(=O)N1CC[C@@]2(C1)C(=O)Nc1ccccc12 681752354 DHSRFKDDLQPWQV-IBGZPJMESA-N 403.435 1.933 0 50 HDAA Cc1ccc(C)c(OCCc2nnc(NC(=O)CN3C(=O)CN(C)C3=O)s2)c1 1529174421 RSXZCOGLXSRHML-UHFFFAOYSA-N 403.464 1.609 0 50 HDAA O=S(=O)(N[C@H]1C[C@H]2CO[C@@H](c3ccc(Cl)cc3)CN2C1)C1CCOCC1 1857683741 WTKDHQSVMZESGG-XYJFISCASA-N 400.928 1.953 0 50 HDAA CN(CC(=O)N[C@H]1CCC[C@H]1NC(=O)C1=CS(=O)(=O)CCC1)c1ccccc1 2325860577 LWQNGRNWYBHCGB-ZWKOTPCHSA-N 405.520 1.369 0 50 HDAA CCN1C[C@H](C(=O)N2CCCC[C@@H](NC(=O)c3ccc(N)cc3F)C2)CCC1=O 2325864760 ZFEYCSMGIHNHFB-GDBMZVCRSA-N 404.486 1.777 0 50 HDAA COc1ccc(S(=O)(=O)N2CCN(C(=O)COc3cccc(C)c3)CC2)cc1 1201520 GPSNUFWJEYHEFA-UHFFFAOYSA-N 404.488 1.916 0 50 HDAA CCOc1ccc(N2C[C@H](C)Cn3c2nc2c3c(=O)n(CCCO)c(=O)n2C)cc1 2346164 UGGBRNMNDUBGSB-AWEZNQCLSA-N 413.478 1.466 0 50 HDAA O=C(N[C@@H]1CCS(=O)(=O)C1)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 4276351 FEZPNUQBMVVVFT-OAHLLOKOSA-N 400.522 1.168 0 50 HDAA CCN(CC)c1nc(Oc2ccc(=O)n(-c3ccccc3)n2)nc(N2CCOCC2)n1 4851380 FOYQGQYSRKABEN-UHFFFAOYSA-N 423.477 1.893 0 50 HDAA CCn1nc(C(=O)N2CCN(C)CC2)c2c1CC[C@H](NCc1ccccc1OC)C2 14539297 JBPPNQFIJJLEKD-SFHVURJKSA-N 411.550 1.946 0 50 HDAA COc1ccc(CN2CCC[C@H](n3cc(C(=O)N(C)CCO)nn3)C2)c(C)c1C 14990865 UUCAHNPQVBRKPI-SFHVURJKSA-N 401.511 1.805 0 50 HDAA O=C(NCc1coc(-c2ccccc2)n1)[C@@H]1CCC(=O)N(CCN2CCOCC2)C1 20600927 XWBCRAXLMLAKRC-GOSISDBHSA-N 412.490 1.529 0 50 HDAA O=C(C[C@@H]1C(=O)NCCN1Cc1cccc(F)c1)NCCCCCN1CCOCC1 20996790 VAEHWVYETIOGIZ-HXUWFJFHSA-N 420.529 1.135 0 50 HDAA COc1cc(CN2CCN(C(C)C)CC2)ccc1OC[C@H](O)CN1CCC(O)CC1 23360606 YFZINOWMKNXLDK-OAQYLSRUSA-N 421.582 1.418 0 50 HDAA O=C(CN1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)Nc1ccc(Cl)cn1 35800969 GGKJLJXPCVMREL-UHFFFAOYSA-N 412.874 1.819 0 50 HDAA CCS(=O)(=O)N1CCC[C@H](C(=O)NCc2ccccc2CN2CCOCC2)C1 72434144 DHNHEKMITOAEAM-IBGZPJMESA-N 409.552 1.197 0 50 HDAA O=C(CN1CCN(C(=O)COc2cncc(Cl)n2)CC1)Nc1ccc(F)cc1 170600150 JGSQGWCZTVRLLU-UHFFFAOYSA-N 407.833 1.431 0 50 HDAA Cc1ccc(Oc2nc3c(c(=O)[nH]c(=O)n3C)n2C[C@@H](O)COc2ccccc2)cc1 170624373 FSYPOLSUYVQQFC-OAHLLOKOSA-N 422.441 1.964 0 50 HDAA C[C@H](Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)c1ccccc1Cl 225536739 UQZKYRIIOYXZDD-YBGGAFRISA-N 405.842 1.264 0 50 HDAA O=C(Cc1ccccn1)NC[C@H]1CN(CC2CCN(CC3CC3)CC2)C(=O)CO1 299778901 IPDKKLSWZDDOEK-FQEVSTJZSA-N 400.523 1.090 0 50 HDAA CN1CC(=O)N(CC(=O)NCC2CCN(CC3=CC[C@H]4C[C@@H]3C4(C)C)CC2)C1=O 827827519 ZFJTTXFXFDYICY-ROUUACIJSA-N 402.539 1.701 0 50 HDAA Cc1ccnc(SCC(=O)N2CCC[C@@H](CNC(=O)Cn3ccnc3C)C2)n1 952867837 TWCOOZVXDVZBKB-INIZCTEOSA-N 402.524 1.437 0 50 HDAA CO[C@@H]1CC[C@H](C(=O)N2CCc3n[nH]cc3C2)C[C@H]1NC(=O)c1csc(C)n1 1857687167 PIUCBGOMJHJDBJ-XGWLTEMNSA-N 403.508 1.673 0 50 HDAA CCOc1ccc2nc(N3C[C@H](C(=O)NCCn4cncn4)CC3=O)sc2c1 1857715317 MDIPPZFMZHXDTB-GFCCVEGCSA-N 400.464 1.456 0 50 HDAA CC[C@H]1[C@@H](C(=O)NCc2ccccc2)C[C@H]2CN(C(=O)c3cncn3C)CC(=O)N21 1857718777 SHAPVTTZSFXBAP-BZSNNMDCSA-N 409.490 1.188 0 50 HDAA Cc1nonc1C(=O)N1C[C@@H]2[C@H](CNC(=O)c3ccc(F)cc3)[C@H]3CC[C@]2(C1)O3 1857732890 LQXSBTZRDLDHJO-QCBUCWTNSA-N 400.410 1.567 0 50 HDAA COc1cccc(CN2CCO[C@@H](c3nnnn3C)C2)c1OCCCn1ccnc1 2100537794 WKFMNVHBDKFFCM-GOSISDBHSA-N 413.482 1.458 0 50 HDAA CSc1ccc(S(=O)(=O)NC(=O)c2cn(CC[C@@H]3CCCCN3)nn2)cc1 2325839789 FBJYXDUWSYEWGO-ZDUSSCGKSA-N 409.537 1.651 0 50 HDAA O=C(N[C@@H]1COC2(C1)CN(C(=O)c1ccccn1)C2)c1ccc(-c2cc[nH]n2)s1 2325872016 DYBMZTGOXHQDGB-ZDUSSCGKSA-N 409.471 1.947 0 50 HDAA C=CC(=O)N1CCC[C@H](C(=O)N2CCc3c(cccc3NS(=O)(=O)CC)C2)C1 2325889526 VHBKAIYOIRZCJT-INIZCTEOSA-N 405.520 1.758 0 50 HDAA Cc1ccc(S(=O)(=O)N2CCN(C(=O)C[C@H](C)n3nc(C)nc3C)CC2)cc1 8844832 BXHMUIFDBHVBEB-HNNXBMFYSA-N 405.524 1.688 0 50 HDAA O=C(NCc1ccccn1)C1CCN(C(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)CC1 11091918 ANEWEOXQMZUWMW-GOSISDBHSA-N 406.486 1.990 0 50 HDAA CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)C[C@H](C)c3ccccc3)[C@@H]2SC1 13959951 NFWOAGOKRSGCBI-UTLVKMTRSA-N 418.471 1.482 0 50 HDAA COc1cccc([C@H]2CCCCN2C(=O)Cn2nnnc2CN2CCOCC2)c1 19229371 UMEYTNHQHXJAHO-GOSISDBHSA-N 400.483 1.268 0 50 HDAA CC(=O)NCCC(=O)N1CCC[C@@H](N2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 23374835 HJVKEZGLCXOIPA-LJQANCHMSA-N 416.522 1.050 0 50 HDAA COC(=O)[C@@H]1N[C@H](C(=O)OC)[C@H](c2ccccc2)S(=O)(=O)[C@@H]1c1ccccc1 34704137 DZZNYSWTPABICD-USTZCAOPSA-N 403.456 1.570 0 50 HDAA O=C(c1n[nH]c2c1CCCC2)N1CCC[C@@H](n2ncc(N3CCOCC3)cc2=O)C1 328603316 FPHDTZFNUFTPDQ-OAHLLOKOSA-N 412.494 1.159 0 50 HDAA CC[C@H]1CN(C(=O)CCc2c(C)nn(-c3ccc(S(N)(=O)=O)cc3)c2C)C[C@@H]1O 468023354 AEVBCZXGAWVSIM-KXBFYZLASA-N 420.535 1.298 0 50 HDAA O=C(NCC(=O)N1CCN(c2ccccc2)CC1)N[C@@H]1CCc2cc(O)ccc2C1 683549488 IMSLDVDUIJGZTC-LJQANCHMSA-N 408.502 1.898 0 50 HDAA CCc1nc(CNC(=O)N2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)n[nH]1 1478708199 WAZWISDAWOWKNU-UHFFFAOYSA-N 400.439 1.656 0 50 HDAA Cn1c2c(c(=O)n(C)c1=O)C[C@H](CC(=O)Nc1cccc(Cl)c1Cl)C(=O)N2 1848442965 QDZXRMXHKDLHRB-MRVPVSSYSA-N 411.245 1.530 0 50 HDAA Cc1[nH]c(-c2ccc(F)cc2)nc1C(=O)N1C[C@H]2[C@@H](N(C)C)CS(=O)(=O)[C@H]2C1 1857697235 LLMIAGFJTVNBRP-JYJNAYRXSA-N 406.483 1.323 0 50 HDAA O=C(O)C[C@@H]1C[C@H](NC(=O)CSCc2cn(-c3cccc(CO)c3)nn2)CCO1 1875353623 ADMXBSVMJDLGSX-PBHICJAKSA-N 420.491 1.131 0 50 HDAA CN1CCc2[nH]nc(C(=O)N3CCCCN4CCCC[C@H]4CC(=O)NCCC3)c2C1 2100533742 YCIBWNMAXJJHGI-KRWDZBQOSA-N 416.570 1.385 0 50 HDAA CCCCS(=O)(=O)N[C@@H](C)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1occ(C)c1C 2325829759 RPDWPOMQGPEKSU-JYJNAYRXSA-N 411.524 1.430 0 50 HDAA O=C(NC[C@@H]1[C@@H](c2ccccc2)[C@]12CN(c1ncccn1)C[C@@H]2O)c1ccccn1 2356169345 QPTRRLGDJAOWSM-RKCFAAOBSA-N 401.470 1.883 0 50 HDAA O=C(c1ccc(F)cc1)C1CCN(CCn2c(=O)nc3n(c2=O)CCCC3)CC1 597570 ABLOJQGCNLNCFS-UHFFFAOYSA-N 400.454 1.475 0 50 HDAA in-vitro CCn1cc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cnn(CC)c3C)C2)c(C)n1 2802294 UFHYHNVUUWPRGF-OAHLLOKOSA-N 408.528 1.776 0 50 HDAA Cc1ccc(-n2nc(C(=O)N3CCN(c4ccccc4)CC3)c(=O)n(C)c2=O)cc1 8610888 UWDPMIXCXDTLTK-UHFFFAOYSA-N 405.458 1.202 0 50 HDAA Cc1cc(C)n(-c2cccc(CN(C)C(=O)Cn3nnnc3CN(C)C(C)C)c2)n1 12072736 YPXQCSPFSCHOIG-UHFFFAOYSA-N 410.526 1.974 0 50 HDAA COc1cccc(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N(C)Cc3cnn(C)c3)[C@H]4C2=O)c1 77472366 NOEUQOXJKAONQO-MXBUBSDBSA-N 422.485 1.369 0 50 HDAA CCOC(=O)[C@H](NC(=O)[C@H](C)NC(C)=O)c1c(C)nn(Cc2ccccc2)c1C 170614377 ABIHMRNJBGDGOK-IFXJQAMLSA-N 400.479 1.793 0 50 HDAA COCCn1cc([C@@H]2[C@@H](C(=O)NC[C@H](O)C(C)(C)C)CC(=O)N2C(C)(C)C)cn1 225460361 UDHHHJHKRRWMRL-XYJFISCASA-N 408.543 1.741 0 50 HDAA Cc1cc(C)c(C)c(S(=O)(=O)NC2(C(N)=O)CN(C(=O)OC(C)(C)C)C2)c1C 225656538 YZIYUOVEFKQVNX-UHFFFAOYSA-N 411.524 1.673 0 50 HDAA Cc1nc(CN2CCC(N3C[C@@H](COc4ccc(F)cc4)OCC3=O)CC2)no1 299787691 ZNHRLXIKTZINSP-SFHVURJKSA-N 404.442 1.788 0 50 HDAA CN(CCC(=O)N1CCN(c2nc3ccccc3s2)CC1)[C@H]1CCS(=O)(=O)C1 823668457 RKOOQHFTKFTZQV-HNNXBMFYSA-N 422.576 1.454 0 50 HDAA CSCC(=O)N1C[C@H]2CN(C(=O)C3Cc4ccccc4C3)C[C@]2(CCC(=O)O)C1 1772709941 TVMSPJQRPYPVGT-AVRDEDQJSA-N 416.543 1.916 0 50 HDAA COc1ccc(S(=O)(=O)N2CCN([C@@H]3CCOC4(CCNCC4)C3)CC2)cc1 1857679441 LWJMBSAJPRFKOI-QGZVFWFLSA-N 409.552 1.303 0 50 HDAA CCc1noc(COCC(=O)N[C@@H](C)C[C@@H](C)NC(=O)C2(OC(C)C)CCC2)n1 2325828275 CIUCNOJYRGGCJH-LSDHHAIUSA-N 410.515 1.896 0 50 HDAA O=C([C@H]1C[C@H]2CCCN2[C@]12C(=O)Nc1ccccc12)N1CCc2c(O)ncnc2C1 2356158714 WJAXFWFTXHVHCT-XNVILDLWSA-N 405.458 1.399 0 50 HDAA CCOC(=O)[C@H](CCc1ccccc1)N[C@H]1CCCN2CCC[C@@H](C(=O)O)N2C1=O 3781951 HHHKFGXWKKUNCY-FHWLQOOXSA-N 417.506 1.596 0 50 HDAA biogenic,world CC(C)C(=O)N[C@@H](NC(=S)N[C@H]1CCS(=O)(=O)C1)C(Cl)(Cl)Cl 8828589 IBYYVEJYNOPOAS-CBAPKCEASA-N 410.776 1.106 0 50 HDAA COc1ccccc1CN1CCN(C(=O)C[C@H]2C(=O)NCCN2C2CCCC2)CC1 11717529 OGVJHOQNPVFUCE-FQEVSTJZSA-N 414.550 1.473 0 50 HDAA O=C(CCN1CCCCO1)N1CCC[C@@H](CNS(=O)(=O)Cc2ccccc2)C1 14950897 YYSZZOQIQOWAID-IBGZPJMESA-N 409.552 1.762 0 50 HDAA CC(=O)OC[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)c1cnc2ccccc2n1 71769596 CZCMCRIAFRGXRB-ZCNNSNEGSA-N 418.402 1.661 0 50 HDAA CCCCN1CCN([C@H](C(=O)N(C)Cc2nccn2C)c2ccccc2)C(=O)C1=O 77408261 BNHFBZZPPSVPFY-IBGZPJMESA-N 411.506 1.591 0 50 HDAA O=C(NCc1cccnc1)[C@@H]1[C@@H]2C(=O)N(c3ccc4c(c3)OCO4)C[C@@]23C=C[C@H]1O3 227249001 RHMRQORKHHXYNZ-TXXUCJGISA-N 405.410 1.413 0 50 HDAA COc1ccc(C(=O)N2CCC(C(=O)N[C@H](C)c3n[nH]c(C)n3)CC2)cc1OC 670455300 FPIOTFRHXILMBS-GFCCVEGCSA-N 401.467 1.860 0 50 HDAA Cc1cn2cc(CNC(=O)c3ccc(CN4CC[C@@H]5CNC[C@@H]54)nc3O)nc2s1 1073367243 WQWPPDKYUUYVJT-DYVFJYSZSA-N 412.519 1.529 0 50 HDAA C=CC(=O)N1CCC(C(=O)N2CCN3C(=O)N(CC)C(=O)[C@@H]3C2)(c2ccccc2)CC1 1445401715 YSWXURPRVQHXDM-SFHVURJKSA-N 424.501 1.228 0 50 HDAA Cc1nc(O)cc(CN2CCC[C@@H](CNC(=O)CCN3CCCCCC3=O)C2)n1 1506413464 RMTBIGPBUKCSOS-KRWDZBQOSA-N 403.527 1.612 0 50 HDAA CCc1nccn1CCC(=O)N1CCO[C@H](CO)[C@H]1c1ccc(OC)c(OC)c1 1529160049 ZWAUUGWIOHPMST-WIYYLYMNSA-N 403.479 1.814 0 50 HDAA CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)c1cc2c(-c3ccccc3)nn(C)c2s1 1565526659 MIFSQOGDJPHYDP-KBPBESRZSA-N 405.501 1.844 0 50 HDAA Cc1nn2cc(CNC(=O)[C@@]34CC[C@@H](N5CCOCC5)C[C@H]3CCNC4)nc2s1 1857694395 AFIMMVOHMNIGBR-WRWLIDTKSA-N 418.567 1.196 0 50 HDAA Nc1cccc(-c2cn(CC3(CNC(=O)[C@]4(C5CCCC5)CCNC4=O)CC3)nn2)n1 1875353605 ZQTFNEVKDWNBBW-QFIPXVFZSA-N 423.521 1.515 0 50 HDAA COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NCCN2CCOCC2)cc1 19781753 GIVDWJINIHMQAM-FXBPSFAMSA-N 409.486 1.915 0 50 HDAA Cc1cccc(-n2ccnc2CN2C[C@H](O)[C@@H](N3CCN(c4ccccn4)CC3)C2)c1 20386337 BXSIBIGFPWMSJB-VXKWHMMOSA-N 418.545 1.943 0 50 HDAA CCCOc1ccccc1NS(=O)(=O)c1ccc2c(c1)c(=O)n(C)c(=O)n2C 55104297 JQXQLXARKKXKOK-UHFFFAOYSA-N 403.460 1.827 0 50 HDAA O=C(c1n[nH]c2c1CCCC2)N1CCC[C@H](n2ncc(N3CCOCC3)cc2=O)C1 328603315 FPHDTZFNUFTPDQ-HNNXBMFYSA-N 412.494 1.159 0 50 HDAA CC(C)c1noc([C@@H]2CCCN2S(=O)(=O)c2ccc3nc(O)n(C)c(=O)c3c2)n1 952965791 UGBGYMUFHKVZCG-AWEZNQCLSA-N 419.463 1.671 0 50 HDAA Cc1ccc2oc(N3CCC(c4nc(CC(N)=O)nn4-c4ccccn4)CC3)nc2n1 1857675402 WSRRYTRNUZUPGE-UHFFFAOYSA-N 418.461 1.919 0 50 HDAA COc1cc(CN)ccc1Oc1ccc(C(=O)NC[C@@]2(O)CCNC2)cc1OC 1857693297 QLJXRFRGYMYHNZ-OAQYLSRUSA-N 401.463 1.409 0 50 HDAA CC(C)c1cc(C(=O)N2CC[C@H](O)[C@@](CO)(Cc3ccc(F)cc3)C2)nc(=N)[nH]1 1857734359 IWZXSGKYLRWOTQ-RXVVDRJESA-N 402.470 1.580 0 50 HDAA COCCOC(=O)C1=C(N)Oc2c(oc(CO)cc2=O)[C@H]1c1ccc(Cl)cc1 2242381 ZJFYZRIDJLZPKU-AWEZNQCLSA-N 407.806 1.670 0 50 HDAA COCC(=O)N[C@H](c1nnc2n1CCN(Cc1ccc(O)cc1OC)CC2)C(C)C 11972459 FZWIOEZDNIZKIU-FQEVSTJZSA-N 417.510 1.510 0 50 HDAA COc1cccc(OC[C@@H](O)CNC(=O)CN2Cc3ccccc3O[C@H](C)C2)c1 14878624 BQWFMFDMODNVQW-AEFFLSMTSA-N 400.475 1.834 0 50 HDAA CC(C)S(=O)(=O)N1CC[C@H]2[C@@H](CCCN2C(=O)c2cc3c([nH]c2=O)CCCC3)C1 43632308 RNTWVEOZEQBCHW-LPHOPBHVSA-N 421.563 1.918 0 50 HDAA CN(Cc1cnccn1)C(=O)C[C@@H]1C(=O)NCCN1Cc1c(F)cccc1Cl 55269538 KIGNWPHXDMXMDD-QGZVFWFLSA-N 405.861 1.618 0 50 HDAA Cc1cccc(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N(C)Cc3nc(C)c[nH]3)[C@@H]4C2=O)c1 77298613 HGHTWODDPMXQEX-CLWLKPMESA-N 406.486 1.967 0 50 HDAA COCC(=O)N1CCc2[nH]cnc2C12CCN(Cc1cnc(SC)nc1)CC2 95522167 OVLLXEHTOQGOKQ-UHFFFAOYSA-N 402.524 1.444 0 50 HDAA CNS(=O)(=O)c1ccc(C(=O)Nc2ccc(C)c(N3CCCS3(=O)=O)c2)cc1 253418824 AJWZCHCGFPHRIO-UHFFFAOYSA-N 423.516 1.695 0 50 HDAA C[C@]12CC[C@@H]3[C@H](CC[C@@]4(O)C[C@H](O)CC[C@]34C(=O)O)[C@@]1(O)CC[C@H]2C1=CC(=O)OC1 253488123 XJIILRFVONGQOG-ODSFHJQASA-N 420.502 1.784 0 50 HDAA biogenic CN(C(=O)c1ccc(S(=O)(=O)N2C[C@@H]3C[C@H]4C[C@H]3[C@H]2[C@@H]4O)cc1)c1ccccn1 328599470 SGISGRRYVDJQST-OVWALXMSSA-N 413.499 1.748 0 50 HDAA O=C1NC(=O)[C@]2(CCCN(CC(=O)N3Cc4ccccc4[C@@H](c4ccccc4)C3)C2)N1 434793704 MBUFVDPTFAYZDV-HYBUGGRVSA-N 418.497 1.835 0 50 HDAA O=C1NC(=O)[C@@]2(CCCN(CC(=O)N3Cc4ccccc4[C@@H](c4ccccc4)C3)C2)N1 434793706 MBUFVDPTFAYZDV-YKSBVNFPSA-N 418.497 1.835 0 50 HDAA O=C(NC[C@@H]1CCCN(Cc2cnc(N3CCOCC3)nc2)C1)c1cscn1 828209829 BBSVZPWXDUXVOR-HNNXBMFYSA-N 402.524 1.412 0 50 HDAA O=C(NCc1nnc(C2CC2)s1)[C@@H]1C[C@@H](O)CN1C(=O)OCc1ccccc1 1451526672 JZTPKCYDJWYDBQ-CABCVRRESA-N 402.476 1.804 0 50 HDAA CCn1cnnc1CCNS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)n[nH]2)o1 1506419069 WSMQIRYRUSLJCG-UHFFFAOYSA-N 404.374 1.821 0 50 HDAA COc1cccc(-c2nccn2[C@H]2CCN(C)C2=O)c1OCCN1CCOCC1 1857671802 QSUULRKCVGFGIE-KRWDZBQOSA-N 400.479 1.673 0 50 HDAA O=C(NC[C@@H]1CN(CC2CCN(CC3CC3)CC2)C(=O)CO1)c1ccc(F)cc1O 1857681096 XXMIFYQRGOIOOW-GOSISDBHSA-N 419.497 1.611 0 50 HDAA Cc1nc(N2CCOCC2)sc1C(=O)N1CCN(C(=O)c2cccs2)CC1 1857697611 ZECLKPIXEZCCDT-UHFFFAOYSA-N 406.533 1.948 0 50 HDAA CCc1noc(CN2CCOC3(CCN(c4nccc(OC)n4)CC3)CC2=O)n1 1857699604 VVYRNRRHJMKLHK-UHFFFAOYSA-N 402.455 1.219 0 50 HDAA Cc1nnc(CN2CCCNC(=O)c3cc(Cl)ccc3OCCNC(=O)C2)s1 1857714131 SMFGHRRUONDHSK-UHFFFAOYSA-N 423.926 1.631 0 50 HDAA C[C@@H](Cc1ccc2c(c1)OCO2)c1nccn1CCS(=O)(=O)N1CCOCC1 1857722943 QQKMPDWTQDAMKG-HNNXBMFYSA-N 407.492 1.620 0 50 HDAA COc1ccnc(CN2CC3(CCN(C[C@H]4CC(=O)N(C)C4)CC3)OCCC2=O)c1 1857739134 KFPAQWWWYNKJLP-KRWDZBQOSA-N 416.522 1.152 0 50 HDAA CC(C)(NC(=O)c1ccc(C(N)=O)o1)C1CCN(C(=O)C2SCCS2)CC1 1875348132 YHWLRIJHFSTIRN-UHFFFAOYSA-N 411.549 1.932 0 50 HDAA C[C@H](NC(=O)NCc1nn[nH]c1-c1ccnn1C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 1875352196 XDGKQYYALTWVON-QWHCGFSZSA-N 418.502 1.650 0 50 HDAA NCc1nc(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)cs1 1875362534 JEPVVWGCSKMZDC-UHFFFAOYSA-N 420.560 1.166 0 50 HDAA COCCn1nc(CC(N)=O)nc1[C@H]1OCC(=O)N(C(C)C)[C@@H]1c1ccccc1 2100556803 ICJMGIFERCXPKI-MOPGFXCFSA-N 401.467 1.002 0 50 HDAA COc1cc(C(C)=O)ccc1OCc1cc(C(=O)N(C)C[C@H]2COCCO2)no1 12593210 SNTHUUFPLGQETE-INIZCTEOSA-N 404.419 1.952 0 50 HDAA O=C(NCc1nnc2n1CCN(Cc1ccc(OCCO)cc1)CC2)c1ccccn1 14884640 RGDYPRPIOOBGMG-UHFFFAOYSA-N 422.489 1.033 0 50 HDAA COCCOC1CCN(C(=O)C[C@H]2C(=O)NCCN2Cc2cccc(F)c2)CC1 15077491 YPPLVKHEGBUZEE-IBGZPJMESA-N 407.486 1.170 0 50 HDAA CC(=O)Nc1ccc(S(=O)(=O)NCc2ccccc2CN2CCOCC2)cc1 26358013 XKRIREUXFSLPTO-UHFFFAOYSA-N 403.504 1.956 0 50 HDAA CN(Cc1cccnc1)S(=O)(=O)c1ccc2c(c1)CN(C(=O)c1ncc[nH]1)CC2 77321651 AXBJSRPYTDEPCE-UHFFFAOYSA-N 411.487 1.824 0 50 HDAA CCCCN1CCN([C@H](C(=O)N(C)Cc2noc(C)n2)c2ccccc2)C(=O)C1=O 77422579 NXAMGWRQDNKXDB-SFHVURJKSA-N 413.478 1.549 0 50 HDAA CCOc1ccc(OC[C@H](O)CN2CC[S@](=O)C[C@H]2c2cnn(CC)c2)cc1 242273531 YDNKABBEMTWDKQ-KLMLQECBSA-N 407.536 1.847 0 50 HDAA C=CC(=O)NCc1ccc(C(=O)N(Cc2cccnc2)[C@H]2CCS(=O)(=O)C2)cc1 735825303 VMDQPQGKXNYVEV-IBGZPJMESA-N 413.499 1.713 0 50 HDAA Cc1ccc(CN2C[C@@H]3CN(C(=O)C4=NNC(=O)CC4)C[C@]3(CCC(=O)O)C2)s1 1772808877 DGPBJCYTUVJFRF-VLIAUNLRSA-N 418.519 1.448 0 50 HDAA CS(=O)(=O)c1cccc(C(=O)N2C[C@@H]3CN(Cc4cccnc4)C[C@]3(CO)C2)c1 1772814685 NRWZLSWZFPVMIM-GHTZIAJQSA-N 415.515 1.052 0 50 HDAA O=C(CCCc1c[nH]c2ccccc12)N[C@H]1CS(=O)(=O)C[C@H]1NC1CCOCC1 1772816598 WVBOILHNKLKUSX-UXHICEINSA-N 419.547 1.541 0 50 HDAA CC(C)(C)C(=O)CCc1cn(-c2ccc3c(c2)CN([C@@H]2CCC(=O)NC2=O)C3=O)nn1 1875355541 MLWAQGCNLHIUNW-QGZVFWFLSA-N 423.473 1.576 0 50 HDAA O=C1NCCNc2cc(C(=O)N3C[C@H](NC(=O)[C@H]4CC=CCC4)[C@H](F)C3)ccc21 2325872542 CGDSIBNDLLSSGA-XCRHUMRWSA-N 400.454 1.477 0 50 HDAA Cc1cc2[nH]cc(C(=O)N3CCc4nc(Cc5ccccc5)nn4CC3)c(=O)n2n1 2356152179 DDUFSXMLTBQIQG-UHFFFAOYSA-N 403.446 1.212 0 50 HDAA Cc1cc(N(CC(=O)NC[C@H]2CCCO2)S(C)(=O)=O)ccc1Br 4811240 AYOZVYYCWMYJHI-CYBMUJFWSA-N 405.314 1.819 0 50 HDAA COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NCc2cccc(C)n2)c(OC)c1 13636726 KRFYWDHLRDKEPF-LJQANCHMSA-N 412.490 1.414 0 50 HDAA COC(=O)C1CCN(C[C@@H](O)COc2cccc(CNCCn3cccn3)c2)CC1 15077887 NVJPQVJILALDAK-HXUWFJFHSA-N 416.522 1.298 0 50 HDAA COc1ccccc1N1CCN(C(=O)CN(C)S(=O)(=O)c2ccccc2)CC1 16187699 YXQKATYWPALKQJ-UHFFFAOYSA-N 403.504 1.665 0 50 HDAA Cc1cc(CNC(=O)C[C@@H]2C(=O)NCCN2Cc2ccc(Cl)c(F)c2)nn1C 19771404 RFBUFOWXSHVALO-QGZVFWFLSA-N 407.877 1.528 0 50 HDAA CN(C)S(=O)(=O)c1cc(NCC2CC2)cc(C(=O)N2CCC[C@H](C(N)=O)C2)c1 19781887 DLSPNAXGCYJRKG-AWEZNQCLSA-N 408.524 1.096 0 50 HDAA CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3cc(N(C)C)nc(C)n3)CC2)cc1 21794628 ZYBBJOVMLXXDIR-UHFFFAOYSA-N 418.523 1.320 0 50 HDAA Cc1cccc(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N(C)Cc3nccn3C)[C@@H]4C2=O)c1 77436840 BWOQXIQUBPDFET-CLWLKPMESA-N 406.486 1.669 0 50 HDAA Cc1cc(N2CC[C@H](N3CCOCC3)[C@H](CCC(=O)O)C2)nc(N2CCCC2)n1 91706840 BYSHVKWIBBJFMJ-MSOLQXFVSA-N 403.527 1.777 0 50 HDAA NS(=O)(=O)c1ccccc1CN1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1 225520702 FSBCVTZXAHCHKN-UHFFFAOYSA-N 412.515 1.702 0 50 HDAA COC(=O)c1cc(NC(=O)COC(=O)C(=O)N2CCC[C@@H](C)C2)cc(C(=O)OC)c1 225840867 HPSYAIBOKVLREK-GFCCVEGCSA-N 420.418 1.000 0 50 HDAA O=C(NC[C@@H]1CCCO1)[C@H](Cc1ccccc1)N1C(=O)[C@H]2[C@H]3C=C[C@H]([C@H]2C1=O)[C@@H]1C[C@@H]31 239347374 MUMJFVIKAVCMQJ-HSZHAZPASA-N 420.509 1.946 0 50 HDAA Cc1ccn2c(CNC[C@@H]3CCn4ncc(C(=O)N5CCOCC5)c4C3)cnc2c1 328605579 OAXONOQYSFRGGD-QGZVFWFLSA-N 408.506 1.664 0 50 HDAA COc1cc(CN2CC[C@H](NC(=O)c3c[nH]nc3-c3cnn(C)c3)C2)cc(OC)c1 444219402 AVQPTLAPRUJIOG-INIZCTEOSA-N 410.478 1.832 0 50 HDAA COc1ccc([C@@H]2[C@@H](CO)OCCN2C(=O)c2cn3ccsc3n2)cc1OC 1529089865 CEDBPUAUGWFTOX-IAGOWNOFSA-N 403.460 1.988 0 50 HDAA CCn1nc(CC(C)C)cc1C(=O)N1C[C@@H]2CN(Cc3cnc[nH]3)C[C@@]2(CO)C1 1772814995 XHLVZODWMGHMTL-KKSFZXQISA-N 400.527 1.391 0 50 HDAA O=C(O)CN1CCC2(CC1)OCCc1cc(C(=O)NC[C@H]3CCCOC3)sc12 1857687681 ZRRJKHFAVOPBIY-CQSZACIVSA-N 408.520 1.853 0 50 HDAA O=C(CO)N1[C@H]2CC[C@@H]1C[C@]2(Cc1ccccc1)C(=O)NCCCOc1cccnc1 1857714017 HYGGAQGCISHESR-IZIIKQMZSA-N 423.513 1.951 0 50 HDAA CCN(CC)S(=O)(=O)c1ccc(=NC[C@@H]2CCCN2c2cc(NC)ncn2)[nH]c1 1875260681 OEZHMUUTYJMOHQ-HNNXBMFYSA-N 419.555 1.447 0 50 HDAA COC(=O)[C@@H](O)[C@@H](Cc1ccccc1)NC(=O)C[S@](=O)c1ccc(Cl)cc1 1875383306 OGCGZDBVJQNHEK-LGGJOLOLSA-N 409.891 1.709 0 50 HDAA O=C([C@H]1CCCn2nccc21)N1C[C@H]2CC[C@H]1CN2C(=O)[C@H]1CCCn2nccc21 2325816650 OXNAEFUOJCSNKR-MHORFTMASA-N 408.506 1.736 0 50 HDAA NCCc1ccc(NC(=O)c2cccc3c2CN([C@@H]2CCC(=O)NC2=O)C3=O)cc1 2325895893 LXYLXLJNIVEGHJ-GOSISDBHSA-N 406.442 1.201 0 50 HDAA COCCOCCN1C[C@@H](O)[C@]2(C1)[C@H](c1ccccc1)[C@H]2CNC(=O)C1CCC1 2356158176 DUVPLRREVPYHOO-YYTDSSBASA-N 402.535 1.642 0 50 HDAA C[C@@H](O)[C@@H](NC(=O)CNC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 4763753 WFOUCHSTLPZYMW-DNVCBOLYSA-N 400.431 1.522 0 50 HDAA CC(=O)c1ccc(N2CCN(C(=O)C[C@@H]3C(=O)NCCN3CC(C)C)CC2)cc1 12307984 XFMUATZZHLEIRJ-HXUWFJFHSA-N 400.523 1.384 0 50 HDAA COc1ccc(OS(C)(=O)=O)c(/C=c2\sc3nc4ccccc4n3c2=O)c1 13895530 HZVYMXAMHYKIOZ-YBEGLDIGSA-N 402.453 1.804 0 50 HDAA COCC(=O)Nc1c(C(=O)OC)n(C)c2ncc(NC3CCN(C(C)=O)CC3)cc12 14540295 VJGPHPIVCLZHNY-UHFFFAOYSA-N 417.466 1.368 0 50 HDAA Cc1nc(N2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)cc(-n2cccn2)n1 65364346 GFPCBLLMUXYHPC-UHFFFAOYSA-N 420.445 1.760 0 50 HDAA Cc1cc(N2CCN(S(=O)(=O)c3c(C)noc3C)CC2)nc(N2CCCCC2)n1 67621254 SLKLXFXACLBRCX-UHFFFAOYSA-N 420.539 1.891 0 50 HDAA Cc1nc(N2CCN(C)CC2)cc(N2CCN(C(=O)c3c(F)cccc3F)CC2)n1 72437918 QFVKHZNYQWOSOF-UHFFFAOYSA-N 416.476 1.777 0 50 HDAA COCCNC(=O)c1ccc(OC)cc1OC1CCN(C(=O)c2cnon2)CC1 95501190 PTVGRKAGVFBDFI-UHFFFAOYSA-N 404.423 1.138 0 50 HDAA CC1CCN(S(=O)(=O)c2ccc(NC(=O)[C@@H]3[C@H](C(=O)O)[C@H]4CC[C@H]3O4)cc2)CC1 138976620 FJSCWNGBMHLTEO-ZJPYXAASSA-N 422.503 1.924 0 50 HDAA COc1ccc(F)c(C(=O)NCCS(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c1OC 170606400 GXTGCJOQMHSQAA-VXGBXAGGSA-N 404.460 1.012 0 50 HDAA COCCn1cc([C@@H]2[C@H](C(=O)NCCCC(=O)OC)CC(=O)N2C(C)(C)C)cn1 252484501 FXTGLKTZZYJZBY-CRAIPNDOSA-N 408.499 1.287 0 50 HDAA Cc1noc(C)c1CN1CCc2c(C(=O)NCCCc3nn[nH]n3)csc2C1 426641374 MIFBJFBRELKISL-UHFFFAOYSA-N 401.496 1.787 0 50 HDAA COc1ccc(C(=O)N2CCC(C(=O)N[C@@H](C)c3n[nH]c(C)n3)CC2)cc1OC 670455301 FPIOTFRHXILMBS-LBPRGKRZSA-N 401.467 1.860 0 50 HDAA CNC(=O)[C@H](C)NC(=O)C[C@H](c1ccc(OC)cc1)c1cc2c(cc1O)OCO2 823830674 GWAMKQCUSYYXGY-SWLSCSKDSA-N 400.431 1.902 0 50 HDAA biogenic N[C@H]1CC[C@H](CCNC(=O)N2CCC(c3nccc(N4CCOCC4)n3)CC2)C1 952894441 QYRXMPAITUVMDM-AEFFLSMTSA-N 402.543 1.720 0 50 HDAA CO[C@@H]1CC[C@H](C(=O)NCCc2nccs2)C[C@H]1NC(=O)c1c(C)ncn1C 1857694160 CNBNZJGPAANZFR-RRFJBIMHSA-N 405.524 1.457 0 50 HDAA Cc1ccc(C(=O)NC[C@H]2[C@H]3CN(c4nccnc4N(C)C)C[C@]34CC[C@H]2O4)cn1 1857712794 HSRQJILDAMRDPE-KCXPTXFHSA-N 408.506 1.660 0 50 HDAA COc1ccc([C@H]2[C@@H](C(=O)N(C)CCO)C[C@H]3CN(CC=C(C)C)CC(=O)N32)cc1 1857729680 HCMWINVHIRAFGO-VCOUNFBDSA-N 415.534 1.686 0 50 HDAA CNS(=O)(=O)c1ccc([C@@H](C)N=c2ccc3nnc(-c4ccccn4)n3[nH]2)cc1 1875324387 WPLAYOJAEDXKGI-CYBMUJFWSA-N 409.475 1.689 0 50 HDAA COc1cccc2c1C1(CCN(C(=O)C[C@H]3C(=O)NCCN3C(C)C)CC1)OCC2 2356143342 DFKYHPGJONCWJN-SFHVURJKSA-N 415.534 1.685 0 50 HDAA O=C([C@H]1CCCO1)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 6742335 PLZOCNJUHRBZKY-CQSZACIVSA-N 403.298 1.461 0 50 HDAA CC(=O)N1CCN(c2ncccc2CNC(=O)c2cc(-c3cccn3C)n[nH]2)CC1 11753666 LDSJBTGUFNNDCK-UHFFFAOYSA-N 407.478 1.409 0 50 HDAA CN(C)S(=O)(=O)N1CC[C@H]2[C@H](CCCN2C(=O)Cc2cc(F)cc(F)c2)C1 11966282 PZPCFWWVCINJOF-PBHICJAKSA-N 401.479 1.627 0 50 HDAA O=C1[C@@H]2CSCN2C(=O)[C@H]2CN(Cc3cnn(-c4ccccc4Cl)c3)CCN12 14748828 LMGGGIIIPUZOCC-SJORKVTESA-N 417.922 1.454 0 50 HDAA CCc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCCC[C@@H]3C(=O)O)CC2)cc1 17088018 SOVOGVMUWDGPJI-ROUUACIJSA-N 408.520 1.973 0 50 HDAA O=C(CS(=O)(=O)c1ccccc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 19913812 ZCOQDISAFKHWNR-UHFFFAOYSA-N 402.472 1.533 0 50 HDAA Cc1cccc(Nc2ccc(N3CCN(S(=O)(=O)c4cccnc4)CC3)nn2)n1 67620901 KMXVRTDEJKEXPM-UHFFFAOYSA-N 411.491 1.830 0 50 HDAA CC1(C(=O)N2CCc3ccc(S(=O)(=O)NCCCn4ccnc4)cc3C2)CC1 77455328 KZBKVESNRMXBKI-UHFFFAOYSA-N 402.520 1.937 0 50 HDAA CS(=O)(=O)c1cnc(N2CCN(c3ccccc3)CC2)nc1[C@@H]1CCCNC1 77472466 ADJDQQATCBSZOE-MRXNPFEDSA-N 401.536 1.674 0 50 HDAA CCn1cnnc1CN(C)C(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(C4CCCCCC4)C(=O)[C@@H]13)O2 77521655 XQGYFMXDJJNPHI-VGYLUTEMSA-N 413.522 1.761 0 50 HDAA Cn1c(N2CCOCC2)nc2cc(C(=O)NCCCc3nnc(N)s3)ccc21 95388636 UBMIMIRLXSDNCX-UHFFFAOYSA-N 401.496 1.206 0 50 HDAA O=C(CNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl)NCC(F)F 225469982 NHIUHXJRYHEXDJ-UHFFFAOYSA-N 409.842 1.236 0 50 HDAA C[C@H](C(=O)Nc1cccc(-c2n[nH]c(C3CC3)n2)c1)N1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 462004564 BABFTMKRBDVJIS-RGVDIWCNSA-N 421.457 1.839 0 50 HDAA O=C(N[C@H]1C2CN3CCN(C2)CC1(c1ccccc1)C3)c1ccccc1-c1nn[nH]n1 828184042 BQTOICJBWKHDCH-UKAYHFCDSA-N 415.501 1.164 0 50 HDAA CN(CCN(C)S(=O)(=O)c1ccc(NS(=O)(=O)N(C)C)cc1)C1CCCC1 952979428 YFQRUVWRGQMYNA-UHFFFAOYSA-N 418.585 1.400 0 50 HDAA Cn1c(=O)oc2ccc(S(=O)(=O)N(Cc3ccccn3)C[C@H]3CCCO3)cc21 952988194 MSRIUXJFAVZBGI-OAHLLOKOSA-N 403.460 1.896 0 50 HDAA CNC(=O)c1ccc(S(=O)(=O)N2CCN([C@H]3CCc4ccccc4C3)CC2)cc1 1506396302 KEQTZJYEPDEMCM-FQEVSTJZSA-N 413.543 1.910 0 50 HDAA COc1ccc(S(N)(=O)=O)cc1C(=O)N(Cc1ccccn1)C[C@H]1CCCO1 1506419949 NQJHXGYDZYISJP-OAHLLOKOSA-N 405.476 1.559 0 50 HDAA CCCn1ncc(CN2C[C@@H]3CN(c4nc(N)nc(C)c4Cl)C[C@]3(CO)C2)c1C 1772819058 ONKVUWKLXHMCDI-UZLBHIALSA-N 419.961 1.866 0 50 HDAA Cc1nn(CCO)cc1CN1[C@H]2CC[C@@H]1C[C@]1(C2)CN(C[C@H]2CCOC2)CCO1 1857676651 KKNSVVGVPMLXHF-YJMBLLCNSA-N 404.555 1.418 0 50 HDAA O=C(O)c1cc(S(=O)(=O)N2CC[C@@]34OCCCN3C(=O)C[C@@H]24)ccc1Cl 1857718666 ZXFMLKCRCIBRLS-CJNGLKHVSA-N 400.840 1.150 0 50 HDAA COC(=O)[C@H]1C[C@H]2CN(C(=O)Cc3ccccc3O)CC(=O)N2[C@H]1c1ccccc1 1857740672 UBUZTSRUKILIBR-SPEDKVCISA-N 408.454 1.908 0 50 HDAA CCC(CC)(CNC(=O)c1ccc2c(c1)CN([C@@H]1CCC(=O)NC1=O)C2=O)C(=O)O 2325895606 FFJZMWZYTSALTE-OAHLLOKOSA-N 415.446 1.068 0 50 HDAA Cc1cc(C)n2nc(C(=O)N3CCC[C@]4(CCc5cnc(N(C)C)nc54)C3)nc2n1 2356154665 FGPOJEUVKAFZDB-NRFANRHFSA-N 406.494 1.717 0 50 HDAA CCOC(=O)C1CCN(C(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)CC1 4844717 AGVODQIBBMSDPZ-UHFFFAOYSA-N 408.520 1.889 0 50 HDAA Cc1cc(C(F)(F)F)nc(CCNC(=O)C[C@H]2C(=O)NCCN2C2CCCC2)n1 11947734 JJLIIDLDIDSEJP-AWEZNQCLSA-N 413.444 1.596 0 50 HDAA CC(=O)NCC1CCN(C(=O)[C@@H]2CCC(=O)N(CCc3cccc(F)c3)C2)CC1 12054658 DMAUCBGWQUUQNL-LJQANCHMSA-N 403.498 1.982 0 50 HDAA CC1CCN(Cc2nnnn2CC(=O)N[C@H](C)c2cnn(-c3ccccc3)c2)CC1 12203676 SRXUERFKDFSXGA-QGZVFWFLSA-N 408.510 1.968 0 50 HDAA CC(C)CN1C[C@@H](OCc2cccc(F)c2)CN(C(=O)[C@@H]2CNC(=O)C2)CC1=O 14536537 ZYKYNPHYNCMUIZ-FUHWJXTLSA-N 405.470 1.174 0 50 HDAA Cc1ccn2cc(C(=O)N3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)nc2c1 15713127 UQIQFKANQFFAPN-UHFFFAOYSA-N 402.451 1.929 0 50 HDAA O=S(=O)(N1CCCCC1)N1CCN(C[C@H](O)COc2ccc3c(c2)CCC3)CC1 19933007 WSVMKCZDJUTROD-FQEVSTJZSA-N 423.579 1.263 0 50 HDAA CNc1nc(C)cc(NC[C@H]2CN(CC3CCN(CC4CC4)CC3)C(=O)CO2)n1 299779901 SASKVWKPFAHYIV-SFHVURJKSA-N 402.543 1.588 0 50 HDAA COCc1cc(CN2CCC(CNC(=O)[C@@H]3CCC(=O)NC3)CC2)ccc1OC 824477264 KEPQRBRTFFRISO-GOSISDBHSA-N 403.523 1.696 0 50 HDAA COc1cc(CN2C[C@H](Cc3cnccn3)[C@@H](O)C2)cc(Cl)c1OCC(=O)O 1615734000 BRJPFFWBJZWFRN-BBRMVZONSA-N 407.854 1.637 0 50 HDAA O=C(c1cc[nH]n1)N1CCC(N2C[C@H](COc3ccc(F)cc3)OCC2=O)CC1 1857680144 HEQYZMNBTMPCRN-QGZVFWFLSA-N 402.426 1.460 0 50 HDAA Cc1nc2c(c(=O)n1C)CN(C(=O)c1cc3c(s1)C1(CCNCC1)OCC3)C2 1857706150 BQQAPRZQIONYTK-UHFFFAOYSA-N 400.504 1.458 0 50 HDAA O=C(c1ccc(N2C[C@H](O)[C@]3(C2)[C@H](c2ccccc2)[C@H]3CO)nc1)N1CCOCC1 1857723324 ZXCDDRIDBRBUMI-MHXAIHSWSA-N 409.486 1.127 0 50 HDAA CC[C@H]1[C@@H](C(=O)NC(C)C)C[C@H]2CN(C(=O)Cc3cn4ccsc4n3)CC(=O)N21 1857726737 ATLVARUMRNWZNU-JYJNAYRXSA-N 417.535 1.301 0 50 HDAA Cc1cccnc1CN1CCN(C[C@@]2(O)CCCN(C(=O)C3CCOCC3)C2)CC1 1857740244 JXUMMQDGPRYIMO-QHCPKHFHSA-N 416.566 1.288 0 50 HDAA O=C(NC[C@H]1COc2ccccc2O1)C(=O)N(CCCO)[C@H]1CCc2ccccc21 1875253347 RMYVSZLWEIQNFF-HKUYNNGSSA-N 410.470 1.841 0 50 HDAA Cn1ncc2ncc(C(=O)N[C@@H]3C4CN5CCN(C4)CC3(c3ccccc3)C5)cc21 1940193650 ZGOJJNBWJZDVKO-VSZUSUSQSA-N 402.502 1.266 0 50 HDAA CCOC(=O)N1CCN(C(=O)CN(c2ccccc2Cl)S(C)(=O)=O)CC1 645961 RVNPATRGGJDPPG-UHFFFAOYSA-N 403.888 1.407 0 50 HDAA CS(=O)(=O)N1CCN(c2ccccc2NC(=O)c2ccc3c(c2)OCCO3)CC1 815702 ZBRAEFPVMWBZNE-UHFFFAOYSA-N 417.487 1.792 0 50 HDAA CCOC(=O)c1ccc(N2C(=O)C[C@H](N3CCN(c4ncccn4)CC3)C2=O)cc1 855194 XIPGCMPIHSEWAP-KRWDZBQOSA-N 409.446 1.107 0 50 HDAA CCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@H](O)COc1ccccc1C 13370175 KCZDLRMVYSHLSP-ZDUSSCGKSA-N 404.492 1.674 0 50 HDAA CC[C@H](C)[C@@H]1NC(=O)[C@H]2CN(C(=O)c3ccc(OC(F)(F)F)cc3)CCN2C1=O 14540973 WARGXHFAWZVGSX-GLQYFDAESA-N 413.396 1.783 0 50 HDAA COCCCNc1nc2nonc2nc1N1CCCC[C@@H]1CCN1CCOCC1 19794819 KAGYCLFJBSIWET-OAHLLOKOSA-N 405.503 1.542 0 50 HDAA CCOC(=O)C1CCN(Cc2c(C(=O)N3CCOCC3)nc3c(C)cccn23)CC1 55225464 MRJVKNRRVPFMQV-UHFFFAOYSA-N 414.506 1.890 0 50 HDAA C[C@H](NS(=O)(=O)c1c(Br)nnn1C)c1ccc2c(c1)OCCO2 170612922 YHVQYJYFSTVCGC-QMMMGPOBSA-N 403.258 1.388 0 50 HDAA COc1ccc(N2C(=O)[C@@H](CC(=O)NC[C@@H]3COc4ccccc4O3)N=C2O)cc1 252494642 OASIUDWYGIMCMJ-HZPDHXFCSA-N 411.414 1.671 0 50 HDAA COc1ccc(CCN2C(=O)[C@H](CC(=O)N[C@@H](CO)c3ccccc3)N=C2O)cc1 252537487 LIZPLNWXIPCZFS-OALUTQOASA-N 411.458 1.602 0 50 HDAA Cn1ccs/c1=N\C(=O)CNS(=O)(=O)c1ccc(Br)cc1Cl 253405744 QAXIHVBRFOLIDC-VBKFSLOCSA-N 424.729 1.908 0 50 HDAA CN(C1CCCCC1)S(=O)(=O)c1ccc(NC(=O)Cn2cnccc2=O)cc1 471258669 KBIFSAYFHAPNPH-UHFFFAOYSA-N 404.492 1.835 0 50 HDAA O=C(Cn1nc(-c2ccc(F)cc2)ccc1=O)N1C[C@@H]2C[C@@H](C1)[C@@H]1CCCC(=O)N1C2 888088329 LRZDTBYYSDAEOQ-KNBMTAEXSA-N 424.476 1.909 0 50 HDAA O=C(CCCn1cccn1)NC[C@H]1CN(CC2CCN(CC3CC3)CC2)C(=O)CO1 1857668734 SZFWYPXNDQPPGW-FQEVSTJZSA-N 417.554 1.129 0 50 HDAA Cc1cccn2c(CC(=O)N3CC[C@H](O)[C@H](NC(=O)CCC(F)(F)F)C3)cnc12 1857680669 RVNMIIWWKGWUKK-CABCVRRESA-N 412.412 1.606 0 50 HDAA COCC(=O)N1C[C@@H]2CC[C@H](C1)[C@@H]2NC(=O)c1c[nH]c2cc(Cl)ccc2c1=O 1857681324 JCCFVZCSOAKDFX-FVGIMDHTSA-N 403.866 1.795 0 50 HDAA O=C(CCc1cnccn1)N1CCC2(CCc3c(O)nc(N4CCOCC4)nc32)CC1 1857711784 FIQREWFPYKGFDR-UHFFFAOYSA-N 424.505 1.248 0 50 HDAA Cc1nnc(CN2[C@H]3CC[C@@H]2C[C@]2(C3)CN(C(=O)c3cn(C)cn3)CCO2)s1 1857728158 PVGDSCUHTIRSHL-QWHZDKJVSA-N 402.524 1.618 0 50 HDAA NC(=O)c1ccc(S(=O)(=O)N[C@H]2C[C@H]3CO[C@@H](c4ccccc4)CN3C2)cc1 1857732837 JLFJPEUVWWGZGB-JENIJYKNSA-N 401.488 1.278 0 50 HDAA Cc1nnc2ccc(C(=O)N3CCC[C@@H](C4CN(C(=O)c5cnnc(O)c5)C4)C3)cn12 1875360439 HWHRNVLQMIHYQC-CQSZACIVSA-N 421.461 1.158 0 50 HDAA NC(=O)C1CCN(C(=O)[C@@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)CC1 785001 BQCWTSVRDIGUHV-LJQANCHMSA-N 405.454 1.618 0 50 HDAA Cc1cc(=O)c(C(=O)N2CCN(C)CC2)c(CCc2ccccc2)n1CCN(C)C 11909121 BNZAMCREUBHNLD-UHFFFAOYSA-N 410.562 1.891 0 50 HDAA CC(C)N1CCNC(=O)[C@H]1CC(=O)N1CCCN(CCCc2ccccc2)CC1 12314357 DJFRZDPGCAGTAK-OAQYLSRUSA-N 400.567 1.752 0 50 HDAA CSc1ccc(S(=O)(=O)N2CCC(C(N)=O)CC2)cc1C(=O)N1CCCC1 16651140 QGVPXXSXAZONNE-UHFFFAOYSA-N 411.549 1.531 0 50 HDAA CC(=O)Nc1cc(-c2ccc(=O)n(CC(=O)Nc3ccc(C(N)=O)cc3)n2)ccc1C 16652209 NWWRCCCPBINBPS-UHFFFAOYSA-N 419.441 1.915 0 50 HDAA CC1(C(=O)N2CCC[C@@H](Cn3cc(CN4CCNC(=O)C4)nn3)C2)CCCCC1 23232104 PKZRFKJLPFKMSW-QGZVFWFLSA-N 402.543 1.419 0 50 HDAA Cc1ccc(CN(C)C(=O)[C@H]2[C@@H]3C=C[C@@]4(CN(CCN5CCCCC5)C(=O)[C@@H]24)O3)o1 77405993 MHYVVOYREOYGKL-GJPOJAMWSA-N 413.518 1.814 0 50 HDAA Cc1ccc(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N(C)Cc3ncc[nH]3)[C@@H]4C2=O)cc1C 77437931 MXWMADXCINAQIF-YPIYEQTHSA-N 406.486 1.967 0 50 HDAA CCc1ccccc1NC(=O)Cn1c(=O)c(-c2noc(C)n2)c2n(c1=O)CCCC2 169763893 HONRDGOSOZQOPD-UHFFFAOYSA-N 409.446 1.906 0 50 HDAA O=C(NC[C@H]1CN(CC2CCN(CC3CC3)CC2)C(=O)CO1)c1ccc(Cl)cn1 299771298 XYMNGJNPUNPRSM-SFHVURJKSA-N 420.941 1.814 0 50 HDAA COc1ccc(CC2=NO[C@@H](C(=O)N3CCC(C(=O)N4CCOCC4)CC3)C2)cc1 299784165 WLNVWZOVSWCZGW-HXUWFJFHSA-N 415.490 1.480 0 50 HDAA Cc1nnn(C23C[C@H]4C[C@@H](CC(NC(=O)[C@@H](O)COc5ccccc5C)(C4)C2)C3)n1 952976369 ZICBJWKWCCDJDX-MFZRUUIPSA-N 411.506 1.894 0 50 HDAA COc1ccc(-n2cnnc2)cc1NC(=O)CN(c1cccc(C)c1)S(C)(=O)=O 952985593 CLADCACTTUPDIS-UHFFFAOYSA-N 415.475 1.989 0 50 HDAA Cc1cnccc1N1CCCN(S(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)CC1 952992136 XKDVVKVAYRMSCD-UHFFFAOYSA-N 415.519 1.481 0 50 HDAA O=C1CC[C@@H](N2CCCN(S(=O)(=O)N3CCCCC3)CC2)CCN1CC1CC1 1506398842 VAUYWSMNXQFGAF-LJQANCHMSA-N 412.600 1.516 0 50 HDAA CCCO[C@@H]1CC[C@H](C(=O)N2CCN(C)CC2)C[C@H]1Nc1ncnc2[nH]cnc12 1857688323 DFWFGTCOKNWSEV-ARFHVFGLSA-N 401.515 1.503 0 50 HDAA CCc1nn(C)c(Cl)c1CN1CCO[C@@]2(CCN(C(=O)C3CCOCC3)C2)C1 1857703459 QJILCMNLQYULHL-FQEVSTJZSA-N 410.946 1.866 0 50 HDAA NS(=O)(=O)Cc1ccc(CNC(=O)N[C@H]2COc3c(F)cc(F)cc3C2)cc1 1875260488 FNBMAMHVEGKEOC-OAHLLOKOSA-N 411.430 1.556 0 50 HDAA COc1ccc(-c2oc3cc(C)oc(=O)c3c2CC(=O)NCCS(N)(=O)=O)cc1 2049513441 UMKKTJOMQLKMNI-UHFFFAOYSA-N 420.443 1.317 0 50 HDAA CCCc1c(C(=O)N2CCN(C(=O)COc3ccsn3)C[C@@H]2C)nnn1CC 2325828523 JSAOSOUSUSOIAH-ZDUSSCGKSA-N 406.512 1.459 0 50 HDAA Cc1ccc(C(=O)NCc2ccc3c(c2)OCO3)cc1S(=O)(=O)N1CCOCC1 795897 LGCFSBYBUPLUEY-UHFFFAOYSA-N 418.471 1.675 0 50 HDAA COc1ccc(OC)c(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 902469 WXHAEXWSQKNKKL-UHFFFAOYSA-N 406.460 1.977 0 50 HDAA COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ccc2c(c1)OCO2 2695033 DIGJRBNNTVTOFU-UHFFFAOYSA-N 420.443 1.697 0 50 HDAA Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](n2cc(C(=O)NCC(C)C)nn2)C1 11977177 IQCXKKUNMBYAGR-CQSZACIVSA-N 410.500 1.295 0 50 HDAA COC(=O)c1ccc(CNC(=O)C[C@@H]2C(=O)NCCN2Cc2ccccc2C)cc1 12075836 PQERJWNMBYZEOM-HXUWFJFHSA-N 409.486 1.789 0 50 HDAA COc1ccccc1CCCNC(=O)[C@@H]1CCC(=O)N(CCCN2CCOCC2)C1 15075176 RUGXGUXOMFJVJE-HXUWFJFHSA-N 417.550 1.705 0 50 HDAA COc1ccc(CN(C)CCN2CCOCC2)cc1OC[C@@H](O)CN1CCCCC1 20916247 CARHYAINAUSIRO-NRFANRHFSA-N 421.582 1.685 0 50 HDAA Cc1cccc(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N(C)CCc3cn[nH]c3)[C@@H]4C2=O)c1 77377798 DLVQEMSGSZUKIJ-GJPOJAMWSA-N 406.486 1.701 0 50 HDAA COc1ccccc1N1CCN([C@H]2CCCN(C(=O)CCN3CCOCC3)C2)CC1 95347273 SPZVWSLNYPQQJF-FQEVSTJZSA-N 416.566 1.531 0 50 HDAA COC(=O)C1=C(C(=O)OC)[C@@]23C=CC=C[C@@]24C[C@@H](C(C(=O)OC)=C4C(=O)OC)[C@H]13 100693647 KYPYYYMRGZJZCQ-RUSAIQRGSA-N 400.383 1.034 0 50 HDAA CC(=O)N[C@@H]1[C@H](Oc2ccc(C(C)=O)cc2)O[C@@H]2CO[C@H](c3ccco3)O[C@@H]2[C@@H]1O 253498567 NLFBZPXTFIBIDP-ZWJPJJENSA-N 417.414 1.566 0 50 HDAA CCc1nccn1CCC(=O)N1CCCN(C(=O)[C@H](O)c2ccc(F)cc2)CC1 1529154347 KVRCCSMAAKKOPL-HXUWFJFHSA-N 402.470 1.769 0 50 HDAA Cc1ccc2oc(N3CCC(C(=O)N4CCO[C@H]5C[C@H](CO)C[C@@H]54)CC3)nc2n1 1857667960 ZSVYRNSXHPOZHR-HFTRVMKXSA-N 400.479 1.746 0 50 HDAA CCc1[nH]nc(C(=O)NC[C@@H]2CN(CC3CCN(CC4CC4)CC3)C(=O)CO2)c1C 1857675489 ZMSPOYMEPLXTAY-GOSISDBHSA-N 417.554 1.360 0 50 HDAA CN(C)C(=O)CN1CCOC2(CCN(c3ncc4c(n3)CCCC4)CC2)CC1=O 1857681664 BQDCAKARVIPADK-UHFFFAOYSA-N 401.511 1.032 0 50 HDAA CCOC(=O)CN(C)c1ncc(CN2CCN(c3ccc(F)cn3)[C@@H](C)C2)cn1 1857682043 MLGVKZOXERPUAT-HNNXBMFYSA-N 402.474 1.721 0 50 HDAA O=C(c1ccc2c(c1)OCO2)N1CC[C@]2(C1)CN(C(=O)C1CCOCC1)CCO2 1857686922 ICMQCQBTADTZOC-NRFANRHFSA-N 402.447 1.285 0 50 HDAA O=C(CN1C[C@H](c2ccc3c(c2)OCO3)O[C@H](c2ccccc2)C1)N1CCNCC1 1857713380 XFBAXLBIMUUNIR-FCHUYYIVSA-N 409.486 1.962 0 50 HDAA Cn1ccnc1-c1ccc(N2C[C@@H]3OCCC(=O)N(Cc4ccccc4)[C@H]3C2)nn1 1857731097 KHMAKAQMBAZZAL-OALUTQOASA-N 404.474 1.883 0 50 HDAA O=C1CC[C@H](N2Cc3cc(-n4cc(-c5cncc(Cl)c5)nn4)ccc3C2=O)C(=O)N1 1875355400 JNFWAYLXHPSDSX-KRWDZBQOSA-N 422.832 1.744 0 50 HDAA C[C@H]1[C@H](O)[C@@H](O)[C@H]2CN(Cc3ccc(-n4cccn4)cc3)C[C@@H]2[C@H]1C(=O)NC1CC1 2356144120 JZYDCGMMKOJGIE-LEMCTRGDSA-N 410.518 1.187 0 50 HDAA Cn1ncc(I)c1C(=O)N1N=C(C(F)F)C[C@]1(O)C(F)F 1015992 VFWRXYXPMDZWHH-JTQLQIEISA-N 420.104 1.445 0 50 HDAA CC(C)S(=O)(=O)N1CC[C@@H]2[C@H](CCCN2C(=O)c2cc3c([nH]c2=O)CCCC3)C1 12219241 RNTWVEOZEQBCHW-VQIMIIECSA-N 421.563 1.918 0 50 HDAA CCn1cc(CNC(=O)C[C@@H]2C(=O)NCCN2Cc2ccc(OC)cc2F)cn1 12441652 MKNRZVTVIAZMGL-GOSISDBHSA-N 403.458 1.058 0 50 HDAA Cn1nc(C(=O)NCCCN2CCOCC2)c2c1CCN(Cc1cccc(O)c1)C2 14743366 WJUPCXPYWYPDBV-UHFFFAOYSA-N 413.522 1.136 0 50 HDAA CC(C)CCN1C(=O)N(CC(N)=O)C(=O)C12CCN(Cc1cccc(O)c1)CC2 14745652 AJGQELZKBKTSAF-UHFFFAOYSA-N 402.495 1.522 0 50 HDAA Cc1cccc(C(=O)N2CCN(CCNC(=O)C(=O)Nc3ccc(F)cc3)CC2)c1 19830673 TYIQUTOIJRVBBW-UHFFFAOYSA-N 412.465 1.647 0 50 HDAA CN1CCN(c2ccc(NC(=O)CN(c3ccccc3)S(C)(=O)=O)cc2)CC1 65363422 YZGIKDYOJCKSIT-UHFFFAOYSA-N 402.520 1.843 0 50 HDAA CN(CCc1ccccn1)C(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(Cc4cccnc4)C(=O)[C@H]13)O2 77515635 WTYNVXGDIZABQG-SRYPRDQNSA-N 404.470 1.460 0 50 HDAA OC[C@H](O)[C@H](O)[C@H](O)[C@H](O)C(SCc1ccccc1)SCc1ccccc1 100821420 XYJQPBTZELOVDP-VJANTYMQSA-N 410.557 1.615 0 50 HDAA CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@H]5C[C@@H]6[C@@H](OC)C[C@](O)([C@@H](C[C@@H]23)[C@@H]14)[C@H]5[C@H]6O 110257603 BDCURAWBZJMFIK-LHFPPZIDSA-N 421.578 1.531 0 50 HDAA Cc1cn2nc(C(=O)N3CCC(NC(=O)c4c(F)cccc4F)CC3)cc2c(=O)[nH]1 169776986 BVSUJCANVZVGFY-UHFFFAOYSA-N 415.400 1.644 0 50 HDAA CCOc1ccc(C(=O)NCC(=O)N2CC(=O)N(CC(F)(F)F)C2)cc1OCC 170612167 IYHKIOSJSDIUBA-UHFFFAOYSA-N 417.384 1.404 0 50 HDAA COc1ccc(C)cc1N1C[C@H](C(=O)NC[C@@H]2CCO[C@H]2c2ccnn2C)CC1=O 225573751 RJNQBDNIOCSAIF-GCKMJXCFSA-N 412.490 1.984 0 50 HDAA COc1ccc(CCNC(=O)[C@@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@@H]3OC(C)(C)O[C@@H]23)cc1 229990661 BOUFIJBMEBGOAP-VYIWNADRSA-N 407.463 1.750 0 50 HDAA Cn1c(=O)ccc2ccc(NC(=O)NCc3cccc(CS(N)(=O)=O)c3)cc21 683797735 RCYFKGRIXWFRQP-UHFFFAOYSA-N 400.460 1.649 0 50 HDAA CS(=O)(=O)N1CCC[C@H](c2nnc3sc(-c4ccc5c(c4)OCO5)nn23)C1 951727032 VESOBMYQIZAWEZ-NSHDSACASA-N 407.477 1.721 0 50 HDAA COC(=O)c1cc(OC)cc(C(=O)N2CC[C@@]34OC[C@@H](C(C)C)N3C(=O)C[C@@H]24)c1 1857730996 HEQJAURBNFYAMB-FVJLSDCUSA-N 402.447 1.680 0 50 HDAA NC(=O)C1(NC(=O)[C@@H]2CC(=O)N(c3nnc(Cc4ccccc4)s3)C2)CCCC1 1857735908 JPXHDXZGPWWUPS-CQSZACIVSA-N 413.503 1.396 0 50 HDAA O=C(NCc1cnc2c(c1)CN(C(=O)c1cc(C(F)F)[nH]n1)CC2)[C@@H]1CCCO1 1875246042 YBQVQQRMJWGWPG-INIZCTEOSA-N 405.405 1.736 0 50 HDAA CC(C)(C)OC(=O)N1CCN(c2n[nH]c(NC(=O)c3cnc4sccn34)n2)CC1 1875332509 VQSMQCPMAZRSPF-UHFFFAOYSA-N 418.483 1.823 0 50 HDAA COc1cccc(C[C@H]2[C@H]3C[C@H](CN(C(=O)CNC(N)=O)C3)c3cccc(=O)n32)c1 2356145218 GWJYAVZZZNRIQG-GJYPPUQNSA-N 410.474 1.255 0 50 HDAA O=C(CSc1nc(N2CCOCC2)nc(N2CCOCC2)n1)NC1CCCCC1 4810720 GITXHYIKCDFFFZ-UHFFFAOYSA-N 422.555 1.086 0 50 HDAA COc1cccc(C(=O)NCCn2cc(C(=O)N(C)Cc3ccccc3)nn2)c1OC 11981957 DCVCZTWKNQHKQX-UHFFFAOYSA-N 423.473 1.998 0 50 HDAA O=C(Nc1ccc(F)cc1)N[C@H]1C[C@H]2C(=O)N[C@H](Cc3ccc(O)cc3)C(=O)N2C1 14539169 HYNMSHHAXYUXLI-JQHSSLGASA-N 412.421 1.363 0 50 HDAA COC(=O)CCN1C[C@H](OCc2ccncc2)CN(C(=O)[C@@H]2CC=CCC2)CC1=O 14542851 JCKSGZRGUJHMBY-MOPGFXCFSA-N 415.490 1.557 0 50 HDAA COCCN1C(=O)N(Cc2cccnc2)C(=O)C12CCN(Cc1ccncc1)CC2 20449134 ULQNJWJYVGFMAH-UHFFFAOYSA-N 409.490 1.922 0 50 HDAA COc1ccc(OCC(=O)Nc2ccccc2C(=O)NCCN2CCOCC2)cc1 20707126 LXKNDLAUGMEYRX-UHFFFAOYSA-N 413.474 1.775 0 50 HDAA Cc1nc(N2CCN(C)CC2)ncc1-c1cc(=O)[nH]c(N2CCc3ccccc3C2)n1 39383771 YJKVEHDZCCREPW-UHFFFAOYSA-N 417.517 1.850 0 50 HDAA CCCCN1CCN([C@@H](C(=O)N2CCCN(C)CC2)c2ccccc2)C(=O)C1=O 77376576 DVQVLDFTYFGZCE-LJQANCHMSA-N 400.523 1.363 0 50 HDAA CCN1CCN(C[C@H](O)COc2cccc(CN3CCC4(CCO4)CC3)c2)CC1 95519616 WVVFJVRGIBQPPI-NRFANRHFSA-N 403.567 1.819 0 50 HDAA CN(C(=O)Nc1ccccc1S(=O)(=O)N1CCCCC1)[C@H]1CCS(=O)(=O)C1 170622812 VTELLVDJKBDVCM-AWEZNQCLSA-N 415.537 1.512 0 50 HDAA CCOC(=O)N1CCN(C(=O)[C@H]2[C@@H]3C(=O)N(c4ccccc4)C[C@@]34C=C[C@H]2O4)CC1 252430915 SFXVERHUKIUIFY-IDVKNYFZSA-N 411.458 1.274 0 50 HDAA O=C(NC[C@H]1CN(CC2CCN(CC3CC3)CC2)C(=O)CO1)c1ccc(CO)cc1 299783677 XKWURRJQGBSNQN-NRFANRHFSA-N 415.534 1.258 0 50 HDAA O=C([C@H]1CC(=O)N(c2n[nH]c3ccccc23)C1)N1C[C@@H]2C[C@@H](C1)[C@@H]1CCCC(=O)N1C2 888088398 WHPFBAXYJMNJEV-FPXQBCRKSA-N 421.501 1.775 0 50 HDAA NC(=O)COc1ccc(S(=O)(=O)N2CCc3nc[nH]c3[C@@H]2c2cccnc2)cc1 952873186 WTCWHRVEDPEUOA-IBGZPJMESA-N 413.459 1.005 0 50 HDAA Cc1ccc(NC(C)(C)C(=O)N2CCCN(S(=O)(=O)N3CCOCC3)CC2)cc1 1506430215 YQGKSJPBSJAJPI-UHFFFAOYSA-N 424.567 1.297 0 50 HDAA COc1nc(N2CC[C@@H](O)[C@]3(CCCN(C(=O)c4cnc(C)cn4)C3)C2)ncc1F 1857703242 NVZYCRQWZJJYHI-UZLBHIALSA-N 416.457 1.216 0 50 HDAA C[C@@H](NC(=O)c1ccc(Br)cn1)C(=O)N1CCc2cncnc2CC1 1875258980 CMHJQVQHKGZVLA-LLVKDONJSA-N 404.268 1.380 0 50 HDAA Cc1nn(CC2CC2)c(C)c1S(=O)(=O)NCc1cn(C(C)(C)C)c(=O)nc1O 1875345747 HVMOVLOIQUQETH-UHFFFAOYSA-N 409.512 1.406 0 50 HDAA O=C(NCc1nc(-c2cccs2)n[nH]1)C(=O)NCc1nc(Cc2ccccc2)no1 2325721178 VMFURARTRUXILE-UHFFFAOYSA-N 423.458 1.440 0 50 HDAA Cn1cc(C(F)(F)C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)ccc1=O 2325873043 WVGIVMMTLSRLQV-PSOLEGPJSA-N 417.456 1.891 0 50 HDAA Cc1cn2c(C(=O)NC[C@H]3C=C[C@@H](NC(=O)[C@@](C)(O)C(F)(F)F)C3)cnc2s1 2325876905 DUHCIHRPDLQLHI-LYOVBCGYSA-N 416.425 1.808 0 50 HDAA CNCc1ccc(NC(=O)c2cccc3c2CN([C@H]2CCC(=O)NC2=O)C3=O)cc1 2325896413 YCZDQWYMFADVEE-SFHVURJKSA-N 406.442 1.419 0 50 HDAA O=C1CC[C@@H](N2Cc3cc(NS(=O)(=O)c4cccc(F)c4)ccc3C2=O)C(=O)N1 2325897594 ZXWWJILBNJGFDA-MRXNPFEDSA-N 417.418 1.388 0 50 HDAA C=CCN1C(=O)C[C@H](C(=O)OC)C12CCN(Cc1cccn1-c1ncccn1)CC2 12135563 GCZXZPWCKCQYDM-GOSISDBHSA-N 409.490 1.809 0 50 HDAA CCN1CCN(C[C@H](O)COc2cccc(CNCCN3CCCCC3=O)c2)CC1 19744809 WYPISUMKDNEBMU-NRFANRHFSA-N 418.582 1.166 0 50 HDAA COc1ccccc1N1CCN([C@H]2CCCN(C(=O)C3=NN(C)C(=O)CC3)C2)CC1 61969707 JZURRGUTMSIYEZ-KRWDZBQOSA-N 413.522 1.416 0 50 HDAA Cc1nc(N2CCN(C)CC2)cc(N2CCN(C(=O)CCc3ccccc3)CC2)n1 67612691 PXVODVIQWTVRDC-UHFFFAOYSA-N 408.550 1.818 0 50 HDAA COc1cc(N2CCC3(CC2)CN(CCCN2CC[C@@H](N(C)C)C2)C(=O)O3)ncn1 77319849 KKOUYPILHRJBQG-QGZVFWFLSA-N 418.542 1.302 0 50 HDAA CN(CCC(=O)NCCNC(=O)OC(C)(C)C)[C@H]1CCN(c2ccccc2)C1=O 170599949 RSMJJVSIFFCFSJ-KRWDZBQOSA-N 404.511 1.755 0 50 HDAA CC[C@H](C)[C@H](CO)NC(=O)C[C@@H]1N=C(O)N(CCc2ccc(OC)c(OC)c2)[C@H]1O 252536775 JOFHZOMLDCBFMW-PEMDQYIBSA-N 423.510 1.076 0 50 HDAA CSCC[C@H](C(=O)NCC(=O)N1CCCC1)n1c(O)nc2ccccc2c1=O 888089840 KRMNPDKARMCMIJ-OAHLLOKOSA-N 404.492 1.135 0 50 HDAA Cc1ccc(CNC(=O)Cn2nc3n(c2=O)CCCCC3)c(O[C@H]2CCOC2)c1 1319609942 NHPLCSVQBPFTHV-KRWDZBQOSA-N 400.479 1.564 0 50 HDAA CC[C@@H](NC(=O)CCCN1CCN(C(C)C)CC1)c1cccc(S(N)(=O)=O)c1 1447943891 LTUCMHVCYGCJSV-LJQANCHMSA-N 410.584 1.708 0 50 HDAA COc1cc(CN2C[C@@H]3CN(C(=O)Cc4[nH]cnc4C)C[C@]3(CO)C2)ccc1F 1772804716 DCJMLRAOIAVFPP-IERDGZPVSA-N 402.470 1.361 0 50 HDAA CCc1ccc(CN2C[C@H]3CN(C(=O)Cc4c(O)n[nH]c4C)C[C@@]3(CO)C2)s1 1772811949 CCOWSJPRFAEQQP-VBKZILBWSA-N 404.536 1.543 0 50 HDAA COc1cccc(C(=O)N2CCC(C(=O)N3C[C@@H]4OCCC(=O)N(C)[C@H]4C3)CC2)c1 1857708171 IUIAZJZTKCBMNR-OALUTQOASA-N 415.490 1.006 0 50 HDAA CCOCc1nnc(N2C[C@H](C(=O)NCc3nc4ccc(F)cc4[nH]3)CC2=O)s1 1857740938 UDNBBCGFVROJLY-SNVBAGLBSA-N 418.454 1.759 0 50 HDAA CN(C)c1ncc(Br)cc1C(=O)NC[C@H]1CC2(CCNCC2)C(=O)O1 2325854368 AEKIZNQLGCZFMO-GFCCVEGCSA-N 411.300 1.325 0 50 HDAA O=C(COc1ccc(S(=O)(=O)N2CCCC2)cc1Cl)NC[C@H]1CCCO1 2874517 AHBZHCHJNGPMOC-CYBMUJFWSA-N 402.900 1.799 0 50 HDAA Cc1cccn2c(=O)c3cc(C(=O)N4CCN(C(=O)c5ccco5)CC4)n(C)c3nc12 2917266 UJBRRGUQDYTTLV-UHFFFAOYSA-N 419.441 1.686 0 50 HDAA COc1ccc(CNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)cc1 3020281 HCYSEMPNWZUIER-UHFFFAOYSA-N 408.451 1.785 0 50 HDAA COc1cc(CNCCOc2ccccc2)ccc1OC[C@H](O)CN1CCOCC1 12076766 VBMYEWAETJRGPP-HXUWFJFHSA-N 416.518 1.936 0 50 HDAA COc1ccc(CN2CCc3nnc(CCNC(=O)C4CCC4)n3CC2)c(OC)c1 19745375 LOYDGCQLHYUECL-UHFFFAOYSA-N 413.522 1.812 0 50 HDAA CCOC(=O)c1cc(C)nc2c1c(=O)n(CC(=O)Nc1cccc(C)c1)c(=O)n2C 20168569 DTCQARGASHSXLN-UHFFFAOYSA-N 410.430 1.527 0 50 HDAA Cc1ccc(S(=O)(=O)N2CCN(c3cc(N4CCOCC4)ncn3)CC2)cc1 38541694 UOLNVLWDWUZHNY-UHFFFAOYSA-N 403.508 1.133 0 50 HDAA CC(C)OCC(=O)N1CCc2ccc(S(=O)(=O)N3CC[C@H](N(C)C)C3)cc2C1 77504973 WUMPPOOXOSVTTO-SFHVURJKSA-N 409.552 1.321 0 50 HDAA CNC(=O)C(C)(C)NC(=O)[C@@H]1CCCN(C2CCN(Cc3cccnc3)CC2)C1 82115746 ZNQORBVGPMAHTP-GOSISDBHSA-N 401.555 1.399 0 50 HDAA O=C1N[C@H](CCC(=O)N2CCN(CCc3ccccn3)CC2)C(=O)Nc2ccccc21 169772657 GHFKYSSADKPBIN-HXUWFJFHSA-N 421.501 1.299 0 50 HDAA COCCCn1c(C)cc(C)c(C(=O)N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)c1=O 225410908 RCZLNOZSMOJEEO-MSOLQXFVSA-N 411.502 1.923 0 50 HDAA biogenic COCCCn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 241897183 TWIWCTQTEOPKDJ-GJZGRUSLSA-N 424.546 1.802 0 50 HDAA CCn1c(Cn2nnc(-c3ccccc3)n2)nn([C@H]2CC(=O)[C@H]3OC[C@H]2O3)c1=S 254294389 YNUJFARSOSVFDY-QEORTHHSSA-N 413.463 1.391 0 50 HDAA OC[C@H](Cn1cnc2c(N3CCCC[C@@H]3[C@@H]3CCC[C@@H]3O)ncnc21)[C@H]1CCOC1 888098002 WWKPXWDIPQGRTG-FKSLSLAPSA-N 415.538 1.991 0 50 HDAA COc1cc(-n2cnnn2)ccc1NC(=O)c1ccc(N(C)S(C)(=O)=O)cc1 952861122 DKLQABMMHUUVTG-UHFFFAOYSA-N 402.436 1.319 0 50 HDAA Cc1ccc(CCNC(=O)[C@@]23CCCN(C(=O)CCO)[C@H]2CN(C)CC3)cc1C 1857699021 FDUHOJVYUXQGSH-NZQKXSOJSA-N 401.551 1.657 0 50 HDAA COc1ccc2c(C)c(C(=O)N[C@@H]3CN(Cc4nc(C)no4)CC[C@@H]3O)oc2c1 1857701524 MNCKZEHCQOTIHV-CVEARBPZSA-N 400.435 1.806 0 50 HDAA O=C(c1nn(-c2ccc(Cl)cc2Cl)c(=O)cc1O)N1CC[C@H](O)[C@H](CO)C1 1857732746 DYWVYDBOIIKPRX-ZANVPECISA-N 414.245 1.060 0 50 HDAA COc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccc3c(c2)OCO3)cc1C 2875313 SMGPXBTXQAUDRS-UHFFFAOYSA-N 406.460 1.669 0 50 HDAA Cn1cc(Br)c(C(=O)Nc2ccc(N3CCOCC3)c3nonc23)n1 6828095 NXNHBYPKGAYBLI-UHFFFAOYSA-N 407.228 1.808 0 50 HDAA Cc1cccc2nc(CNC(=O)CCCn3nnnc3CN3CCC(C)CC3)cn12 11935693 QDBKLXQENQZGLO-UHFFFAOYSA-N 410.526 1.958 0 50 HDAA COc1ccc(OC[C@@H](O)CN2CCC(O)CC2)c(CN(C)Cc2nonc2C)c1 12591077 FJEKKZKDICZFOB-SFHVURJKSA-N 420.510 1.215 0 50 HDAA COc1ccc(CN2CCC(OC)CC2)c(OC[C@@H](O)CN2CCN(C)CC2)c1 19226145 DCZKHBJIEBLRJJ-IBGZPJMESA-N 407.555 1.293 0 50 HDAA Cn1nccc1C(=O)N1CCC[C@H](N2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 19635709 NOBVIZITJXGYAL-SFHVURJKSA-N 411.506 1.571 0 50 HDAA COCC(=O)N1CCC(Oc2ccc(C(=O)NC[C@H]3CCCN(C)C3)cc2)CC1 20863263 DYVLHQFAZUZEES-QGZVFWFLSA-N 403.523 1.774 0 50 HDAA CC[C@@H]1C(=O)NCCN1Cc1cnc(S(=O)(=O)CC)n1CCc1ccccc1 59311876 NUFRFQGPWXMXRK-GOSISDBHSA-N 404.536 1.630 0 50 HDAA CC(=O)Nc1ccc(S(=O)(=O)NCCNc2cc(N3CCCC3)ncn2)cc1 72115769 RNHDIADIDSAQCC-UHFFFAOYSA-N 404.496 1.426 0 50 HDAA O=C(Cn1c(Cc2ccccc2)nn(-c2ccc(Cl)cc2)c1=O)NCCCO 77322344 MXGVURSSIKJEDX-UHFFFAOYSA-N 400.866 1.777 0 50 HDAA Cc1ccc(N2C[C@]34C=C[C@H](O3)[C@H](C(=O)N(C)CCn3cccn3)[C@H]4C2=O)cc1C 77439704 FUIXIQDWTXWBDN-MXBUBSDBSA-N 406.486 1.945 0 50 HDAA C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N(C)C[C@H]1COc2ccccc2O1 240333222 FCIUEXVPNVTYNN-ZFWWWQNUSA-N 405.476 1.433 0 50 HDAA COC(=O)C[C@@H](c1cc(OC)c2c(c1)OCO2)c1c(O)ncc(C(=O)OC)c1O 253623952 VOAAHBQVVOSCEE-JTQLQIEISA-N 405.359 1.712 0 50 HDAA biogenic COCCn1ccc(=O)c(OCC(=O)N2CCc3cc(OC)c(OC)cc3C2)c1C 263585152 FPYBFAMOUYSMTL-UHFFFAOYSA-N 416.474 1.784 0 50 HDAA biogenic CN1CCN(C(=O)c2cnn3c2C[C@@H](CNCc2cccc4c2OCO4)CC3)CC1 328606794 TVPVFMMXOUNNCA-INIZCTEOSA-N 411.506 1.352 0 50 HDAA C[C@@H](C(=O)Nc1cccc(-c2n[nH]c(C3CC3)n2)c1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 462004565 BABFTMKRBDVJIS-SKPIDZIXSA-N 421.457 1.839 0 50 HDAA O=C(COc1ccc(F)cc1)NC[C@@H]1CCCN(C(=O)c2cnc(O)nc2O)C1 952964914 DUHBTGTUVSTWOE-LBPRGKRZSA-N 404.398 1.074 0 50 HDAA O=C(c1cnc(O)[nH]1)N1CCC(N2C[C@@H](COc3ccc(F)cc3)OCC2=O)CC1 1857673309 SLYYJTGZKGIION-INIZCTEOSA-N 418.425 1.165 0 50 HDAA CC(C)[C@H]1CN(CCn2cnc3c2c(=O)n(C)c(=O)n3C)C[C@@H](c2ccccc2)O1 1875248426 PHFZYJQSIJIJPD-MSOLQXFVSA-N 411.506 1.532 0 50 HDAA Cc1nc2c(c(=NCCn3ccnn3)[nH]1)CC[C@@]21CCCN(Cc2ccccn2)C1 1875251395 FUSPGJUZBZFJIF-JOCHJYFZSA-N 404.522 1.786 0 50 HDAA COc1ccc(CNc2nc(N(CCO)CCO)nc3c2ncn3C(C)C)cc1 1487345 NQVIIUBWMBHLOZ-UHFFFAOYSA-N 400.483 1.819 0 50 HDAA in-vitro COc1cccc(C(=O)NCCn2cc(C(=O)NCCc3ccccc3)nn2)c1OC 12128997 LBUCRWPUQCFOGC-UHFFFAOYSA-N 423.473 1.698 0 50 HDAA Cc1cc(CNC(=O)c2cccc(OC3CCN(S(=O)(=O)N(C)C)CC3)c2)on1 14969920 DFMAQRFHHYFEQR-UHFFFAOYSA-N 422.507 1.563 0 50 HDAA Cc1cccc(S(=O)(=O)N2CCN(c3cc(N4CCOCC4)nc(C)n3)CC2)c1 15671297 FYKCMJUFWZDDQS-UHFFFAOYSA-N 417.535 1.441 0 50 HDAA O=S(=O)(CC1CC1)c1ncc(CN2CCN(CC3CC3)CC2)n1C[C@@H]1CCCO1 22913942 OVLWXRYEYNEWCF-FQEVSTJZSA-N 422.595 1.773 0 50 HDAA O=C1CN(C[C@H](O)CO)C[C@H](OCc2cccc(F)c2)CN1CCc1ccccc1 39352626 GWGVUAHMDQBCFV-VXKWHMMOSA-N 416.493 1.451 0 50 HDAA CCOC(=O)CC1(NC(=O)C[C@H]2C(=O)NCCN2Cc2ccoc2)CCCCC1 39518771 RPDJPOYMBDOHBA-KRWDZBQOSA-N 405.495 1.742 0 50 HDAA CCN1CCN(C(=O)Cc2c(C)[nH]c3c(C)ccc(C)c23)[C@H]2CS(=O)(=O)C[C@H]21 77458648 CMJICTQBVOWLPN-MSOLQXFVSA-N 403.548 1.965 0 50 HDAA COc1ccc(-n2nc(Cc3ccccc3)n(CC(=O)NCCN(C)C)c2=O)cc1 77536226 WDGBGBAACVOVFR-UHFFFAOYSA-N 409.490 1.311 0 50 HDAA COc1ccc(NC(=O)CCCC[C@@H]2[C@H]3NC(=O)N[C@H]3CS2(=O)=O)cc1Cl 248149783 VLSHMHMVJFJDLO-BJJXKVORSA-N 415.899 1.695 0 50 HDAA Cc1ncnc(N2CCN(S(=O)(=O)c3cc(-c4cc[nH]n4)oc3C)CC2)c1C 952860376 NTJZDHYWADBQSU-UHFFFAOYSA-N 402.480 1.896 0 50 HDAA Cn1ccnc1CN1C[C@@H]2[C@H](C1)[C@@H]1CC[C@H]2N1CC(=O)N1CCOc2ccccc21 1857717235 ZIXSBSDMGQUEMI-QGFMHUBQSA-N 407.518 1.740 0 50 HDAA CCOCCC(=O)N1CCC[C@@]2(CCc3c2nc(C(C)(C)C)[nH]c3=NCCO)C1 1875245328 VLPYGCMUSRUIHR-JOCHJYFZSA-N 404.555 1.833 0 50 HDAA N=c1nc(COC(=O)c2ccc(=O)n(-c3ccccc3)c2)[nH]c(=Nc2ccccc2)[nH]1 1875352236 YFLNWLMXRKZSGD-UHFFFAOYSA-N 414.425 1.958 0 50 HDAA CN(CC1(CO)CCOCC1)C(=O)c1c(OCc2ccccc2)c(=O)ccn1C 1940196447 MJKKWFYILGZWIZ-UHFFFAOYSA-N 400.475 1.825 0 50 HDAA CC1=NC(=O)C2(CCN(C(=O)c3cc4c(s3)C3(CCNCC3)OCC4)CC2)N1 2356162841 RHKYAEMFSVEPKG-UHFFFAOYSA-N 402.520 1.423 0 50 HDAA Nc1nnc(SCc2cc(=O)[nH]c(N3CCN(c4ccccc4)CC3)n2)s1 9422316 DMCHTMOGQFLRJG-UHFFFAOYSA-N 401.521 1.823 0 50 HDAA O=C1NCCN(C2Cc3ccccc3C2)[C@@H]1CC(=O)N1CCN(C2CCCC2)CC1 11815595 YMCHIWLLTUQELQ-JOCHJYFZSA-N 410.562 1.431 0 50 HDAA Cc1nn(C)c(C)c1CN(C(=O)Cn1nnnc1CN1CCC(C)CC1)C1CC1 12593083 BGWNDRDBOAZRRK-UHFFFAOYSA-N 400.531 1.447 0 50 HDAA NC(=O)CN1C(=O)N(CCc2ccccc2)C2(CCN(Cc3ccncc3)CC2)C1=O 14535898 CNIPUCLHYMVDMH-UHFFFAOYSA-N 421.501 1.408 0 50 HDAA CCOC(=O)c1nn(CCc2ccccc2)c2c1CN(C(=O)C1=NNC(=O)CC1)CC2 14539448 VGGCBUIAHJGXMC-UHFFFAOYSA-N 423.473 1.453 0 50 HDAA CC(C)CN1CCNC(=O)[C@H]1CC(=O)N1CCN(Cc2cccc(Cl)c2)CC1 14973381 NLRVSHCPCAQKEA-LJQANCHMSA-N 406.958 1.831 0 50 HDAA CCc1ncc(CN2CC[C@@H](N3CCN(CCc4ccccc4)CC3)[C@H](O)C2)cn1 23360140 MAWJZAMIAUNWDQ-DHIUTWEWSA-N 409.578 1.835 0 50 HDAA O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 96006149 NZBVTTOSPFJGQK-IAGOWNOFSA-N 413.474 1.235 0 50 HDAA COc1ccc(N2C(=O)C[C@@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2=O)cc1 100051615 VDBOKNHSVAVMOC-LJQANCHMSA-N 423.469 1.874 0 50 HDAA Cc1ccc(C2(c3noc(CN(C)[C@H]4CS(=O)(=O)C[C@@H]4O)n3)CCCC2)cc1 206219796 FGIGZXFXTZBMSN-IRXDYDNUSA-N 405.520 1.828 0 50 HDAA COc1cc(CN[C@H]2CC[C@H](O)CC2)ccc1OC[C@@H](O)CN1CCSCC1 243957143 CGMZEBYHGDFWTD-FHWLQOOXSA-N 410.580 1.877 0 50 HDAA CCN1CCN(C[C@@H](O)COc2ccc(CN[C@H]3CC[C@H](O)CC3)cc2OC)CC1 257371963 FGBALXXCSBBDOG-NJDAHSKKSA-N 421.582 1.466 0 50 HDAA CC(C)N(C)S(=O)(=O)c1ccc(C(=O)N2CC(=O)N(CC(F)(F)F)C2)cc1 486285778 SAOKEGHNUVEZFU-UHFFFAOYSA-N 407.414 1.520 0 50 HDAA Cn1cc(CCC(=O)NCC2CCN(C(=O)Cc3ccc(O)c(F)c3)CC2)cn1 952986874 LMGWIDHMBPZDCW-UHFFFAOYSA-N 402.470 1.795 0 50 HDAA COC[C@@H]1CCCN(S(=O)(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 1506415437 BSRJLOWGRPESDQ-QGZVFWFLSA-N 411.524 1.136 0 50 HDAA COc1cccc([C@H]2CCN(C(=O)CN3CCN(c4ncccn4)CC3)C2)c1OC 1506424546 ASUPHZSFHMFFMS-KRWDZBQOSA-N 411.506 1.632 0 50 HDAA COc1cc(CN2C[C@H]3CN(C(=O)Cc4[nH]cnc4C)C[C@]3(CO)C2)ccc1F 1772804718 DCJMLRAOIAVFPP-KKSFZXQISA-N 402.470 1.361 0 50 HDAA CC(C)C[C@@H]1[C@H](C(=O)N2CCCCC2)C[C@@H]2CN(Cc3ccnn3C)CC(=O)N21 1857691154 WRVSSHOPLXLXNY-VAMGGRTRSA-N 401.555 1.880 0 50 HDAA O=C(NS(=O)(=O)c1cnc2ccsc2c1)c1cc(CC2CCNCC2)on1 2325860832 WOSLNYAWVPMYGJ-UHFFFAOYSA-N 406.489 1.945 0 50 HDAA NC(=O)CN1C(=O)[C@](O)(CC(=O)c2ccc(Br)s2)c2ccccc21 1122477 ICCXOHKRJKEDDR-INIZCTEOSA-N 409.261 1.803 0 50 HDAA Cc1c(NS(=O)(=O)c2ccc(O)c(C(=O)O)c2)c(=O)n(-c2ccccc2)n1C 2696808 XXZOTDHXSIGLDU-UHFFFAOYSA-N 403.416 1.689 0 50 HDAA CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)Nc3cccc(F)c3)c2)CC1 8287567 VIHWJYCMEWOEPI-UHFFFAOYSA-N 405.451 1.931 0 50 HDAA COc1ccccc1CC(=O)NCCn1cc(C(=O)NCc2ccccc2F)nn1 11782437 ZXZINUIUMGMGQP-UHFFFAOYSA-N 411.437 1.715 0 50 HDAA CC1CCN(Cc2nnnn2CC(=O)N2CCC[C@H](OCc3cccnc3)C2)CC1 11820867 LYJLLSUTCULGEV-IBGZPJMESA-N 413.526 1.508 0 50 HDAA Cc1cccc(C(=O)N2CCN3C(=O)[C@H](COCc4ccccc4)NC(=O)[C@H]3C2)c1 14744871 OZNUEWLDHRJKHC-VQTJNVASSA-N 407.470 1.363 0 50 HDAA Cn1c(=O)c(=O)n(C)c2cc(S(=O)(=O)N3CCC[C@H]3c3ccccc3F)ccc21 15671074 USNCMJBTBOSCIJ-INIZCTEOSA-N 417.462 1.902 0 50 HDAA NC(=O)[C@H]1CCCN(C(=O)c2coc(CN3CCN(Cc4ccccc4)CC3)n2)C1 20453554 VSBXSABLQCEMBH-SFHVURJKSA-N 411.506 1.330 0 50 HDAA CCN(CC)C(=O)Cn1c(=O)c2c(C(=O)OC)cc(C)nc2n(-c2ccccc2)c1=O 20573260 LFRLHBVBYRRIOM-UHFFFAOYSA-N 424.457 1.511 0 50 HDAA CCOc1ccc(CN2CCN(CCn3cc(C(=O)NC(C)C)nn3)CC2)cc1 23362160 JTFSRQYMULBXAH-UHFFFAOYSA-N 400.527 1.633 0 50 HDAA COc1cccc(-c2ccc(=O)n(CC(=O)N3CCN(c4ccccn4)CC3)n2)c1 40286305 BPBVEKSSYVPHJW-UHFFFAOYSA-N 405.458 1.663 0 50 HDAA COc1cccc(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N(C)Cc3nc(C)no3)[C@H]4C2=O)c1 77355397 WPIVLBSQVNPFIX-ZBPHCFQXSA-N 424.457 1.327 0 50 HDAA COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)[C@H](N)C1CCCCC1)CC2 95526908 GXUGWWKRTSPOPC-GOSISDBHSA-N 403.527 1.166 0 50 HDAA COc1ccc(CN2C=C(C(=O)OCc3nc(C)no3)C(C)=NS2(=O)=O)cc1 169755117 NJQFNVVZXAWXQL-UHFFFAOYSA-N 406.420 1.535 0 50 HDAA CN(Cc1cc(-c2cnn(C)c2)no1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 170597438 UVONCMAFSSDYJQ-UHFFFAOYSA-N 407.434 1.192 0 50 HDAA Cn1c(CCNC(=O)C[C@H]2NC(=O)N(CCc3ccccc3)C2=O)nc2ccccc21 223224605 BPWQSZGQXNBSSN-GOSISDBHSA-N 419.485 1.785 0 50 HDAA Cc1noc(CN2CCC(N3C[C@@H](COc4ccc(F)cc4)OCC3=O)CC2)n1 299755979 GTSXXFGKIDOVSD-SFHVURJKSA-N 404.442 1.788 0 50 HDAA O=C1CO[C@@H](COc2ccc(F)cc2)CN1C1CCN(CCn2cncn2)CC1 299792626 FGSHAAOHOSCIAX-LJQANCHMSA-N 403.458 1.188 0 50 HDAA Cc1cc(=NC(=O)c2cc(=O)n(C)c3ccccc23)n([C@@H]2CCS(=O)(=O)C2)[nH]1 334159178 VHKXVFKNSACLCA-CYBMUJFWSA-N 400.460 1.077 0 50 HDAA O=C(CN1C[C@H](CO)c2ccccc21)NCc1ccc(C(=O)N2CCOCC2)cc1 433300714 DYMHCVXAXGIDGA-LJQANCHMSA-N 409.486 1.371 0 50 HDAA Cn1c(=O)n(C)c2cc(S(=O)(=O)N3C[C@H](CC(=O)O)c4ccccc43)ccc21 736423471 NPMGDXXTMZMJHT-LBPRGKRZSA-N 401.444 1.644 0 50 HDAA COC(=O)COCC(=O)N1CC[C@@](c2nc(-c3ccccn3)no2)(C(F)(F)F)C1 952892645 IHHCIQIIKQHKGD-MRXNPFEDSA-N 414.340 1.354 0 50 HDAA OC1CN(c2nc(-c3cccnc3)nc3c2CC[C@@]32CCCN(Cc3ncc[nH]3)C2)C1 1875250194 FJJXXNCTZWUQNH-HSZRJFAPSA-N 417.517 1.923 0 50 HDAA CCOC(=O)c1cc(S(=O)(=O)Nc2cc(C(C)C)nn2-c2ncccn2)n[nH]1 2325842443 YQPSPYRGICVHTL-UHFFFAOYSA-N 405.440 1.486 0 50 HDAA Cn1c(=O)c2c(nc(Sc3nc4ncc(Br)cc4[nH]3)n2C)n(C)c1=O 1422250 PHUHJKLNCWRURD-UHFFFAOYSA-N 422.268 1.156 0 50 HDAA O=C(C[C@H]1C(=O)NCCN1C/C=C/c1ccccc1)NCCc1cn2ccccc2n1 12307077 VBZAUUMAVFLJKJ-JLXBBBJOSA-N 417.513 1.897 0 50 HDAA C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)N1C(=O)N[C@]2(CCCC[C@H]2C)C1=O 248004633 FZVUNNNJSHRHJS-PZPWOCDFSA-N 416.478 1.453 0 50 HDAA COc1ccsc1C(=O)N1CCC[C@@H](n2ncc(N3CCOCC3)cc2=O)C1 328606529 RXRAIMFLWZFYER-CQSZACIVSA-N 404.492 1.627 0 50 HDAA Cc1nc(C)c(C(=O)Nc2ccc(S(=O)(=O)N3C[C@@H]4C[C@H]5C[C@H]4[C@@H]3[C@H]5O)cc2)o1 408521179 KQZIFDDRZUJNTE-QXWBOSQLSA-N 417.487 1.934 0 50 HDAA CSc1ncc(CNC(=O)C[C@H]2C(=O)NCCN2Cc2ccccc2C)n1C 426581329 SXLMHLYSFRMOKJ-KRWDZBQOSA-N 401.536 1.457 0 50 HDAA CC(C)[C@@H](NC(=O)N1CCO[C@]2(CCS(=O)(=O)C2)C1)c1nc2ccccc2[nH]1 1477750415 TUEQNBYKFKCLMF-VQIMIIECSA-N 406.508 1.859 0 50 HDAA CN(C)S(=O)(=O)C[C@@H]1CN(Cc2c(-c3ccccc3)nc3ncccn23)C[C@H]1O 1529119031 RLFGKIZSCIJCKC-FUHWJXTLSA-N 415.519 1.080 0 50 HDAA COCCn1ccnc1CN1C[C@@H]2CN(Cc3ccoc3)C[C@@]2(CCC(=O)O)C1 1772709496 HVQXWMRMXUMSQD-RXVVDRJESA-N 402.495 1.921 0 50 HDAA CCN1CCNC(=O)[C@H]1CC(=O)NCc1nc(-c2ccc(OC)c(O)c2)oc1C 1857671135 NUQKQOBQZNMDIM-OAHLLOKOSA-N 402.451 1.191 0 50 HDAA CCCO[C@@H]1CC[C@H](C(=O)NCc2ccc3nc[nH]c3c2)C[C@H]1NC(=O)COC 1857683492 HKRDPMVHKLISPH-KFKAGJAMSA-N 402.495 1.906 0 50 HDAA CCOC(=O)[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CCN(C(=O)c1cnc(O)[nH]1)C2 1857692786 ULFRXQBSMWNOCS-STXHMFSFSA-N 406.483 1.012 0 50 HDAA O=C(c1ccc(-n2cnnn2)cc1)N1CC[C@H]2[C@@H]1CC(=O)N2C1Cc2ccccc2C1 1857707216 IWLPPEQHFRTZCC-SFTDATJTSA-N 414.469 1.645 0 50 HDAA C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3nc(C4CC4)n[nH]3)cc2)C[C@@H](C)O1 1875332247 NNFXJPCDYWCOMB-VXGBXAGGSA-N 405.480 1.732 0 50 HDAA Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)N2CC[C@@]3(CCC(=O)N3)C2)cc1 1875345130 SIYDLKHLKNESPF-XLIONFOSSA-N 405.520 1.419 0 50 HDAA Cc1cc(Br)cc(S(=O)(=O)NCCCCn2cc(C(=O)O)nn2)c1 2325870529 BSOPLKGATMJCQJ-UHFFFAOYSA-N 417.285 1.806 0 50 HDAA CO[C@@H]1CN(C(=O)c2cnc(Cl)[nH]2)C[C@@H]1NC(=O)/C=C\COCC(F)(F)F 2325872685 JJEIVXQMMNCXDV-MMJBKMRYSA-N 410.780 1.154 0 50 HDAA COc1ccc(C(=O)NC(=S)N2CCOCC2)cc1I 675678 KRTNAMNUYMNRLE-UHFFFAOYSA-N 406.245 1.647 0 50 HDAA Cc1nnc(CN(C)C(=O)C[C@H]2C(=O)NCCN2Cc2c(F)cccc2Cl)o1 15077314 FBQSYEVBWMWJON-HNNXBMFYSA-N 409.849 1.520 0 50 HDAA CCCN1C[C@H](C(=O)NCCNS(=O)(=O)c2ccc(Cl)cc2)CCC1=O 55154716 AHJQIUHDSLIOGJ-CYBMUJFWSA-N 401.916 1.383 0 50 HDAA CCOC(=O)N1CCC(NC(=O)C[C@H]2C(=O)NCCN2Cc2cccs2)CC1 55244367 HEVZUTCWYKTLAE-INIZCTEOSA-N 408.524 1.176 0 50 HDAA CCS(=O)(=O)c1ncc(CN2CCN(C)C(=O)[C@@H]2C)n1CCCc1ccccc1 55253134 MEBLFJGGLHTXCG-KRWDZBQOSA-N 418.563 1.972 0 50 HDAA O=C(CN1C(=O)NC2(CCS(=O)(=O)CC2)C1=O)Nc1cccc(C(F)(F)F)c1 169772587 RBRJWMLTPHIWST-UHFFFAOYSA-N 419.381 1.143 0 50 HDAA COc1ccc(C(=O)COC(=O)CCN2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]5C[C@H]54)[C@H]3C2=O)cc1 195366547 SLTUBUZMCCFPDR-XYNCURNNSA-N 409.438 1.864 0 50 HDAA COC(=O)C[C@H](C)N1CCN(C(=O)[C@H](Cc2ccccc2)N2CCCOC2=O)CC1 225439541 QUVRZBWXEVAEGU-HKUYNNGSSA-N 417.506 1.536 0 50 HDAA O=C(O)[C@H]1[C@H]2CC[C@@H](O2)[C@@H]1C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 225747117 OKDJJEATYLQQOR-MQYQWHSLSA-N 423.472 1.761 0 50 HDAA O=C1[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1CC(=O)N1CCC[C@@H]1c1nnc2n1CCCCC2 247728143 DYGMQKUYEVRSDO-ZWHCBUBPSA-N 409.490 1.475 0 50 HDAA COC(=O)c1cn(-c2ccc(Cl)c(C(=O)NCCC(=O)O)c2)cc2c(=O)[nH]nc1-2 253407106 JNRPXNURONMMAV-UHFFFAOYSA-N 418.793 1.310 0 50 HDAA O=C(NC1(C(F)(F)F)CC1)[C@H]1CN(S(=O)(=O)c2ccccc2Cl)CCO1 253426710 IIDFPGAWKSGODQ-LLVKDONJSA-N 412.817 1.941 0 50 HDAA Cc1noc(C)c1C(=O)NC[C@H]1CN(CC2CCN(CC3CC3)CC2)C(=O)CO1 299757324 LPGUKUQFZDOYFF-SFHVURJKSA-N 404.511 1.371 0 50 HDAA C[C@@H](C(=O)N1C[C@H]2CCC[C@@]2(c2nc(Cc3ccccc3)no2)C1)S(C)(=O)=O 328603636 GUJSUADBNJWKMV-YYFZDKIDSA-N 403.504 1.974 0 50 HDAA O=C(CN1C(=O)Cn2c(cc3ccccc32)C1=O)Nc1cc([C@@H]2CCCOC2)[nH]n1 473415605 VXXUKTYQQLJUEM-CQSZACIVSA-N 407.430 1.880 0 50 HDAA CS(=O)(=O)NC1CCN(C(=O)CCSc2nnc(-c3ccncc3)o2)CC1 827913358 YHUVSVPNASXORS-UHFFFAOYSA-N 411.509 1.154 0 50 HDAA Cc1cc(C)n(CCC(=O)N2C[C@H]3CN(C(=O)c4csc(C)n4)C[C@]3(CO)C2)n1 1772811961 CNYNDWBHNYMNKD-JXFKEZNVSA-N 417.535 1.248 0 50 HDAA Cc1nc(O)c2c(n1)[C@@]1(CCCN(c3ncc(F)c(N4CCOCC4)n3)C1)CC2 1857696697 LZWZZAHRKPBZNB-FQEVSTJZSA-N 400.458 1.741 0 50 HDAA CC[C@H]1[C@@H](C(=O)NC2CC2)C[C@H]2CN(C(=O)c3ccc(-c4nc[nH]n4)cc3)CC(=O)N21 1857697351 QWCMYYPVLJJNIB-BZSNNMDCSA-N 422.489 1.202 0 50 HDAA C[C@]1(c2ccc(C(=O)N3CCN(C(=O)CC4CCCC4)CC3)cc2)NC(=O)NC1=O 1875262484 KGMWHEDDEREHSY-JOCHJYFZSA-N 412.490 1.606 0 50 HDAA CC(=O)NC[C@@H]1[C@@H](c2ccccc2)[C@]12CN(C(=O)c1cnc3cccnn13)C[C@@H]2O 2100544734 HFZUAUPAFKIQAK-HOQQESESSA-N 405.458 1.082 0 50 HDAA CC(=O)NC1(CC(=O)N2C[C@@H]3CCC[C@H](NC(=O)c4n[nH]c5ccccc45)[C@H]3C2)CC1 2325823814 FSOJYOGQYOHNFL-SZMVWBNQSA-N 423.517 1.979 0 50 HDAA CCOC(=O)C1=C(N)N2C(=O)[C@@H](C)SC2=C(C(=O)OCC)[C@@H]1c1ccc(O)cc1 1076528 BXZKMYPJYDCNQH-ZWNOBZJWSA-N 418.471 1.961 0 50 HDAA CCCS(=O)(=O)c1ncc(CN(C)Cc2cn(C)nc2C)n1C[C@@H]1CCCO1 12207409 SLGNVKQRMLOQFF-SFHVURJKSA-N 409.556 1.920 0 50 HDAA Cc1c(C(=O)NC(C)(C)CO)sc2ncnc(NCCCN3CCOCC3)c12 19798580 BVNQLRGRFAPLKS-UHFFFAOYSA-N 407.540 1.635 0 50 HDAA COc1cc(CN2CCc3nnc(CNC(=O)[C@H]4CCOC4)n3CC2)cc(OC)c1 19838712 PXMFGDRZQYNPGL-INIZCTEOSA-N 415.494 1.006 0 50 HDAA CS(=O)(=O)N1CCC(C(=O)N2CCN(Cc3c(F)cccc3Cl)CC2)CC1 20044941 HXCPFJVSKDCOJL-UHFFFAOYSA-N 417.934 1.795 0 50 HDAA COc1ccc(CCN2CCC[C@@H](CN(C)C(=O)c3c[nH]c(=O)[nH]c3=O)C2)cc1 95507679 DVADSUCRSWUDDE-INIZCTEOSA-N 400.479 1.099 0 50 HDAA Cc1ccccc1C[C@@H](C)N(C)C(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 225564169 JDGTXDORCPRNJP-WBVHZDCISA-N 405.520 1.550 0 50 HDAA COCCS(=O)(=O)Cc1cccc(S(=O)(=O)N2[C@@H](C(=O)O)CCC2(C)C)c1 252488014 IGXQRPLBGKUGKG-OAHLLOKOSA-N 419.521 1.264 0 50 HDAA CCN(CC)C(=O)CN1CCC(N2C[C@H](COc3ccc(F)cc3)OCC2=O)CC1 299775888 LLDZQLVZUMOGMU-HXUWFJFHSA-N 421.513 1.765 0 50 HDAA CCN(C)c1ccc(CN2CCC[C@H](n3ncc(N4CC[C@H](O)C4)cc3=O)C2)cn1 328603133 DXUUKNSGGIKSGG-ICSRJNTNSA-N 412.538 1.503 0 50 HDAA Cn1ncc2c(O)nc(CCC(=O)Nc3ccc(F)c(N4CCCNC4=O)c3)nc21 807818690 MUKHURLOAZLMFD-UHFFFAOYSA-N 413.413 1.699 0 50 HDAA Cc1cc(N2CCN(Cc3ccc(Sc4nncn4C)o3)CC2)n2ncnc2n1 825138919 KBDXLWJKVKRVSM-UHFFFAOYSA-N 411.495 1.628 0 50 HDAA Cc1ccccc1CN1CCNC(=O)[C@H]1CC(=O)NCc1ccc2nc(O)[nH]c2c1 827801717 VUEYERUVUZYTGO-LJQANCHMSA-N 407.474 1.584 0 50 HDAA CN1Cc2ccccc2C[C@H]1CN(C)S(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C 952971404 JAFPKUODDRMZFW-KRWDZBQOSA-N 414.531 1.554 0 50 HDAA CCN1CCNC(=O)[C@@H]1CC(=O)N1CCC(CNC(=O)c2ccc(F)cc2)CC1 952980488 HCBWULUSWQPSJC-SFHVURJKSA-N 404.486 1.005 0 50 HDAA Cc1ncsc1CCC(=O)NCC1CCN(c2nc(N)nc3[nH]cnc23)CC1 1506412474 YVSNBNIBIZBHPA-UHFFFAOYSA-N 400.512 1.665 0 50 HDAA O=C(Cc1ccccc1O)NC[C@H]1CN(CC2CCN(CC3CC3)CC2)C(=O)CO1 1857697850 OYBPLMAEDHMTRQ-FQEVSTJZSA-N 415.534 1.400 0 50 HDAA CCc1ncc(S(=O)(=O)N2CCC3(CC2)OCCc2cc(C(=O)O)sc23)[nH]1 1857707624 WMDPBEHCGMXDET-UHFFFAOYSA-N 411.505 1.985 0 50 HDAA O=C(c1cnc2ccccn2c1=O)N1C[C@@H](O)[C@H](Cc2ccc3ccccc3n2)C1 1857718293 RXCAWHGIVTXIIY-OXQOHEQNSA-N 400.438 1.918 0 50 HDAA CN1CCN(C(=O)NCCNC(=O)c2n[nH]c3ccccc23)[C@H](c2ccccc2)C1 2325703433 DFMCQEGAUSMEBO-IBGZPJMESA-N 406.490 1.991 0 50 HDAA O=C(C(=O)N1CCC(F)(F)[C@]2(CCOC2)C1)N1CCC(F)(F)[C@]2(CCOC2)C1 2325816876 IREMKAUAGMUBBH-HZPDHXFCSA-N 408.392 1.535 0 50 HDAA CN(C)c1ccc(C(=O)N[C@@H]2c3ccccc3C[C@H]2NC(=O)C2(C(N)=O)CCC2)cc1 2325860587 MBQXMXYPJDVWNQ-WOJBJXKFSA-N 420.513 1.920 0 50 HDAA CCOC(=O)N1CCN(S(=O)(=O)c2ccc(Br)c(OC)c2)CC1 1926017 WIAYJLPYJRJIOW-UHFFFAOYSA-N 407.286 1.921 0 50 HDAA COCCCN1C(=O)C[C@@](CC(=O)N[C@@H](CC(C)C)C(N)=O)(c2ccccc2)C1=O 11882269 KYUBKFFLEDEWBP-JTSKRJEESA-N 417.506 1.126 0 50 HDAA O=C(NC1CCCCC1)N[C@H]1C[C@H]2C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N2C1 14732376 QMLVYGLLZOZWMW-SZMVWBNQSA-N 400.479 1.035 0 50 HDAA CCc1cc(C(=O)OC)c(NC(=O)CN2CCN(C(=O)[C@@H]3CCCO3)CC2)s1 35802746 QIWGHGXLTYOHRT-HNNXBMFYSA-N 409.508 1.359 0 50 HDAA COc1cccc(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N(C)Cc3nc(C)c[nH]3)[C@H]4C2=O)c1 77488618 IZZFJOKEVJZAFH-UDSSINMLSA-N 422.485 1.667 0 50 HDAA Cc1cccc(CN2CCN(C(=O)CC[C@]3(CCC(=O)O)CCC(=O)N3)CC2)c1 223678949 PEKKCCJUWKSJTK-QFIPXVFZSA-N 401.507 1.933 0 50 HDAA Cc1ccc([C@@H]2c3sc(=O)[nH]c3S[C@H](C(=O)O)[C@]2(CC(=O)O)C(=O)O)cc1 245285361 WRUHORRQWZLJMU-ILMHXZGMSA-N 409.441 1.981 0 50 HDAA CC(=O)N1CCCC[C@@H]1CCS(=O)(=O)N1CCC[C@@H]1CN1C[C@@H](C)O[C@H](C)C1 253432819 OOFKIKYAMIQVKB-HNBVOPMISA-N 415.600 1.681 0 50 HDAA COC(=O)c1cn(CCC(=O)Nc2ccc(OC)cc2OC)cc2c(=O)[nH]nc1-2 263588744 XWYITKWELSJTDQ-UHFFFAOYSA-N 400.391 1.509 0 50 HDAA O=C1CCCN1CCN1CCC(N2C[C@@H](COc3ccc(F)cc3)OCC2=O)CC1 299778005 LYMRLSHMLJMTRC-FQEVSTJZSA-N 419.497 1.519 0 50 HDAA Cc1cc(CN2C[C@@H]3CN(CCS(=O)(=O)c4ccccc4)C[C@]3(CO)C2)on1 1772803909 AKAVKGBSHZTGJZ-FXAWDEMLSA-N 405.520 1.183 0 50 HDAA Cc1[nH]nc(CN2C[C@@H]3CN(C(=O)c4cnc(C5CC5)nc4)C[C@@]3(CO)C2)c1Cl 1772813537 GLNSWLIBJAASDO-FOIQADDNSA-N 416.913 1.605 0 50 HDAA Cn1ncc2c1CCN[C@H]2C(=O)N1CCO[C@@H](c2ccccc2Br)C1 1857530275 LHXMWUSKNGPHEC-IAGOWNOFSA-N 405.296 1.970 0 50 HDAA O=C(CCCc1cn[nH]c1)NC[C@H]1CN(CC2CCN(CC3CC3)CC2)C(=O)CO1 1857677728 BHDHWVYYOIKNNX-FQEVSTJZSA-N 417.554 1.198 0 50 HDAA Cc1cc(=O)c2ccccc2n1CC(=O)NC[C@@H]1CCC[C@H](NS(C)(=O)=O)C1 1857698498 VCEPOCHHJLZIBE-CVEARBPZSA-N 405.520 1.534 0 50 HDAA Cc1cc(=O)c2ccccc2n1CC(=O)N1C[C@@H](O)[C@]2(C1)[C@H](c1ccccc1)[C@H]2CO 1857724515 ZJLQXKBCMTZBIK-YGKWIVMXSA-N 418.493 1.905 0 50 HDAA CC[C@H]1[C@@H](C(=O)OC)C[C@H]2CN(C(=O)c3cc4c(nc3O)CCCC4)CC(=O)N21 1857730182 ZTZIDWSAPPMPIL-ZQIUZPCESA-N 401.463 1.291 0 50 HDAA O=C(c1ccc2oc(O)nc2n1)N1CC[C@H]2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C[C@H]2C1 1875331727 ADFPBBMHDQVAQO-GVQGKUIYSA-N 424.457 1.272 0 50 HDAA COC(=O)[C@H](C)NC(=O)[C@@H](c1ccccn1)N(C(=O)c1ccccc1)c1cnn(C)c1 2325826960 QTTKVWOMDDVACB-HNAYVOBHSA-N 421.457 1.881 0 50 HDAA O=C1CC[C@H](N2Cc3c(C(=O)N[C@@H]4CCc5ccccc54)cccc3C2=O)C(=O)N1 2325895951 NELXLEPLQRSMEF-MOPGFXCFSA-N 403.438 1.865 0 50 HDAA COc1ccc(OCC(=O)N2CCC(n3cc(C(=O)NCC(C)C)nn3)CC2)cc1 11788686 DFGGYUOXRQGKSH-UHFFFAOYSA-N 415.494 1.915 0 50 HDAA Cc1ccc(C2(O)CCN(Cc3cnc4c(S(C)(=O)=O)cnn4c3)CC2)nc1 67739947 CQJCMVSGJLZGRN-UHFFFAOYSA-N 401.492 1.320 0 50 HDAA CCCCN1CCN([C@H](C(=O)N2CCCn3cncc3C2)c2ccccc2)C(=O)C1=O 77298157 HOHXHGJGWGTBJO-FQEVSTJZSA-N 423.517 1.828 0 50 HDAA COCCN(CCOC)S(=O)(=O)C[C@@H]1CCN(C(=O)OCc2ccccc2)C1 241121731 JDNNSOBKISLYRL-GOSISDBHSA-N 414.524 1.570 0 50 HDAA Cc1nc(C)c(C(=O)N2CCC[C@@H](n3ncc(N4CCOCC4)cc3=O)C2)s1 328607519 WEHZOMNQPCVWIV-OAHLLOKOSA-N 403.508 1.631 0 50 HDAA Cc1cccc(N(CC(=O)NCc2nc(-c3ccccn3)no2)S(C)(=O)=O)c1 827825675 BVFFMAXLKGACCU-UHFFFAOYSA-N 401.448 1.522 0 50 HDAA O=C(c1nnc(O)c2ccccc12)N1CCc2nnc(Cc3cccnc3)n2CC1 1506419319 ZAHMHYUMLZTMFG-UHFFFAOYSA-N 401.430 1.611 0 50 HDAA CN(C)C(C)(C)CNC(=O)[C@@H]1CC(=O)N(c2nnc(Cc3ccccc3)s2)C1 1857716652 CTSLKVZKXXWXHG-OAHLLOKOSA-N 401.536 1.938 0 50 HDAA O=C(c1cn2c(n1)CCNCC2)N1CCC2(CC1)C[C@@H](O)C[C@H](c1ccccc1)O2 1857718961 BOSOOURAJBYLHK-AZUAARDMSA-N 410.518 1.916 0 50 HDAA CCCO[C@H]1C[C@@H](C(=O)NCC(N)=O)CC[C@@H]1NC(=O)C1Cc2ccccc2C1 2100545150 QSDHJIXNTZJYRY-WDSOQIARSA-N 401.507 1.083 0 50 HDAA CCN1C[C@@H](C(=O)N2CCCC[C@H](NC(=O)c3c(F)cc(N)cc3F)C2)CCC1=O 2325864336 MKCDBIRKCCKBQX-ZFWWWQNUSA-N 422.476 1.916 0 50 HDAA COc1ccc(CCN2C(=O)O[C@@H]3CN(c4nc(OC)cc(OC)n4)C[C@@H]32)cc1 12076683 GGCNHLJTZLGIPF-JKSUJKDBSA-N 400.435 1.755 0 50 HDAA CN1CCN(C(=O)C[C@H]2C(=O)NCCN2Cc2ccc(-c3ccccc3)cc2)CC1 13636583 RTPSMZLHPXVCDI-QFIPXVFZSA-N 406.530 1.818 0 50 HDAA COc1cccc(CN2C[C@H](OCC3CC3)CN(C(=O)c3cnccn3)CC2=O)c1 14753658 DOKRFAFKLBFNJL-IBGZPJMESA-N 410.474 1.765 0 50 HDAA CN1CCCN(C(=O)c2cn(CCNC(=O)Cc3cccc4ccccc34)nn2)CC1 14982851 KTPKMTNYLFJITD-UHFFFAOYSA-N 420.517 1.568 0 50 HDAA CCOc1ccc(N([C@H](CC)C(=O)N2CCC(C(N)=O)CC2)S(C)(=O)=O)cc1 65365067 BASOZTADSYCSTM-QGZVFWFLSA-N 411.524 1.354 0 50 HDAA Cc1nc(N2CCOCC2)cc(N2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)n1 67604316 BVKOQIWTBUFCDJ-UHFFFAOYSA-N 420.517 1.994 0 50 HDAA Cc1nnc(CN(C)C(=O)[C@@H]2[C@@H]3C=C[C@@]4(CN(c5ccc(C)c(C)c5)C(=O)[C@@H]24)O3)o1 77535272 PUSUSNXRRREDMT-VGYLUTEMSA-N 408.458 1.940 0 50 HDAA CCOC(=O)c1ccc(F)c(S(=O)(=O)Nc2ncn(Cc3ccncc3)n2)c1 241644350 PQBVXRDQTRPKCC-UHFFFAOYSA-N 405.411 1.838 0 50 HDAA COc1ccc2[nH]cc(CCNC(=O)C[C@@H]3NC(=O)N(Cc4ccco4)C3=O)c2c1 263584913 CAUSPMAGWCTCDH-SFHVURJKSA-N 410.430 1.939 0 50 HDAA biogenic CN(CC1(N2CCCCC2)CCCCC1)C(=O)c1cc2n(n1)C[C@@H](O)CNC2=O 426489691 SGHNAAPCBFQXFK-INIZCTEOSA-N 403.527 1.248 0 50 HDAA CN1CCC(N2CCC[C@@H](C(=O)N3CCN(c4ccc5nccn5n4)CC3)C2)CC1 426683685 BMVSMCFCZABURW-GOSISDBHSA-N 411.554 1.184 0 50 HDAA CC[C@@]1(C(=O)N2C[C@H](C)O[C@H](C)C2)C[C@@H]2CC[C@H]1N2C(=O)Cn1cccnc1=O 1857677112 XNJRGTHMIKCYBQ-IXBXCVQTSA-N 402.495 1.039 0 50 HDAA COC(=O)[C@H]1C[C@H]2CN(C(=O)c3onc4ncccc34)CC(=O)N2[C@H]1c1ccccc1 1857715755 GMWYXQAXHJVJDJ-ZVZYQTTQSA-N 420.425 1.810 0 50 HDAA CCn1nccc1C1CCN(c2ncnc3c2ncn3CC2(O)CCOCC2)CC1 1875269215 NFLQRJZYSMKKOW-UHFFFAOYSA-N 411.510 1.968 0 50 HDAA CC1(C)CCCN(C(=O)c2ccn(C(C)(C)C)n2)[C@@H]1CNC(=O)CSCC(N)=O 1875347327 LALUPDQABCTZFZ-OAHLLOKOSA-N 423.583 1.604 0 50 HDAA C=CC(=O)NCc1nc2c(s1)CCN(C(=O)[C@@H]1CC(=O)N([C@@H](C)CCC)C1)C2 1875386423 PUOJKDQKHHIQHK-UONOGXRCSA-N 404.536 1.867 0 50 HDAA C[C@H](NS(=O)(=O)c1ccc(F)cc1)c1nc(-c2ccc(CC(N)=O)cc2)no1 2325736307 DHXANOHFWDEDQD-NSHDSACASA-N 404.423 1.943 0 50 HDAA O=C1CC[C@H](N2Cc3ccc(C(=O)Nc4ccc5c(c4)CNC5)cc3C2=O)C(=O)N1 2325897410 WFUYPNVMZHKGKR-SFHVURJKSA-N 404.426 1.303 0 50 HDAA CCOC(=O)[C@@H](CC)Sc1nc2c(c(=O)[nH]c(=O)n2C)n1C/C=C(/C)Cl 2361906 WCEQHYBVVNNHCD-UJICNMFASA-N 400.888 2.000 0 50 HDAA CC(C)C[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O 4099087 UCNNZELZXFXXJQ-BZSNNMDCSA-N 407.511 1.408 0 50 HDAA biogenic,in-vitro O=C(NCCn1nc(-c2ccccc2)ccc1=O)c1cn(CCN2CCCCC2)nn1 12703837 FSXLLDOBNCXYBI-UHFFFAOYSA-N 421.505 1.418 0 50 HDAA Cn1nc(C(=O)N2CCSCC2)c2c1CC[C@@H](NCc1ccc3c(c1)OCO3)C2 14740654 XYKUBOKCLTZCKD-OAHLLOKOSA-N 414.531 1.985 0 50 HDAA COc1cccc(CN2C[C@H](C(=O)NCc3nc4ccccc4c(=O)[nH]3)CCC2=O)c1 14980132 UXUMKVAOCCRJLF-MRXNPFEDSA-N 420.469 1.987 0 50 HDAA c1cncc(CN2CCCN(c3nc4nonc4nc3N3CCSCC3)CC2)c1 15062327 KTEQXHVMVAYMTO-UHFFFAOYSA-N 412.523 1.673 0 50 HDAA CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1cc(-c2cc(OC)ccc2OC)on1 225615999 JBXUMNSWKDGOMF-RYUDHWBXSA-N 419.434 1.545 0 50 HDAA CC(C)c1nn(C)c(Cl)c1C(=O)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1 240471625 GDHXKBRXJQQEBA-UHFFFAOYSA-N 400.892 1.067 0 50 HDAA C[C@H](C(=O)Nc1cccc(-c2n[nH]c(C3CC3)n2)c1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 462004566 BABFTMKRBDVJIS-VVUXQZRGSA-N 421.457 1.839 0 50 HDAA Cc1cnccc1N1CCCN(S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)CC1 952967660 LPQFVYBZNACFHQ-UHFFFAOYSA-N 409.533 1.695 0 50 HDAA CNc1cccc(C(=O)NCc2ccccc2S(=O)(=O)N2CCN(C)CC2)c1 1263421940 KDKZJXMYYPIIIB-UHFFFAOYSA-N 402.520 1.594 0 50 HDAA CNC(=O)c1ccc(S(=O)(=O)NCc2c[nH]nc2-c2ccc(OC)cc2)cc1 1506399166 ZZSFFNYGCYNZOG-UHFFFAOYSA-N 400.460 1.923 0 50 HDAA CSCC(=O)N1C[C@H]2CN(C(=O)CCn3nc(C)cc3C)C[C@]2(CN(C)C)C1 1772711673 CKHKMIXHXVPGTC-YLJYHZDGSA-N 407.584 1.102 0 50 HDAA CCN1CCC[C@@H]1CN1CCC2(CC1)CC(=O)N(Cc1cnn(C)c1C)CCO2 1857683250 SVMKTKAPZWEKIN-HXUWFJFHSA-N 403.571 1.796 0 50 HDAA COCCC(=O)N[C@@H]1[C@H]2CC[C@@H]1CN(C(=O)Cn1c(C)cc(=O)c3ccccc31)C2 1857699824 ZLIZQPYRIUWDSP-DTVZVWBHSA-N 411.502 1.700 0 50 HDAA CS(C)(=O)=Nc1cccc(NC(=O)C(=O)NCCc2cccc(C(N)=O)c2)c1 1875322767 GYJZYTPIHPPYJC-UHFFFAOYSA-N 402.476 1.442 0 50 HDAA Cc1nc(C)c(CC(=O)N2CCC[C@@]23CCCN([C@H]2CC[C@H](O)CC2)C3=O)c(O)n1 2100545494 SFRRZDGPQNEALK-DRSNIGMVSA-N 416.522 1.629 0 50 HDAA COC(=O)[C@@H](C)Sc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1cccc(C)c1 637156 OSHCFTBAOPNJIZ-GFCCVEGCSA-N 402.476 1.444 0 50 HDAA CN(c1ccccc1C(=O)Nc1ccccc1C(=O)N1CCOCC1)S(C)(=O)=O 667417 NAKYZKIXVNUNTH-UHFFFAOYSA-N 417.487 1.807 0 50 HDAA COC(=O)C1CCN(C[C@H](O)COc2cccc(CN(C)Cc3ccn[nH]3)c2)CC1 12306706 FPDCMBCQPANMTE-FQEVSTJZSA-N 416.522 1.666 0 50 HDAA COc1ccccc1/C=C/CN1CCNC(=O)[C@H]1CC(=O)NCCOc1cccnc1 15071355 CHISBKBERBTLSD-ZEZYUPADSA-N 424.501 1.489 0 50 HDAA CCc1ccc(CN(C)C(=O)[C@H]2CCC(=O)N(CCCN3CCOCC3)C2)nc1 15072474 HQLDOLZJBJTBMV-IBGZPJMESA-N 402.539 1.563 0 50 HDAA C[C@H]1CN(Cc2nnnn2CC(=O)N(C)Cc2nc3c(s2)CCCC3)C[C@@H](C)O1 15078886 CKMQTSKIIGQEMH-OKILXGFUSA-N 419.555 1.276 0 50 HDAA O=C1NCCN(Cc2ccc(F)cc2Cl)[C@@H]1CC(=O)N1CCc2[nH]ncc2C1 19745922 HJBZFXYMTYUXOC-QGZVFWFLSA-N 405.861 1.478 0 50 HDAA CCOC(=O)c1nn(CCN(C)C)c2c1CN(C1CCN(C(=O)OCC)CC1)CC2 20201387 JUVNSDUURDLXJT-UHFFFAOYSA-N 421.542 1.600 0 50 HDAA CCOC(=O)N1CCC(NC(=O)C[C@H]2C(=O)NCCN2Cc2ccccc2F)CC1 55054705 RWAFMUSCKGNTJR-SFHVURJKSA-N 420.485 1.253 0 50 HDAA Cc1cccc(-c2noc(CNC(=O)C3CCN(S(=O)(=O)N(C)C)CC3)n2)c1 67621213 DEASXSZSTKKGBM-UHFFFAOYSA-N 407.496 1.180 0 50 HDAA Cc1nnsc1CN(C)C(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(Cc4cccnc4)C(=O)[C@@H]13)O2 77406894 SWZPZXDZUXJMLI-MCNSXXNHSA-N 411.487 1.182 0 50 HDAA CCc1nc(CNC(=O)c2cc(OC)ccc2OC2CCN(C(C)=O)CC2)no1 95508863 FNQIZKFVHZWUEV-UHFFFAOYSA-N 402.451 1.960 0 50 HDAA O=C(NC1(C(F)(F)F)CC1)[C@@H]1CN(S(=O)(=O)c2ccccc2Cl)CCO1 253426714 IIDFPGAWKSGODQ-NSHDSACASA-N 412.817 1.941 0 50 HDAA COc1ccc(CC(=O)N2CCC[C@H](n3ncc(N4CCOCC4)cc3=O)C2)cc1 328603994 IBNUHLWVAXTSMR-SFHVURJKSA-N 412.490 1.495 0 50 HDAA COc1nn(C)cc1NS(=O)(=O)c1ccc(NS(=O)(=O)C(C)C)c(F)c1 473467837 BHMXIFLDDNNBHH-UHFFFAOYSA-N 406.461 1.519 0 50 HDAA COc1ccc(C(=O)N2CCOCC2)cc1NC(=O)c1cnn(C)c1-n1cccc1 952962634 GBMNUHQHOAKLBI-UHFFFAOYSA-N 409.446 1.944 0 50 HDAA CCc1cc(NC2CCN(C3CCS(=O)(=O)CC3)CC2)nc(N2CCOCC2)n1 1704298801 NVXWSQHGJNVKMR-UHFFFAOYSA-N 423.583 1.329 0 50 HDAA Cc1noc(C)c1C(=O)N[C@@]1(C)CC2(CCN(Cc3cc[nH]n3)CC2)OC[C@@H]1O 1704308374 PHMLGAOBEROWKO-LPHOPBHVSA-N 403.483 1.319 0 50 HDAA CN(C)C[C@@]12CN(C(=O)Cc3cccnc3)C[C@H]1CN(C1CSCCSC1)C2 1772813027 SZMXQRAIIDLOGV-WIYYLYMNSA-N 420.648 1.795 0 50 HDAA Cc1nc(C)c(C(=O)N2CC(=O)N3[C@H](c4ccccc4)[C@H](C(=O)N(C)C)C[C@@H]3C2)o1 1857683375 WIHZEPHEOINMQD-ZHALLVOQSA-N 410.474 1.794 0 50 HDAA COCCN1CCC[C@@]2(CCCN(C(=O)c3cc(C(C)C)[nH]c(=N)n3)[C@H]2C)C1=O 1940198023 IEGRIMPNZMIYGQ-BTYIYWSLSA-N 403.527 1.892 0 50 HDAA COCCCNC(=O)[C@H]1CC[C@@H](O)[C@H](NC(=O)c2cccc(-c3cn[nH]c3)c2)C1 2100482782 YQQGHAAKGAVXTM-QXAKKESOSA-N 400.479 1.489 0 50 HDAA O=C(NC[C@@H](O)c1ccccn1)c1cccc(C(=O)NC[C@@H](O)c2ccccn2)c1 2325723710 KUVXAYDMBDFNHK-WOJBJXKFSA-N 406.442 1.403 0 50 HDAA CN(CCN1CCCC1=O)C(=O)C(=O)N1CCc2c(Br)cccc2C1 2325818741 VQPHZFBDBVEZMO-UHFFFAOYSA-N 408.296 1.415 0 50 HDAA Cn1cnc(C(=O)N2CCC([S@](C)(=O)=NC(=O)C[C@@H]3CC[C@@H](C4CC4)O3)CC2)c1 2332238911 PITGEPITVDVVHE-OTQAAAIFSA-N 422.551 1.997 0 50 HDAA CCCCCc1nc([C@H]2OCC(=O)N[C@@H]2c2ccc(OC)c(OC)c2)n(CCO)n1 2356158945 FXPGKILRKLWUBM-UXHICEINSA-N 418.494 1.949 0 50 HDAA Cc1ccc(N2CCC[C@@]3(CCCN3C(=O)CN3C(=O)NC(C)(C)C3=O)C2=O)cc1 2356164971 NTYJWBKQGALDLM-JOCHJYFZSA-N 412.490 1.813 0 50 HDAA NS(=O)(=O)c1cc2c(cc1C(F)(F)F)N[C@H](Cc1ccccc1)NS2(=O)=O 897222 HDWIHXWEUNVBIY-AWEZNQCLSA-N 421.422 1.625 0 50 HDAA biogenic,fda Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)NC[C@H](Cc1ccccc1F)c1ccccc1 4770950 QBACRFPDTDVCRK-INIZCTEOSA-N 417.462 1.816 0 50 HDAA O=C(C[C@@H]1C(=O)NCCN1Cc1ccccc1)NCc1ccc(-n2cccn2)cc1 12208907 CBCWPNBKAKUBGB-OAQYLSRUSA-N 403.486 1.879 0 50 HDAA COc1ccc(C[C@@H]2NC(=O)[C@H]3CN(C(=O)c4ccccc4OC)CCN3C2=O)cc1 14748195 AJDIKZFOEWQBMB-RBUKOAKNSA-N 423.469 1.098 0 50 HDAA Cc1cnc(SCCN2CCOCC2)nc1[C@H]1CCCN(C(=O)[C@H]2CCOC2)C1 14982753 VXPHWKJGZNHGBG-ROUUACIJSA-N 420.579 1.952 0 50 HDAA O[C@H](COc1cccc(CNCCc2cn3cccnc3n2)c1)CN1CCOCC1 20454648 JOLBTSFZCZURTF-FQEVSTJZSA-N 411.506 1.134 0 50 HDAA CCc1nc(N2CCC(N3CCC[C@@H](C(=O)N4CCOCC4)C3)CC2)ncc1C 71750678 OPDDPMAWSYMCPS-GOSISDBHSA-N 401.555 1.887 0 50 HDAA COC(=O)c1cnc2c(c1)n(Cc1noc([C@@H]3CCCO3)n1)c(=O)n2CC(C)C 95512776 JCHHQOPMAPZCTI-AWEZNQCLSA-N 401.423 1.923 0 50 HDAA CS(=O)(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](c3ncno3)C2)c(F)c1 170606656 BAYFCRJAUBPKON-JTQLQIEISA-N 404.445 1.149 0 50 HDAA C[C@](O)(CNC(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1)C1CCCCC1 170611517 JVPXNAASAHCLDR-FQEVSTJZSA-N 409.552 1.930 0 50 HDAA C[C@H](C(=O)Nc1ccc(CN2CCC[C@@H](C(N)=O)C2)cc1)n1nnnc1C(C)(C)C 222182088 PHBJJIZLVQYXDD-GDBMZVCRSA-N 413.526 1.868 0 50 HDAA COc1ccc(C(=O)NC[C@@]23C=C[C@@H](O2)[C@@H]2C(=O)N(Cc4ccccc4)C(=O)[C@H]23)cc1 254010372 FIWVFKGPAZUXEL-KCOOYEKVSA-N 418.449 1.934 0 50 HDAA Cc1cc(C(=O)NC[C@H]2CN(CC3CCN(CC4CC4)CC3)C(=O)CO2)cc(C)n1 299775554 DTKUJXPHTUKTQE-NRFANRHFSA-N 414.550 1.778 0 50 HDAA CN(C)c1cc(NC[C@@H]2CN(CC3CCN(CC4CC4)CC3)C(=O)CO2)ncn1 299790928 CFEXDJWFCVCREZ-GOSISDBHSA-N 402.543 1.304 0 50 HDAA CCCO[C@@H]1CC[C@H](C(=O)NCCc2cccc(F)c2)C[C@H]1NS(C)(=O)=O 1857692899 ZAJMKDWUCATMFT-CGTJXYLNSA-N 400.516 1.998 0 50 HDAA CC1(C)CC(=O)NC[C@@H]1C(=O)N1CCC[C@H]2CN(C(=O)c3ccc4nn[nH]c4c3)C[C@H]21 1875358928 NIYYFECOLBMJOI-HDMKZQKVSA-N 424.505 1.183 0 50 HDAA NC(=O)c1csc(C(=O)N2CC[C@]3(CCN(C(=O)c4cccc5nn[nH]c45)C3)C2)c1 1875360205 BEAPFZJSYYSQRK-FQEVSTJZSA-N 424.486 1.497 0 50 HDAA C[C@@H](NC(=O)CN(C)C1=NS(=O)(=O)c2ccccc21)[C@@H](O)c1c(F)cccc1F 2325747304 FERIAMZXATWWNM-ADLMAVQZSA-N 423.441 1.584 0 50 HDAA C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CCC(=O)O)C(=O)OCc1ccccc1 4899697 AMFJVLAANHASBK-DZGCQCFKSA-N 408.451 1.993 0 50 HDAA COc1ccc(CCN(C)[C@H]2CCCN(C(=O)CCn3cncn3)C2)cc1OC 12385866 QHOJSDBOFSYERT-SFHVURJKSA-N 401.511 1.851 0 50 HDAA O=C1CN(C(=O)C[C@@H]2C(=O)NCCN2Cc2cccc(Oc3ccccc3)c2)CCN1 12597367 YSOJEGGQJBIUSU-HXUWFJFHSA-N 422.485 1.128 0 50 HDAA CSc1cccc(CN[C@H]2C[C@H]3C(=O)N[C@H](Cc4ccc(O)cc4)C(=O)N3C2)c1 14531180 JVUHPBUXSLRNMQ-DBVUQKKJSA-N 411.527 1.914 0 50 HDAA CCNC(=O)c1nn(CC2CC2)c2c1CN(C(=O)c1c3c(nn1C)CCCC3)CC2 14743498 FYMBACUOXSKFII-UHFFFAOYSA-N 410.522 1.854 0 50 HDAA CCOc1ccc(N2C(=O)C[C@@H](N3CCN(CCc4ccncc4)CC3)C2=O)cc1 19890184 VTWITHAEHKCHKC-OAQYLSRUSA-N 408.502 1.973 0 50 HDAA Cc1cc(C)nc(CCNCc2c(C(=O)N3CCOCC3)nc3c(C)cccn23)n1 20138129 PEHHXGUIFOSXSU-UHFFFAOYSA-N 408.506 1.854 0 50 HDAA COc1cc(CN2C[C@H](O)[C@@H](N3CCN(c4ccccn4)CC3)C2)cc2c1OCO2 20540085 AQIMEKLYIOLGHM-ROUUACIJSA-N 412.490 1.186 0 50 HDAA COc1cccc(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N(C)Cc3ncc[nH]3)[C@@H]4C2=O)c1 77505707 IWRYJGMKNBNXMC-UYZIEWPDSA-N 408.458 1.359 0 50 HDAA Cn1cnc(S(=O)(=O)N2CCC[C@H](CNC(=O)c3cc4ccccc4[nH]3)C2)c1 95530493 XJSSFDSCJABMRN-CQSZACIVSA-N 401.492 1.732 0 50 HDAA Cc1c(CN2CCC3(CC2)CCN(C(=O)Cc2c[nH]cn2)C[C@H]3CO)cnn1C 97495074 FHYHITNZOHQTQC-SFHVURJKSA-N 400.527 1.117 0 50 HDAA C[C@@H](OC(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1)c1cnc(C2OCCO2)s1 252509942 YYWCMKAQNSBTGP-RISCZKNCSA-N 416.459 1.913 0 50 HDAA C[C@@H](CNC(=O)N1CCN([C@H](C)C(=O)N2CCOCC2)CC1)c1ccc(F)cc1F 466420020 VFABGTQAPURYCU-JKSUJKDBSA-N 424.492 1.643 0 50 HDAA COC(=O)Cn1cc(CN2CC[C@@](c3nc(C4CC4)no3)(C(F)(F)F)C2)nn1 952895042 XSEAKSLCWVLLBA-OAHLLOKOSA-N 400.361 1.418 0 50 HDAA COc1ccc2cc1OCC(=O)NCc1cc(C(=O)NCCO)cc(c1)-n1ccnc1-2 1857724005 HGUZAVABAGILFY-UHFFFAOYSA-N 422.441 1.279 0 50 HDAA C[C@H](CN1CCCCC1)N(C)C(=O)COCC(=O)N(C)[C@H](C)CN1CCCCC1 2325723880 FLHSNSVUBZYOTM-WOJBJXKFSA-N 410.603 1.669 0 50 HDAA Cn1c(=O)n(C)c2cc(S(=O)(=O)N(CC(=O)O)C3Cc4ccccc4C3)ccc21 2325743288 SOLRAZQGBZQLOD-UHFFFAOYSA-N 415.471 1.120 0 50 HDAA Cc1nnc(N2C[C@H](O)[C@]3(C2)[C@H](c2ccccc2)[C@H]3CN2CCC(O)CC2)s1 2356169111 KYVTWRAZCGPSRE-RCLSDMTESA-N 400.548 1.884 0 50 HDAA COc1ccc(S(=O)(=O)N(C)CC(=O)N2CCN(c3ccccc3)CC2)cc1C 2868833 MKGKKMVMVMOSEH-UHFFFAOYSA-N 417.531 1.973 0 50 HDAA CCOC(=O)C1CCN(C(=O)[C@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)CC1 6697672 XQIYQRGIHJBYKZ-ZDUSSCGKSA-N 400.472 1.782 0 50 HDAA CCOC(=O)c1c(NC(=O)CN(C)Cc2cn(C)nc2C)sc(C(N)=O)c1C 17087736 LBPWYGPULWUXTM-UHFFFAOYSA-N 407.496 1.445 0 50 HDAA Cc1cccnc1CN1CCN(C(=O)C[C@@H]2C(=O)NCCN2CCC(C)C)CC1 19229236 QXFTVNWZGONEIE-HXUWFJFHSA-N 401.555 1.271 0 50 HDAA CCOC(=O)c1cc(C)sc1NC(=O)CN1CCN(C(=O)[C@@H]2CCCO2)CC1 35802719 UMIYDHMQSOYYBZ-HNNXBMFYSA-N 409.508 1.495 0 50 HDAA COCCN(C)CCN1CC2(CCN(C(=O)c3cnn4c3CCCC4)CC2)OC1=O 77377753 ORDIDIILEQPNQG-UHFFFAOYSA-N 419.526 1.225 0 50 HDAA C[C@@H]1CCc2cc(F)cc3c(O)c(C(=O)NCCCN4CCOCC4)c(=O)n1c23 100663170 OVCYGCDRHBKEEP-CYBMUJFWSA-N 403.454 1.806 0 50 HDAA NC(=O)[C@@H]1Sc2[nH]c(=O)sc2[C@@H](c2ccc(C(F)(F)F)cc2)[C@@H]1C(N)=O 170612705 MMUPTPZBDNUGPH-XHNCKOQMSA-N 403.407 1.648 0 50 HDAA CC[C@@H]1CCCCN1C(=O)[C@H](C)Sc1nnc([C@H]2CCS(=O)(=O)C2)n1C 248038496 NKLSRZBWRMCQQX-MELADBBJSA-N 400.570 1.989 0 50 HDAA CC[C@H](C)[C@H](CO)NC(=O)C[C@H]1N=C(O)N(CCc2ccc(OC)c(OC)c2)[C@H]1O 252536777 JOFHZOMLDCBFMW-YEOLMYPVSA-N 423.510 1.076 0 50 HDAA O=C(CN1CC[C@]2(CCCN(Cc3ccc(F)c(F)c3)C2=O)C1)N1CCOCC1 426656976 PYSHAEZWNFEYPC-OAQYLSRUSA-N 407.461 1.638 0 50 HDAA CCSCC(=O)N1CCC2(CC1)C[C@](C)(NC(=O)c1ccc(O)nc1)[C@@H](O)CO2 1704313604 RNZXHNQTQLNWEZ-KXBFYZLASA-N 423.535 1.171 0 50 HDAA COc1cc2c(cc1CN1C[C@@H]3CN(Cc4nccn4C)C[C@@]3(CO)C1)OCO2 1772704490 IVIDDFLRCZQBQU-IIBYNOLFSA-N 400.479 1.084 0 50 HDAA CC(C)CCN1C[C@@H]2CN(S(=O)(=O)C3CCOCC3)C[C@@]2(CCC(=O)O)C1 1772806947 MHVBKQXFBCVFAP-VQIMIIECSA-N 402.557 1.640 0 50 HDAA Cc1nc(N(C)C)sc1C(=O)N[C@H]1CCN(C(=O)Cc2nncs2)C[C@@H]1C 1875361791 BQSSBYKJUMTJIF-JQWIXIFHSA-N 408.553 1.579 0 50 HDAA CNC(=O)c1cnc(NC(=O)[C@@H](C)NC(=O)c2cc(OC)c(OC)c(OC)c2)s1 2325854672 PEPYLBWPTLCGPZ-SECBINFHSA-N 422.463 1.286 0 50 HDAA NS(=O)(=O)c1ccc(CNC(=O)c2ccc(-c3cnc4cnccn34)cc2)cc1 2356167950 JXEMWFKAOSMUIB-UHFFFAOYSA-N 407.455 1.974 0 50 HDAA CS(=O)(=O)N(CC(=O)N1CCN(c2ccccc2F)CC1)Cc1ccccc1 627799 VJEKCMSKSSTHMM-UHFFFAOYSA-N 405.495 1.936 0 50 HDAA COc1cc(CNCc2csc(C)n2)ccc1OC[C@@H](O)CN1CCOCC1 12764138 YGAWSDCNFGXRTB-SFHVURJKSA-N 407.536 1.822 0 50 HDAA CC(C)(C)CN1CCNC(=O)[C@@H]1CC(=O)N1CCN(CCOc2ccccc2)CC1 15073148 BXNYABUDQYZOGP-FQEVSTJZSA-N 416.566 1.446 0 50 HDAA CCN1CCN(C[C@H](O)COc2cccc(CNCC3(O)CCCCC3)c2)CC1 23358464 BFRHSLCIAWABNE-NRFANRHFSA-N 405.583 1.849 0 50 HDAA COc1cccc(OC[C@@H](O)CNC(=O)CN2Cc3ccccc3O[C@@H](C)C2)c1 42453724 BQWFMFDMODNVQW-WMZOPIPTSA-N 400.475 1.834 0 50 HDAA CCNc1cc(N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)nc(C)n1 65364231 UTCGDZQRWFYOKX-UHFFFAOYSA-N 419.507 1.499 0 50 HDAA CCN(Cc1noc(C)n1)C(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(Cc4cccnc4)C(=O)[C@@H]13)O2 77323072 ZRUVZHMWPKHMTB-VZRKHXGSSA-N 409.446 1.104 0 50 HDAA CNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CC[C@@H]1NC(=O)N(c2ccccc2)C1=O 253412741 RWRFPYOBHXNKLK-OALUTQOASA-N 420.469 1.591 0 50 HDAA biogenic CC(C)Cc1nc(CN2CCC[C@H](n3ncc(N4CCC(O)CC4)cc3=O)C2)no1 328602198 ATCFVURNZXXSLI-INIZCTEOSA-N 416.526 1.623 0 50 HDAA O=C(Nc1ccnn1[C@@H]1CCS(=O)(=O)C1)N1CCCN(c2ncccc2F)CC1 784462072 MYGHSORTYVARFB-CQSZACIVSA-N 422.486 1.521 0 50 HDAA Cc1ccc(S(=O)(=O)NCCCNC(=O)C[C@H]2NC(=O)c3ccccc32)cc1 827810807 AWMSPUUXMUBWBT-GOSISDBHSA-N 401.488 1.654 0 50 HDAA O=C(c1ccccc1-n1cccn1)N1CCCN(S(=O)(=O)N2CCCCC2)CC1 952968453 CDIQAQHUEVDUTR-UHFFFAOYSA-N 417.535 1.751 0 50 HDAA CN1CCC(n2nccc2NC(=O)C[C@H]2C(=O)NCCN2Cc2ccccc2)CC1 1506407432 IUXQASHUPULQKH-IBGZPJMESA-N 410.522 1.479 0 50 HDAA CCC(=O)N[C@]1(C)CCOC2(CCN(c3cc(N)nc(N4CCCC4)n3)CC2)[C@H]1O 1772707041 XRACSKGTWJBGLQ-AZUAARDMSA-N 418.542 1.064 0 50 HDAA CCc1nn(C)c(Cl)c1CN1CC[C@H]2[C@@H]1CC(=O)N2CCc1nncn1CC 1800409918 LXTCNYKEHXGJMU-HOTGVXAUSA-N 405.934 1.665 0 50 HDAA O=C(N[C@@H]1CS(=O)(=O)[C@H]2CN(C3CSCCSC3)C[C@@H]12)c1ccccc1 1857688035 QFOGCXMHQRFLLB-BBWFWOEESA-N 412.602 1.362 0 50 HDAA CC[C@H](C(=O)N1CCc2[nH]c(=N)[nH]c(=N)c2C1)n1nnc(-c2ccc(Cl)cc2)n1 1875351707 GCLOCPLAUYYULC-CQSZACIVSA-N 413.873 1.145 0 50 HDAA O=C(NC[C@H]1CC2(CCNCC2)C(=O)O1)c1c[nH]c2ncc(Br)cc12 1875358844 LOMJNQFYMQDGCY-LLVKDONJSA-N 407.268 1.741 0 50 HDAA O=C(c1cccnc1O)N1CCC2(CCc3c(O)nc(N4CCOCC4)nc32)CC1 1940194780 PEUVYFZQNFRFCV-UHFFFAOYSA-N 411.462 1.240 0 50 HDAA COc1cc2c(cc1F)CN(C(=O)CCN1C(=O)c3ccccc3S1(=O)=O)CC2 2325726344 BSLUEUPIUCLNGW-UHFFFAOYSA-N 418.446 1.954 0 50 HDAA CCOC(=O)N1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)CC1 4704866 YIAAPNXJEIICQU-UHFFFAOYSA-N 423.535 1.696 0 50 HDAA COC(=O)CNC(=O)c1ccc(OC2CCN(S(C)(=O)=O)CC2)c(Cl)c1 11933230 QLLCDBIESLRJOS-UHFFFAOYSA-N 404.872 1.046 0 50 HDAA COCCNC(=O)c1cn([C@H]2CCCN(C(=O)Cc3ccc(Cl)cc3)C2)nn1 15068144 XNOYWJWQWUSIFA-INIZCTEOSA-N 405.886 1.714 0 50 HDAA Cc1c(NC(=O)[C@H](C)N2C(=O)[C@H]3CCCC[C@@H]3C2=O)c(=O)n(-c2ccccc2)n1C 18137022 SLKBUXDMUWFXNV-XIRDDKMYSA-N 410.474 1.987 0 50 HDAA Cc1ccccc1NS(=O)(=O)c1ccc(OCC(=O)N2CCN(C)CC2)cc1 20419464 AQOXIEGLHQZNKY-UHFFFAOYSA-N 403.504 1.949 0 50 HDAA O=C1C[C@@H](N2CCN(S(=O)(=O)c3ccccc3)CC2)C(=O)N1c1ccc(F)cc1 100056622 PJQGCKJKHVHOTO-GOSISDBHSA-N 417.462 1.464 0 50 HDAA CC(C)[C@H](CNC(=O)OC(C)(C)C)C(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 170618073 CSVHQSGDGWNCMN-HOTGVXAUSA-N 417.572 1.115 0 50 HDAA COc1ccc(NC(=O)[C@@H](C)n2nc(C(F)F)c(S(C)(=O)=O)n2)cc1OC 225825592 VKVITSQSNZKAKW-MRVPVSSYSA-N 404.395 1.836 0 50 HDAA CCOC(=O)[C@]1(COC)CCCN(C(=O)c2ccc(=O)n(-c3ccc(F)cc3)n2)C1 241383284 MTYBCABBHNQPKV-OAQYLSRUSA-N 417.437 1.804 0 50 HDAA O=C(O)Cn1cc(/C=C/c2nc3ccc(Br)cn3c(=O)c2Cl)nn1 486033071 XEEGURSMKMGUHS-NSCUHMNNSA-N 410.615 1.957 0 50 HDAA NC(=O)c1ccc(S(=O)(=O)NC(=O)c2ccc(OCC(F)(F)F)cn2)s1 774082646 AIRHOGRHRWRCHZ-UHFFFAOYSA-N 409.367 1.302 0 50 HDAA Cc1nonc1CC(=O)N1CCC[C@H](CNC(=O)c2ccc3c(c2)OCCO3)C1 952974403 INZBVEHQRFXMJN-CQSZACIVSA-N 400.435 1.360 0 50 HDAA CN1CC(=O)N2C[C@H](NC(=O)c3ccc(CSc4ccccn4)cc3)C[C@H]2C1=O 952978312 YTGHWKCGZVNCDA-SJORKVTESA-N 410.499 1.545 0 50 HDAA Cn1c(=O)oc2cc(S(=O)(=O)N3CCC[C@H](OCc4ccccn4)C3)ccc21 952986807 ILVKJLHYXNVXPR-HNNXBMFYSA-N 403.460 1.896 0 50 HDAA CN(CC(=O)N1CCC(c2nc3ccc(F)cc3[nH]2)CC1)[C@@H]1CCS(=O)(=O)C1 1506418918 UYGYRGVRIZGNOX-OAHLLOKOSA-N 408.499 1.527 0 50 HDAA CN(C)C[C@]12CN(C(=O)Cc3cccs3)C[C@@H]1CN(C(=O)c1cncc(F)c1)C2 1772700503 BYETUAWVTYDJGN-IIBYNOLFSA-N 416.522 1.987 0 50 HDAA N[C@H]1CCC[C@@H](C(=O)N2CCC3(CCc4c(O)nc(N5CCOCC5)nc43)CC2)C1 1857717549 YCHPOWGTNOJOOX-CVEARBPZSA-N 415.538 1.343 0 50 HDAA N=c1[nH]nc(CNC(=O)[C@H]2CC(=O)N(c3nnc(Cc4ccccc4)s3)C2)s1 1857723423 FNDUOTOJNIRDBS-NSHDSACASA-N 415.504 1.062 0 50 HDAA O=C(NC[C@H]1CCCCN1)c1nscc1S(=O)(=O)N1CCc2ccccc2C1 1875305282 OOQSSMWHCYSGIA-MRXNPFEDSA-N 420.560 1.762 0 50 HDAA CC(C)C[C@@]1(CO)CCCN1C(=O)[C@@H]1CC[C@H](Cn2cnc3c(N)ncnc32)O1 1875360518 CNXKEUTUENUJJG-QEEYODRMSA-N 402.499 1.356 0 50 HDAA CNC(=O)C1(C(=O)NC[C@@H](NC(=O)c2ccc(Br)o2)C2CC2)CCC1 1875360701 GPKPLGWUAOGGBD-LLVKDONJSA-N 412.284 1.583 0 50 HDAA Cc1nc(C)c(CC(=O)N2CCC[C@]23CCCN([C@H]2CC[C@H](O)CC2)C3=O)c(O)n1 2100545495 SFRRZDGPQNEALK-HOIFWPIMSA-N 416.522 1.629 0 50 HDAA CCOC(=O)[C@H]1Cc2cc(S(=O)(=O)Nc3cccc4c3CCNC4=O)ccc2O1 2325822454 YIPHPIBLCCUVSL-GOSISDBHSA-N 416.455 1.640 0 50 HDAA O=C(c1ccccc1NS(=O)(=O)c1ccc2c(c1)OCCO2)N1CCOCC1 811791 FCPPNTNWVOSLCX-UHFFFAOYSA-N 404.444 1.731 0 50 HDAA Cc1nn(C)c(C)c1CN(C(=O)C[C@H]1C(=O)NCCN1Cc1cccs1)C1CC1 14966315 KYJVAYNYNNTYOC-IBGZPJMESA-N 415.563 1.980 0 50 HDAA CC1CCN(Cc2nnnn2CCCC(=O)NCCc2cn3ccsc3n2)CC1 19146079 PQYBEKUGHNCSFM-UHFFFAOYSA-N 416.555 1.753 0 50 HDAA COc1cccc(CN2CCc3nnc(CNC(=O)c4ccccn4)n3CC2)c1OC 20999419 QPQZLFCNOPRTBQ-UHFFFAOYSA-N 422.489 1.679 0 50 HDAA COCC(=O)NC[C@@H](C)Oc1ccc(CN2CCN(Cc3cccnc3)CC2)cc1 23363198 VQMCQDVBSKIZIO-LJQANCHMSA-N 412.534 1.929 0 50 HDAA CC(C)N(C)C(=O)CN1CCC(N2CCC[C@@H](C(=O)NCc3ccccn3)C2)CC1 82092821 AHXDAGQLMQBUAY-LJQANCHMSA-N 415.582 1.741 0 50 HDAA Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C(=O)O)CC2)cc1 239173943 OZAOTQSMMFBQNS-CWLKWCNXSA-N 404.488 1.351 0 50 HDAA O=C(Nc1nccs1)[C@@H]1[C@H]2C=C[C@@]3(CN(Cc4ccc5c(c4)OCO5)C(=O)[C@H]13)O2 245239847 FSAQPVVOTUFKIP-NEVJAFOQSA-N 411.439 1.793 0 50 HDAA O=C(Cc1ccc2c(c1)OCO2)N[C@H]1C2CN3CCN(C2)CC1(c1ccccc1)C3 670437229 WSALSOSEVPPJSF-IMBKEICKSA-N 405.498 1.642 0 50 HDAA CN1CCCN(C(=O)Cn2nnnc2C2(NCc3ccccc3)CCCCC2)CC1 1506426396 HVJWARQJVRYDFX-UHFFFAOYSA-N 411.554 1.786 0 50 HDAA Cc1ccc(OCc2ccc(C(=O)N(C)C[C@@H](O)CN3CCN(C)CC3)o2)cc1 1875254831 HYCOPPJFHDDDGK-GOSISDBHSA-N 401.507 1.847 0 50 HDAA COC(=O)[C@@]1(C)CCCN(c2ncnc3c2ncn3CC2(CO)CCOCC2)C1 1875268993 JMBQVXUJQAVRJI-IBGZPJMESA-N 403.483 1.395 0 50 HDAA COc1ccc([C@@H]2[C@@H](C(=O)NCCc3noc(C)n3)OCC(=O)N2C2CC2)cc1 2100537595 REZZFJFLXJWYGC-MOPGFXCFSA-N 400.435 1.176 0 50 HDAA O=C1COc2ncc(C(=O)N[C@@H]3[C@@H]4CC[C@H]3N(C(=O)[C@@H]3C[C@@H]5CC[C@H]3C5)C4)cc2N1 2325872686 JKTUVYOPUDRLER-ZKFKRHBWSA-N 410.474 1.568 0 50 HDAA COC1(c2ccccc2)CCN(S(=O)(=O)CC[C@H]2CCS(=O)(=O)C2)CC1 2356155432 GRZGICBYBJITNL-MRXNPFEDSA-N 401.550 1.779 0 50 HDAA COc1ccc(N2C(=O)C[C@H](N(Cc3ccco3)C(=O)CCC(=O)O)C2=O)cc1 715176 IQIZAESOTIIRJD-INIZCTEOSA-N 400.387 1.814 0 50 HDAA Cn1c(Cc2nnn(Cc3ccc(Cl)cc3Cl)n2)nnc1SCC(N)=O 4511124 PLGQACUJUUJTHQ-UHFFFAOYSA-N 413.294 1.325 0 50 HDAA O=C1c2ccccc2S(=O)(=O)N1Cc1nnnn1-c1ccc(Br)cc1 9435821 BCDMEPAQBGDFOV-UHFFFAOYSA-N 420.248 1.770 0 50 HDAA COCCS(=O)(=O)c1ncc(CN2CCCC[C@@H]2CO)n1Cc1ccccc1 12299637 OFCGWBMGHBLZBF-GOSISDBHSA-N 407.536 1.698 0 50 HDAA O=S(=O)(c1ccc(NC(=S)NCCN2CCCCC2)cc1)N1CCOCC1 17089353 KKNNXCRQVFZCEO-UHFFFAOYSA-N 412.581 1.480 0 50 HDAA COCCCn1c(CN(C)C[C@H]2COc3ccccc3O2)cnc1S(C)(=O)=O 19229280 JHJJQFBQHMPNEG-INIZCTEOSA-N 409.508 1.595 0 50 HDAA COc1cc(CN(C)CCCN2CCOCC2)ccc1OC[C@@H](O)CN(C)C(C)C 20209842 ZIISVESHWQZPCN-NRFANRHFSA-N 423.598 1.929 0 50 HDAA O=C(C1CCN(c2ccc3nncn3n2)CC1)N1CCN(c2ccc(F)cc2)CC1 20735565 GQHQSBNSNWKGRC-UHFFFAOYSA-N 409.469 1.829 0 50 HDAA CN1CCN(S(=O)(=O)Cc2ccc(C(=O)NCCc3ccccc3)cc2)CC1 67612521 NLAZUCDYMZSQKG-UHFFFAOYSA-N 401.532 1.736 0 50 HDAA Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)n1 72139995 YIFKMMLIQJABRP-UHFFFAOYSA-N 417.535 1.274 0 50 HDAA CC(=O)Nc1nnc(S(=O)(=O)N2CCN(C/C=C/c3ccccc3)CC2)s1 72446944 ROWPUHKAIVNABF-VMPITWQZSA-N 407.521 1.516 0 50 HDAA COc1ccc(S(=O)(=O)N2CCN(c3ccnc(N4CCCC4)n3)CC2)cc1 91402381 XRINYCXYOVYCBR-UHFFFAOYSA-N 403.508 1.596 0 50 HDAA O=C(c1cnc2ccccn12)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CC1 95524063 WQBCCFBMBIRPEY-UHFFFAOYSA-N 404.474 1.984 0 50 HDAA COc1ccc(CCN2C(=O)N[C@@H](CCC(=O)N[C@@H]3NC(C)=CS3)C2=O)cc1 206240519 VDKWCDPNDAWHLG-YJBOKZPZSA-N 404.492 1.536 0 50 HDAA CS(=O)(=O)NC[C@H]1CCC[C@H]1NC(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1 253395365 XUQNFEOUOLJDDW-DGCLKSJQSA-N 423.944 1.159 0 50 HDAA CC(C)(C)OC(=O)N1CCC(CCN2CCCN3N=C(C(=O)O)C[C@H]3C2=O)CC1 261506991 DGECYVFSYYOSID-INIZCTEOSA-N 408.499 1.771 0 50 HDAA COC[C@@]1(C(=O)NCCC(=O)NCc2cccnc2)CCN(C(=O)OC(C)(C)C)C1 390832905 YTGKABDJFNESEZ-OAQYLSRUSA-N 420.510 1.478 0 50 HDAA CN(C)S(=O)(=O)c1ccc(NC(=O)N2CCNC(=O)C[C@@H]2c2ccccc2)nc1 432812763 JUWOPDHWOHANRJ-MRXNPFEDSA-N 417.491 1.427 0 50 HDAA Cc1sc(-c2cc(C(F)(F)F)n[nH]2)cc1S(=O)(=O)NC[C@@]1(O)CCNC1 1506397042 QEVYSMUCFNSLBW-CYBMUJFWSA-N 410.443 1.468 0 50 HDAA COC[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CCN(CCn1c(O)nc(C)cc1=O)C2 1506425609 DIIKTPUSEAASPQ-KNKQGSTJSA-N 420.554 1.097 0 50 HDAA Cn1nccc1C(=O)N[C@]1(C)CCOC2(CCN(CCCn3cccc3)CC2)[C@H]1O 1772706895 WTUZHCAYBMXWNV-LEWJYISDSA-N 415.538 1.416 0 50 HDAA CCc1nnc(N2C[C@@H](C(=O)N3CCN(C4CCCCC4)C(=O)C3)CC2=O)s1 1857667125 ONEQXOUVSIWBPF-ZDUSSCGKSA-N 405.524 1.457 0 50 HDAA O=C1CC2(CCN(C(=O)c3cnc(O)[nH]3)CC2)OCCN1CCCC(F)(F)F 1857694482 CKDIAZYQCNUXIP-UHFFFAOYSA-N 404.389 1.682 0 50 HDAA C[C@H]1CN(C(=O)C2CC(n3ccnc3)C2)CC[C@H]1CNC(=O)c1nc[nH]c2nccc1-2 1875353404 RPXKTYJRVIXZCS-JUVOFCAFSA-N 421.505 1.972 0 50 HDAA Cc1[nH]nc2ncnc(N3C[C@@]45CCCC[C@]4(CN(C(=O)c4cnnc(O)c4)C5)C3)c12 1875361513 UCHWUAFEYJVYBX-NHCUHLMSSA-N 420.477 1.680 0 50 HDAA CCN1C[C@@H](C(=O)N2CCCC[C@H](NC(=O)c3ccc(O)c(OC)c3)C2)CCC1=O 2325864628 ULBZGXZMJUBJLB-IRXDYDNUSA-N 417.506 1.770 0 50 HDAA CC[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)C[C@H]1CCN1C(=O)OC(C)(C)C)N(C)C 2325872852 PITVTBSAWYIIQQ-QZWWFDLISA-N 408.543 1.538 0 50 HDAA O=C(C[C@@H]1SC(=O)NC1=O)Nc1cccc(NC(=O)C[C@@H]2SC(=O)NC2=O)c1 1857821 VVJGPLGLUAQUKZ-UWVGGRQHSA-N 422.444 1.047 0 50 HDAA O=C(Cn1cc(C(=O)C(=O)N2CCOCC2)c2ccccc21)NCc1ccccc1 2875857 STXKDXKPSXHBDV-UHFFFAOYSA-N 405.454 1.999 0 50 HDAA CCOC(=O)c1n[nH]cc1CN(CC1CCN(CCOC)CC1)C[C@@H]1CCCO1 11816600 RZSXNAVWYPBADK-IBGZPJMESA-N 408.543 1.926 0 50 HDAA CCS(=O)(=O)c1ncc(CN(C)C[C@H]2CCN(CC(C)C)C2)n1CCOC 11817361 WYPDVZNIFFTDBZ-QGZVFWFLSA-N 400.589 1.733 0 50 HDAA COC(=O)[C@@H]1CCCN1C(=O)c1ccccc1OC1CCN(S(C)(=O)=O)CC1 12835633 DANYDHNIXCXOPO-INIZCTEOSA-N 410.492 1.267 0 50 HDAA Cn1cc(C(=O)O)c(C(=O)N2CCN(Cc3cccc(Br)c3)CC2)n1 20614847 UDXCMNKUSYSRCK-UHFFFAOYSA-N 407.268 1.839 0 50 HDAA Cn1c(=O)c(=O)n(C)c2cc(S(=O)(=O)N3CCC[C@@H]3c3cccc(F)c3)ccc21 21791617 AATOPILPTWPIKS-MRXNPFEDSA-N 417.462 1.902 0 50 HDAA Cc1nc(N2CCOCC2)cc(N2CCN(C(=O)c3ccc(F)cc3F)CC2)n1 67602117 UXFQSCXRZMWBAB-UHFFFAOYSA-N 403.433 1.862 0 50 HDAA Cc1cc(F)ccc1N1C[C@]23C=C[C@H](O2)[C@@H](C(=O)N(C)CCc2cn[nH]c2)[C@H]3C1=O 77439115 JWYLITILGZERTI-WEMPKCCASA-N 410.449 1.845 0 50 HDAA CC(C)SCC(=O)N1CCC2(CC1)CN(CCN1CC[C@@H](N(C)C)C1)C(=O)O2 77503562 OWUMFRWNFPUCEQ-QGZVFWFLSA-N 412.600 1.577 0 50 HDAA CN1C(=O)NC(=O)[C@@]2(Cc3cccc(F)c3N3CCN(c4ccccc4)C[C@H]32)C1=O 248057130 SOYWAMFBKXZBQF-JTSKRJEESA-N 408.433 1.772 0 50 HDAA CC[C@H](C)[C@H](CO)NC(=O)CC[C@@H]1N=C(O)N(Cc2ccc(OC)c(OC)c2)C1=O 252538970 NOSGGHBIEWKMEN-BPUTZDHNSA-N 421.494 1.632 0 50 HDAA C[C@@]1(NC(=O)C2CCC2)CCOC2(CCN(C(=O)c3cccc(O)n3)CC2)[C@H]1O 1704312558 FNSFPQNHFLVLTG-VQTJNVASSA-N 403.479 1.218 0 50 HDAA CN1CCN(C(=O)c2ccnc(N3CCC[C@@]4(CCc5cnc(N)nc54)C3)c2)CC1 1704312692 IQIBUNPNTOIJKA-JOCHJYFZSA-N 407.522 1.326 0 50 HDAA O=C(C1CCOCC1)N1C[C@@H]2CN(c3nccc(C(F)(F)F)n3)C[C@]2(CO)C1 1772813093 VRHCDAOQEGCKOS-DYVFJYSZSA-N 400.401 1.179 0 50 HDAA CS(=O)(=O)c1ccc(C(=O)N2C[C@@H]3CN(Cc4nccs4)C[C@]3(CO)C2)cc1 1772814414 XXGYTIAOGGCFOO-HNAYVOBHSA-N 421.544 1.113 0 50 HDAA O=C(N[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C1CCCC1)c1ccc(F)cc1Cl 1775981139 AJHIKWLVUBTAFS-LSDHHAIUSA-N 402.875 1.681 0 50 HDAA CCN(C)C(=O)[C@H]1C[C@H]2CN(C(=O)Cc3[nH]cnc3C)CC(=O)N2[C@H]1CC(C)C 1857713429 INPICZXXAHQVAN-BQFCYCMXSA-N 403.527 1.213 0 50 HDAA O=C(C[C@H]1CCCOC1)N1CCC2(CCc3c(O)nc(N4CCOCC4)nc32)CC1 1857717503 WFPKPAXBMCJKRI-MRXNPFEDSA-N 416.522 1.642 0 50 HDAA NC(=O)CN=c1[nH]c(-c2cccnc2)nc2c1CC[C@]21CCCN(Cc2cnc[nH]2)C1 1875251458 MCJWCGCKXXATNE-QFIPXVFZSA-N 418.505 1.061 0 50 HDAA C=CC(=O)NCCC(=O)NC[C@@H]1CCCCN1C(=O)[C@H]1COc2ccccc2O1 1875385763 BAZXTUCWAIBYCD-MAUKXSAKSA-N 401.463 1.016 0 50 HDAA O=C(NC[C@@H]1CC2(CCNCC2)C(=O)O1)[C@H]1CCc2ncc(Br)n2C1 2325854161 QDWFGHVVSVYSPD-RYUDHWBXSA-N 411.300 1.010 0 50 HDAA C=CC(=O)N1CCC(C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)CC1 2325884147 QCOQBZBKMTZPFM-UHFFFAOYSA-N 421.519 1.379 0 50 HDAA O=S(=O)(C[C@H]1COCCO1)N1CCC2(CC1)OCCc1c2[nH]c2ccccc12 2356163354 AKOWYIAAZICMPA-OAHLLOKOSA-N 406.504 1.777 0 50 HDAA CCOC(=O)c1c(NC(=O)COC(=O)CN2C(=O)CCC2=O)sc2c1CCCC2 1192091 PFMRDWNVOBVKCM-UHFFFAOYSA-N 422.459 1.434 0 50 HDAA COc1cc(/C=c2/sc3nc(=O)c(-c4ccccc4)nn3c2=O)cc(OC)c1OC 1747516 ZWQQAKAUWGJPRG-LFIBNONCSA-N 423.450 1.752 0 50 HDAA CCOC(=O)[C@H]1CS[C@@H](CC(=O)Nc2ccc(Br)cc2)C(=O)N1 9303601 WOUHOLQDEWGYFE-NEPJUHHUSA-N 401.282 1.941 0 50 HDAA COc1ccc(CN(CCO)CCO)cc1OC[C@@H](O)CN(C)Cc1ccccc1 12297607 IWEAHIKPGUDYLC-NRFANRHFSA-N 418.534 1.354 0 50 HDAA CC(C)[C@H]1NC(=O)[C@@H]2C[C@H](NCc3cnn(-c4cccc(Cl)c4)c3)CN2C1=O 14743756 RMYXRYBAUHDBII-RYQLBKOJSA-N 401.898 1.739 0 50 HDAA CSc1ccc(C[C@@]2(CCC(=O)NCCN3CCOCC3)CCC(=O)N2)cc1 14959272 XIEQXAGELVXKNY-OAQYLSRUSA-N 405.564 1.828 0 50 HDAA CCOC(=O)c1ccc(N2C(=O)C[C@@H](N3CCN(c4ncccn4)CC3)C2=O)cc1 18137911 XIPGCMPIHSEWAP-QGZVFWFLSA-N 409.446 1.107 0 50 HDAA O=C(C1CCOCC1)N1CCC[C@@H](N2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 19223299 OESNRUPOBZTCGP-HXUWFJFHSA-N 415.534 1.951 0 50 HDAA O=C1CC[C@H](C(=O)NCc2nnc3n2CCN(Cc2ccc4ccccc4c2)CC3)N1 20294493 KDJHCIRTXQOCDA-LJQANCHMSA-N 418.501 1.384 0 50 HDAA O=C(Cn1cnnn1)N1CCC[C@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 55342725 LBHOSCVYPZJSTB-KRWDZBQOSA-N 423.443 1.505 0 50 HDAA O=C(Cn1nc(N2CCOCC2)ccc1=O)Nc1nnc(Cc2ccccc2)s1 61720924 OGOQMTNNRUDGPJ-UHFFFAOYSA-N 412.475 1.161 0 50 HDAA CC(=O)NC1CN(C(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccccc2F)C1 170606265 VMEDHOWZGSURID-SFHVURJKSA-N 419.478 1.062 0 50 HDAA CCOC(=O)C[C@H](C)NC(=O)CCNS(=O)(=O)c1ccc(Br)cc1 170665860 PVDXDEUMMFXRMI-NSHDSACASA-N 421.313 1.575 0 50 HDAA Cc1c(Br)c(C(=O)NN2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@@H]45)[C@H]3C2=O)nn1C 239306139 GLYFZMQSXUISGI-DCHHYWPUSA-N 405.252 1.189 0 50 HDAA Cc1ncsc1CN1C[C@@H]2CN(C(=O)c3cnn4ccn(C)c34)C[C@]2(CO)C1 1772816466 MTBQOBWUOOYKIH-KUHUBIRLSA-N 400.508 1.004 0 50 HDAA O=C([C@@H]1CCc2sc(N3CCOCC3)nc2C1)N1CCc2c(O)ncnc2C1 1772819925 XTLICGYWXBBCNA-GFCCVEGCSA-N 401.492 1.165 0 50 HDAA Cc1cc(C)n(CC(=O)N2CCO[C@@H](CN3CCC(O)CC3)[C@@H]2c2ccccc2)n1 1857731103 KRKOCXUJVQSVLY-GMAHTHKFSA-N 412.534 1.925 0 50 HDAA Cc1nc2c(c(=NCCc3csc(=N)[nH]3)[nH]1)CC[C@@]21CCCN(C(=O)C2CC2)C1 1875244566 OESWMIZNSKFELR-OAQYLSRUSA-N 412.563 1.947 0 50 HDAA O=C(NCc1cnc2c(c1)CN(C(=O)[C@H]1CCOC1)CC2)c1ccncc1Cl 1875248217 DKARETFGZDQPKK-AWEZNQCLSA-N 400.866 1.981 0 50 HDAA C[C@H](NC(=O)NCc1nn[nH]c1-c1ccnn1C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 1875352197 XDGKQYYALTWVON-STQMWFEESA-N 418.502 1.650 0 50 HDAA CCCO[C@@H]1C[C@@H](C(=O)N2CCc3nocc3C2)CC[C@H]1NC(=O)c1cn[nH]c1 2100541074 USZAPUWHEDMSCP-MORSLUCNSA-N 401.467 1.676 0 50 HDAA COCCN1CCC[C@]2(CCCN2C(=O)CCn2nc(C)c(C(C)=O)c2C)C1=O 2356151522 LYACXSQLVKDAEB-NRFANRHFSA-N 404.511 1.723 0 50 HDAA Cc1ccc(CCN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N(C)Cc3ccno3)[C@@H]4C2=O)cc1 77287303 DAXCYPBCKRLDGF-GJPOJAMWSA-N 407.470 1.966 0 50 HDAA O=C(NCc1ccccn1)[C@@H]1CCCN(C2CCN(C(=O)c3cccnn3)CC2)C1 82137055 ZQGLAZOMAJHZLU-QGZVFWFLSA-N 408.506 1.505 0 50 HDAA O=C(C[C@H]1COCCN1)N1CCC2(CCC(=O)N(CCc3ccncc3)C2)CC1 91304934 YLFROGJSLGSCRS-IBGZPJMESA-N 400.523 1.234 0 50 HDAA COCC(=O)N1CCC(Oc2ccccc2C(=O)N[C@@H](C)c2nc(C)no2)CC1 95518658 LRAPOWISMZKWCE-ZDUSSCGKSA-N 402.451 1.885 0 50 HDAA COc1ccc2c(ccn2CCNC(=O)C[C@H]2NC(=O)c3ccccc3NC2=O)c1 206235369 ZUJLUYFYIKMGAI-GOSISDBHSA-N 406.442 1.907 0 50 HDAA Cc1ccc2cccc(NS(=O)(=O)c3ccc4c(c3)C(=O)NS4(=O)=O)c2n1 253424762 KITOKGWTRHBVTE-UHFFFAOYSA-N 403.441 1.776 0 50 HDAA O=C(NC[C@H]1CN(CC2CCN(CC3CC3)CC2)C(=O)CO1)c1cccc(F)c1 299765324 FNDRKZAVOXVBDH-FQEVSTJZSA-N 403.498 1.905 0 50 HDAA O=C(NC[C@H]1CN(CC2CCN(CC3CC3)CC2)C(=O)CO1)c1ccccc1F 299772386 VPCXOVYORHZSNS-SFHVURJKSA-N 403.498 1.905 0 50 HDAA CNC(=O)c1cc(S(=O)(=O)N2CCC[C@]3(CCc4cnc(C)nc43)C2)cs1 1704326199 XMCYPUITGWRVOG-SFHVURJKSA-N 406.533 1.875 0 50 HDAA CC(C)Cc1cc(C(=O)N2C[C@@H]3CN(Cc4nccs4)C[C@@]3(CO)C2)nc(O)n1 1772816276 JSOUQCGPRFGQPF-XOBRGWDASA-N 417.535 1.404 0 50 HDAA CNC(=O)c1cc(C(=O)NC)cc(-n2ccnc2-c2cnn3c(C)cc(C)nc23)c1 1857676245 MCJLVLTWSSORRC-UHFFFAOYSA-N 403.446 1.918 0 50 HDAA CCOC(=O)c1coc(=NC[C@H]2CN(CC3CCN(CC4CC4)CC3)C(=O)CO2)[nH]1 1857689312 AELSMJGYLBFHEK-KRWDZBQOSA-N 420.510 1.035 0 50 HDAA CO[C@H](C)c1nc(-c2cnc3cnn(C)c3c2)n(-c2ccc(S(N)(=O)=O)cc2)n1 1875348340 NVEFYYBUFJXOPZ-LLVKDONJSA-N 413.463 1.571 0 50 HDAA C[C@H]1CN(c2ccc(C(=O)Nc3ccc(NS(N)(=O)=O)cc3)cn2)C[C@H](C)O1 1875359906 SPFKOUTYZFLDHD-STQMWFEESA-N 405.480 1.563 0 50 HDAA COc1ccc(Nc2nc(C(=O)NCc3cn(CCO)c(=O)nc3O)cs2)cc1 2325851806 KBNMJAGHULHCJO-UHFFFAOYSA-N 417.447 1.080 0 50 HDAA COCCN1C(=O)c2ccc(Oc3ccc4c(c3)C(=O)N(CCOC)C4=O)cc2C1=O 2880653 YAMCZLOYUSWRTG-UHFFFAOYSA-N 424.409 1.964 0 50 HDAA CC[C@@H](C)CN1CCc2c(C(=O)OC)c(OCCN3CCCC3=O)cc(=O)n2CC1 12053850 SABSFZVMAREQFJ-MRXNPFEDSA-N 419.522 1.540 0 50 HDAA NC(=O)C1(N2CCCCC2)CCN([C@H]2CC(=O)N(Cc3cccs3)C2=O)CC1 18277082 ASOIDEQDJQHLPF-INIZCTEOSA-N 404.536 1.181 0 50 HDAA COc1ccc(OC2CCN(C(C)=O)CC2)c(C(=O)N[C@@H]2CCC(=O)N(C)C2)c1 95499019 MNIFQFOLMKPXEP-OAHLLOKOSA-N 403.479 1.436 0 50 HDAA CCN1CCN(C[C@@H](O)COc2cccc(CN(C)Cc3noc(C)n3)c2)CC1 95512302 MWUPQHUXRBVKFX-LJQANCHMSA-N 403.527 1.387 0 50 HDAA CCN1CCN([C@@H]2CC(=O)N(c3ccc(I)cc3)C2=O)CC1 100552131 BUJHBKSBRRCSBU-CQSZACIVSA-N 413.259 1.561 0 50 HDAA C[C@@H](Cn1cncn1)NS(=O)(=O)[C@H]1CCCN(C(=O)c2cccc(Cl)c2)C1 170593700 BHHCNDWKKPTFCU-BBRMVZONSA-N 411.915 1.544 0 50 HDAA COC(=O)C1=C(C(=O)OC)[C@]23C=CC=C[C@@]24C[C@@H](C(C(=O)OC)=C4C(=O)OC)[C@H]13 195524524 KYPYYYMRGZJZCQ-OZJMBLSISA-N 400.383 1.034 0 50 HDAA COc1ccc(S(=O)(=O)Nc2c(C)ccc(O)c2C)cc1[C@]1(C)NC(=O)NC1=O 225697628 RUSZBGKMUSURQN-IBGZPJMESA-N 419.459 1.873 0 50 HDAA CC1(C)Cc2c(cnn2-c2ccccc2F)CN(C(=O)C2=NN3CCCN=C3N2)C1 952894169 QFOGDCMFUXBWBN-UHFFFAOYSA-N 409.469 1.901 0 50 HDAA Nc1nc(N2CCC[C@@H](CNC(=O)Cc3cccc(F)c3F)C2)c2nc[nH]c2n1 952971488 OFCZKGBISDTILC-NSHDSACASA-N 401.421 1.789 0 50 HDAA Cc1ccc(-n2[nH]c(C(=O)NCc3cc(=O)n(-c4ccccc4)n3C)cc2=O)cc1 1303886389 WHPDZRAMNGCGGG-UHFFFAOYSA-N 403.442 1.893 0 50 HDAA Cc1cc(=O)c(O)c(C2(CC(=O)NC[C@@H]3CCS(=O)(=O)C3)CCSCC2)o1 1776111517 CLPNTIDYZZPNAK-ZDUSSCGKSA-N 415.533 1.360 0 50 HDAA O=C1CC[C@H](N2Cc3ccc(-n4cc(-c5ccc(F)cc5)nn4)cc3C2=O)C(=O)N1 1875355456 KTTKVKPDGBALKZ-SFHVURJKSA-N 405.389 1.834 0 50 HDAA Cn1ccc(=O)c(OCc2ccccc2)c1C(=O)N[C@@H](Cc1ccccc1)C(N)=O 1940195482 GIMHWWZLAXLZNU-SFHVURJKSA-N 405.454 1.791 0 50 HDAA NCc1nc[nH]c1C(=O)NS(=O)(=O)Cc1ccc(Br)cc1Cl 2325824635 KLFAWXYVDUVTNJ-UHFFFAOYSA-N 407.677 1.544 0 50 HDAA CN(C)c1ncc2c(n1)[C@@]1(CCCN(C(=O)c3ccccc3-c3nn[nH]n3)C1)CC2 2356146878 YNZZEVHHIVCZSY-NRFANRHFSA-N 404.478 1.843 0 50 HDAA Cc1c(C(=O)NCc2cc(CNC(=O)CCc3ccc(O)nn3)ccn2)ccn1C 2356159858 SYIJXUIIAJNCJO-UHFFFAOYSA-N 408.462 1.403 0 50 HDAA COc1cccc(N2C(=O)CN(C(=O)Cn3cnc4ccccc4c3=O)C[C@@H]2C)c1 12135598 LHKYZOMYYMXTAO-HNNXBMFYSA-N 406.442 1.669 0 50 HDAA COc1ccc(S(=O)(=O)NC[C@@H]2CCCN(C(=O)CN3CCCCC3)C2)cc1 12202832 WPXXAYOZKAHMPT-KRWDZBQOSA-N 409.552 1.698 0 50 HDAA COCCC(=O)N1CCC(Oc2ccc(C(=O)NCCn3ccnc3)cc2)CC1 12316327 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COc1ccc(NC(=O)[C@H](C)n2nc(C(F)F)c(S(C)(=O)=O)n2)cc1OC 225825571 VKVITSQSNZKAKW-QMMMGPOBSA-N 404.395 1.836 0 50 HDAA CC(C)C(=O)O[C@@H]1C[C@@H](n2ccc(NC(=O)c3ccccc3)nc2=O)O[C@H]1CO 245255938 MQAQCZHMPJARFY-VYDXJSESSA-N 401.419 1.343 0 50 HDAA CC(C)Cc1noc(CN2CCC[C@@H](n3ncc(N4CCN(C)CC4)cc3=O)C2)n1 328602212 ATRBWYFSESIFBH-QGZVFWFLSA-N 415.542 1.414 0 50 HDAA CSCC(=O)N1C[C@@H]2CN(C(=O)CCc3n[nH]c(C)c3C)C[C@]2(CN(C)C)C1 1772701726 OZZBSXMSXNIFPX-OXJNMPFZSA-N 407.584 1.171 0 50 HDAA CC[C@@H]1[C@H](C(=O)NCCc2cc[nH]n2)C[C@@H]2CN(Cc3cscn3)CC(=O)N21 1857692689 PMEPSMLENBUUHD-BRWVUGGUSA-N 402.524 1.036 0 50 HDAA COCCCN1CC2(CCN(C(=O)CCc3c(C)noc3C)CC2)OCCC1=O 1857733495 MHQMDLBRJIHDDY-UHFFFAOYSA-N 407.511 1.871 0 50 HDAA CCc1cc(C(=O)N2CCC[C@@H]2[C@@H]2CCN(C(=O)CC[C@@H]3CCC(=O)NC3)C2)n[nH]1 1875362044 NXMIODQDNKQZPM-FRQCXROJSA-N 415.538 1.732 0 50 HDAA CCN(CCN1CCCCC1)C(=O)[C@@H]1CCC(=O)N(CCCN2CCCC2=O)C1 11874240 HFRNYAMVRKIDDL-LJQANCHMSA-N 406.571 1.572 0 50 HDAA O=C1N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCN(C(=O)c3ccccc3Cl)C[C@H]12 14748512 BXQUOAZPOHCYAO-ZWKOTPCHSA-N 413.861 1.440 0 50 HDAA COCCC(=O)N1CCC(Oc2ccc(C(=O)N[C@H]3CCCCNC3=O)cc2)CC1 15063818 QUTIDJSYYUQXFE-IBGZPJMESA-N 417.506 1.491 0 50 HDAA CCN(CCN1CCCC1)Cc1ccc(OC[C@@H](O)CN2CCOCC2)c(OC)c1 19731337 LYGQMDLDLKRRAQ-NRFANRHFSA-N 421.582 1.685 0 50 HDAA O[C@H]1CN(C2CCN(Cc3ccccc3)CC2)C[C@@H]1N1CCN(c2ccccn2)CC1 20601753 AAXCCHVPIXYONL-ZEQRLZLVSA-N 421.589 1.913 0 50 HDAA Cc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NCc2cn3ccc(C)cc3n2)cc1 67755270 WFVOBAUCZWABLG-FQEVSTJZSA-N 405.502 1.958 0 50 HDAA CN(C)c1ccnc(N2CCC(N3CCC[C@@H](C(=O)N4CCOCC4)C3)CC2)n1 71749276 AGBQKOGVVDTVNY-QGZVFWFLSA-N 402.543 1.082 0 50 HDAA Cn1nnc(-c2ccc(OCC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)O)cc2)n1 218279167 WINFQPYGJBPATB-SFHVURJKSA-N 420.429 1.549 0 50 HDAA COC(=O)c1cccnc1COc1ccc(S(=O)(=O)N2CCCC2)cc1C(N)=O 253400387 BCZYLRZQWBDYMH-UHFFFAOYSA-N 419.459 1.331 0 50 HDAA Cc1noc(C)c1CC(=O)NC[C@@H]1CN(CC2CCN(CC3CC3)CC2)C(=O)CO1 299775783 JMXMBRSMNYAERL-LJQANCHMSA-N 418.538 1.300 0 50 HDAA Cn1ccnc1CN1[C@H]2CC[C@@H]1CNC(=O)c1cc(F)ccc1OCCNC(=O)C2 1857739696 OSZILWIDTQQQAP-JKSUJKDBSA-N 415.469 1.221 0 50 HDAA CC1CCN(Cc2nnnn2CC(=O)NCCc2cnn(-c3ccccc3)c2)CC1 12302360 LTBZIDAPNZMTQO-UHFFFAOYSA-N 408.510 1.450 0 50 HDAA CCOc1ccc(N2C(=O)C[C@@H](N3CCN(CCc4ccccn4)CC3)C2=O)cc1 19890283 VRXCGJXVMWUMNI-OAQYLSRUSA-N 408.502 1.973 0 50 HDAA CCOC(=O)N1CCN(Cc2cccc(OC[C@@H](O)CN3CCOCC3)c2)CC1 20539565 BVVLFYQNWSXEII-IBGZPJMESA-N 407.511 1.033 0 50 HDAA Cc1c[nH]c(C(=O)N2CCC3(CC2)CN(CCN2CC[C@H](N(C)C)C2)C(=O)O3)c1 77487717 HTHZJPJMBHAUPS-KRWDZBQOSA-N 403.527 1.386 0 50 HDAA COc1cccc(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N3CCc5n[nH]cc5C3)[C@H]4C2=O)c1 77518952 BBBLVARIVVOJBQ-SRYPRDQNSA-N 420.469 1.285 0 50 HDAA CN(Cc1ccno1)C(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(c4ccc(CCO)cc4)C(=O)[C@@H]13)O2 77539831 YQDWEEKKNSPTMR-VWNVYAMZSA-N 409.442 1.154 0 50 HDAA O=C(C[C@@H]1NC(=O)N(Cc2cccc(F)c2)C1=O)N1CCN(c2ccccn2)CC1 170625203 FDISCQZKNLTLTP-KRWDZBQOSA-N 411.437 1.380 0 50 HDAA O=C(Nc1nc(CN2CCOCC2)cs1)C(=O)N1CCC[C@@H]1c1ccncc1 225742656 QXVOBZZQJWGANX-MRXNPFEDSA-N 401.492 1.673 0 50 HDAA COC(=O)c1cn(-c2ccc3c(c2)N(S(C)(=O)=O)CCC3)cc2c(=O)[nH]nc1-2 253401124 FJUQFSAASMGXHU-UHFFFAOYSA-N 402.432 1.164 0 50 HDAA Cc1cc(NC(=O)[C@H](C)N2CCC[C@H](c3n[nH]cc3C(=O)N3CCOCC3)C2)on1 328602975 DNVGPUYFELMBTK-GJZGRUSLSA-N 416.482 1.385 0 50 HDAA COC(=O)c1cc(C(=O)OCC(=O)NCC(=O)N[C@@H](C)c2ccc(F)cc2)c[nH]1 814531379 HQOQXOSCGVXUNV-NSHDSACASA-N 405.382 1.091 0 50 HDAA Cc1ccc(C)c([C@@H](C(=O)O)N2CCCN(S(=O)(=O)N3CCOCC3)CC2)c1 1506405904 XNWBGMMEMOEZTG-SFHVURJKSA-N 411.524 1.014 0 50 HDAA COc1ccc2c(c1)C=C(CN1CCC3(CC1)C[C@](C)(NC(C)=O)[C@@H](O)CO3)CO2 1772704448 GKFQPICSOJECJI-VXKWHMMOSA-N 416.518 1.982 0 50 HDAA COC(=O)[C@]1(C)CCCN(c2ncnc3c2ncn3C[C@@H](CO)[C@@H]2CCOC2)C1 1857532708 KRVUVXDCDSTTNN-QEEYODRMSA-N 403.483 1.251 0 50 HDAA COc1ccnc(N2CC[C@@H]3C[C@H](N4CCOCC4)CC[C@@]3(C(=O)NC3CC3)C2)n1 1857670816 DGCFVDUTEALTSD-RADWXHQJSA-N 415.538 1.461 0 50 HDAA NC(=O)CN1CCC2(CCc3c(N4CCC[C@H](O)C4)nc(-c4ccccc4)nc32)CC1 1857693723 JMVUVZUHFIISNG-SFHVURJKSA-N 421.545 1.870 0 50 HDAA CC[C@H]1[C@@H](C(=O)NC2CC2)C[C@H]2CN(C(=O)Cn3cc4ccccc4n3)CC(=O)N21 1857734105 DZKKBXGIQUKUQN-LNLFQRSKSA-N 409.490 1.153 0 50 HDAA O=C(Cc1cccnc1)NCc1cnc2c(c1)CN(C(=O)COC[C@@H]1CCCO1)CC2 1875243120 QUTBHCFUPQPDNQ-FQEVSTJZSA-N 424.501 1.416 0 50 HDAA COc1ccc(S(=O)(=O)N(C)CC2(F)CCCC2)cc1[C@]1(C)NC(=O)NC1=O 1875348172 ZIUZSYWOIXTHOZ-KRWDZBQOSA-N 413.471 1.653 0 50 HDAA O=C(N=c1nc2nccc(-c3ccccn3)n2[nH]1)c1ccccc1N1CCOCC1 2356138030 FQEVWDMTXAGFTA-UHFFFAOYSA-N 401.430 1.697 0 50 HDAA CCn1nnnc1-c1ccc(OC)c(S(=O)(=O)Nc2ccc(C(=O)OC)cc2)c1 1144510 CMRITFMOJDQQOJ-UHFFFAOYSA-N 417.447 1.956 0 50 HDAA O=C(N[C@@H](Cc1ccc2c(c1)OCO2)C(=O)N1CCC[C@@H]1C(=O)O)c1ccccc1 2989273 VKWBFVCJTYULKJ-DLBZAZTESA-N 410.426 1.832 0 50 HDAA CCn1ccc([C@@H](C)NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cn(CC)nc3C)C2)n1 6637418 BJLCKRBLUMQSIL-GDBMZVCRSA-N 422.555 1.706 0 50 HDAA COC(=O)C1CCN(Cc2c(C(=O)N3CCCN(C)CC3)nc3sccn23)CC1 11820232 POJZSOUZSYXRAA-UHFFFAOYSA-N 419.551 1.559 0 50 HDAA O=C(CC[C@H]1CCCN(C(=O)CCn2cnnn2)C1)NCc1ccc(F)c(F)c1 11842369 KGQHSHYPCRDXQW-CQSZACIVSA-N 406.437 1.677 0 50 HDAA CN(Cc1ccc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)[nH]1)C[C@H]1COCCO1 12280114 GILAABOBSANRNC-UVLALUNPSA-N 415.534 1.921 0 50 HDAA C[C@H]1CN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2CCc2ccccc2)C[C@H](C)O1 12547473 NRABKRZVUACEST-HOTGVXAUSA-N 411.506 1.286 0 50 HDAA Cc1nonc1C(=O)N1CCC[C@@H](CCC(=O)N2CCN(c3ccccn3)CC2)C1 12588669 BILXTWLNQAFLFN-KRWDZBQOSA-N 412.494 1.754 0 50 HDAA COc1ccc(CN2CCc3nnc(CNC(=O)c4ccncc4)n3CC2)cc1OC 19745154 OCXGRUTVVZMFGP-UHFFFAOYSA-N 422.489 1.679 0 50 HDAA O=S(=O)(CC1CC1)c1ncc(CN2CCN(CCO)CC2)n1CC1CCCCC1 19939556 AGUFUZPOFAZHNK-UHFFFAOYSA-N 424.611 1.757 0 50 HDAA CC(C)NC(=O)CN1CCN(Cc2c(C(=O)N3CCCC3)nc3ccccn23)CC1 20209865 JQUIRPHIVJOHFY-UHFFFAOYSA-N 412.538 1.213 0 50 HDAA COc1cccc(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N(C)CCc3cn[nH]c3)[C@H]4C2=O)c1 77519019 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O=C1CC[C@@H](N2Cc3ccc(-n4cc(-c5ccc(F)cc5)nn4)cc3C2=O)C(=O)N1 1875355455 KTTKVKPDGBALKZ-GOSISDBHSA-N 405.389 1.834 0 50 HDAA O[C@H]1CCCN(c2nc(Sc3ncccc3Cl)nc(N3CCC[C@@H](O)C3)n2)C1 1875391139 ADOZIEJFYYTGCK-BETUJISGSA-N 422.942 1.993 0 50 HDAA O=C1CC[C@@H](N2Cc3cc(C(=O)N4CCC[C@H](OC(F)F)C4)ccc3C2=O)C(=O)N1 2325901632 OOKAAGMKGFKEPI-DZGCQCFKSA-N 421.400 1.291 0 50 HDAA CN(C)S(=O)(=O)N(CC(=O)N1CCN(c2ccccc2F)CC1)c1ccccc1 4810817 OMJLYMFWCCJCPV-UHFFFAOYSA-N 420.510 1.787 0 50 HDAA CC1CCN(S(=O)(=O)c2ccc(N3C(=O)C(C)(C)CS3(=O)=O)cc2)CC1 11997953 KCXNBIUHKOICFW-UHFFFAOYSA-N 400.522 1.810 0 50 HDAA COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NCCc2ccccc2)cc1OC 15069607 VMRDGZNSKRRYCG-LJQANCHMSA-N 411.502 1.753 0 50 HDAA CCN1CCN(C(=O)COc2ccc(S(=O)(=O)NC(C)C)cc2Cl)CC1 20419466 GXXHYMWVSPRYMT-UHFFFAOYSA-N 403.932 1.570 0 50 HDAA O=S(=O)(CC1CC1)c1ncc(CN2CCN(CC3CC3)CC2)n1C[C@H]1CCCO1 22913950 OVLWXRYEYNEWCF-HXUWFJFHSA-N 422.595 1.773 0 50 HDAA O=C([C@@H]1[C@@H]2C=C[C@@]3(CN(c4ccc(CCO)cc4)C(=O)[C@@H]13)O2)N1CCSCC1 77539917 MRROVYUUZDJFCT-OOSNJVJTSA-N 400.500 1.083 0 50 HDAA COc1ccc(CN2CCC[C@H](n3ncc(N4CC[C@H](O)C4)cc3=O)C2)cc1F 328604396 JMJGIEHUPXFTGK-WMZOPIPTSA-N 402.470 1.799 0 50 HDAA CO[C@@H](C(=O)N1CCC[C@H](n2ncc(N3CCOCC3)cc2=O)C1)c1ccccc1 328605580 OBEIXBOZVWWUGG-GHTZIAJQSA-N 412.490 1.631 0 50 HDAA O=C(Nc1nccs1)c1ccc(S(=O)(=O)N2C[C@@H]3C[C@H]4C[C@H]3[C@H]2[C@H]4O)cc1 408521054 GJXGDUPFBJYKJS-NRLBWEKTSA-N 405.501 1.785 0 50 HDAA O=C(c1ccc(N2CCN(c3ncnc4ccccc34)CC2)nc1)N1CCOCC1 1704280543 XKZOMZNVFNTWEX-UHFFFAOYSA-N 404.474 1.824 0 50 HDAA CN(C)C[C@@H](O)CN1CCN(c2noc(-c3ccc(Cl)cc3)c2C(=O)O)CC1 1704303836 JMKSLJVZIYRUGB-OAHLLOKOSA-N 408.886 1.738 0 50 HDAA O=C(NC[C@H]1CN(CC2CCN(CC3CC3)CC2)C(=O)CO1)c1cccn1C1CC1 1857667070 IFNLSWYHCHILIH-FQEVSTJZSA-N 414.550 1.902 0 50 HDAA O=C(NC[C@@H]1CN(CC2CCN(CC3CC3)CC2)C(=O)CO1)c1cc(C2CC2)no1 1857667430 SLUNWJLYODHQOK-GOSISDBHSA-N 416.522 1.631 0 50 HDAA O=C1C[C@H](C(=O)N2CCC3(CC2)OCCc2cc(C(=O)NC4CC4)sc23)CN1 1857687305 PKBBAUDFADMUNZ-ZDUSSCGKSA-N 403.504 1.167 0 50 HDAA CC(C)N1CCN(C(=O)[C@]23COC[C@H]2CN(C(=O)c2ccc(Cl)cn2)C3)CC1 1857691430 KWZFANBFXCULPM-FOIQADDNSA-N 406.914 1.376 0 50 HDAA COCCn1nnc([C@H]2CN(Cc3cnc(-c4ccccc4OC)nc3)CCO2)n1 1857719854 VXXRLZBKFPLWJY-GOSISDBHSA-N 411.466 1.359 0 50 HDAA CCCN1CC(=O)N2[C@@H](C[C@H](C(=O)NCCCCCO)[C@@H]2c2ccc(OC)cc2)C1 1857731413 HHNNTAUCDCFMGR-VCOUNFBDSA-N 417.550 1.958 0 50 HDAA Cc1cccc(N2CCN(CC(=O)N3C[C@@H](C(=O)O)C4(CCOCC4)C3)CC2)c1 2100390481 YDZFJRORSPXNRC-IBGZPJMESA-N 401.507 1.457 0 50 HDAA O=C(c1cncc(=O)[nH]1)N1CCC2(CCc3c(O)nc(-c4cccnc4)nc32)CC1 2100482158 BGSFGRHFBPCGSE-UHFFFAOYSA-N 404.430 1.448 0 50 HDAA CCn1ccc(C(=O)N2CCCCNC(=O)C[C@H]3CCCCN3CCC2)cc1=O 2100533765 ZEXWPQPWVBJHAT-LJQANCHMSA-N 402.539 1.855 0 50 HDAA O=C1NCCN(C(=O)CCn2nc(O)c3ccccc3c2=O)[C@H]1Cc1ccccc1 2325733334 HCOUSHSDXRTZLS-SFHVURJKSA-N 406.442 1.062 0 50 HDAA COc1cc2c(cc1OC)C1(CCN(C(=O)[C@@H](N)Cc3cnc[nH]3)CC1)OCC2 2356141487 DOFQHVBWYRXOKV-KRWDZBQOSA-N 400.479 1.387 0 50 HDAA CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(OCC(=O)N2CCOCC2)cc1 705249 TYBTZGUGMGLPGM-GOSISDBHSA-N 419.503 1.280 0 50 HDAA COc1ccc(OC[C@H](O)CN2CCC(O)CC2)c(CN(C)C2CCOCC2)c1 11838431 CECVDPLJYATLPA-HXUWFJFHSA-N 408.539 1.502 0 50 HDAA COC(=O)c1ccccc1-c1cc(C)cc2c1O[C@H](CNC(=O)c1n[nH]c(=O)[nH]1)C2 12030201 CTFIQWAALKPUTK-ZDUSSCGKSA-N 408.414 1.594 0 50 HDAA Cc1cnc(CNC(=O)C[C@@H]2C(=O)NCCN2Cc2cccc3ccccc23)cn1 12713957 QERJKRCZECBQEY-OAQYLSRUSA-N 403.486 1.945 0 50 HDAA COc1cc(CN2CCNC(=O)[C@H]2CC(=O)NCCc2cccnc2)cc(OC)c1 20599617 WCIOZKINJRVYOL-HXUWFJFHSA-N 412.490 1.148 0 50 HDAA NC(=O)NCC(=O)N1CCC[C@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 72132163 QZTNSHMMUCXEDU-INIZCTEOSA-N 413.444 1.487 0 50 HDAA CN(Cc1cnccn1)C(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(Cc4ccc(F)cc4)C(=O)[C@@H]13)O2 77406633 YETZPOGYWFTUHL-VWNVYAMZSA-N 408.433 1.556 0 50 HDAA C[C@H](C(=O)N1CCC2(CCC(=O)N(CCCn3ccnc3)C2)CC1)N1CCCC1 95519631 QSWIMBWSRLYZGW-LJQANCHMSA-N 401.555 1.989 0 50 HDAA CCC1=NO[C@@H](CNC(=O)c2ccc(OC3CCN(C(=O)COC)CC3)cc2)C1 95531663 BRLOJIBXWAQUTC-LJQANCHMSA-N 403.479 1.988 0 50 HDAA COc1ccc(CCN2C(=O)N[C@@H](CC(=O)NCc3ccccn3)C2=O)cc1OC 170625229 NQSXRWSRSIEGCI-INIZCTEOSA-N 412.446 1.268 0 50 HDAA biogenic Cc1cc(C)nc(-n2nc(C)cc2NC(=O)COC(=O)C(=O)N2CCC(C)CC2)n1 225842504 MAXPYLGYOMGZJL-UHFFFAOYSA-N 414.466 1.328 0 50 HDAA Cn1c(=O)c2sccc2n2c(CN3CCC[C@@H]([C@H](O)C(F)(F)F)C3)nnc12 444731422 VGPBMAUEKOFNJP-RNCFNFMXSA-N 401.414 1.778 0 50 HDAA CS(=O)(=O)Nc1ccc(F)cc1C(=O)N1CC[C@]2(C1)C(=O)Nc1ccccc12 681752356 DHSRFKDDLQPWQV-LJQANCHMSA-N 403.435 1.933 0 50 HDAA CC[C@@H]1CN(S(=O)(=O)c2ccc(NS(=O)(=O)N(C)C)cc2)CCN1C(C)C 952982271 NYIXDOSEQHATKI-MRXNPFEDSA-N 418.585 1.398 0 50 HDAA CCc1cc(C(=O)N(CC(=O)NC)C[C@H](C)N(C)Cc2ccccc2)cn(C)c1=O 1857532564 KLQZEDDNGKXGJG-KRWDZBQOSA-N 412.534 1.656 0 50 HDAA CC[C@@H]1[C@H](C(=O)N2CCCCC2)C[C@@H]2CN(C(=O)c3oc(C)nc3C)CC(=O)N21 1857687034 IPUKRAYJGDQNEQ-BRWVUGGUSA-N 402.495 1.755 0 50 HDAA Cn1cc([C@H]2[C@H](CN3CCCCC3)OCCN2C(=O)CCc2ccnn2C)cn1 1857704441 RXNZPVHSYGYUNH-FPOVZHCZSA-N 400.527 1.541 0 50 HDAA O=C1CN(Cc2cccnc2)CCCNC(=O)c2cc(Cl)ccc2OCCN1 1857711635 IZPBXMUSAIMUJY-UHFFFAOYSA-N 402.882 1.866 0 50 HDAA O=C(Cn1cncn1)NCC(=O)Nc1ccc2c(c1)N(C(=O)Cc1ccccc1)CC2 1875258723 RILPFTUNPNHPJB-UHFFFAOYSA-N 418.457 1.165 0 50 HDAA CC(C)[C@H](C(=O)N1CCCN(c2ncnc3[nH]cnc23)CC1)N1C[C@H](C)O[C@H](C)C1 1875263925 RELYDSFVHSWIJK-SOLBZPMBSA-N 415.542 1.525 0 50 HDAA CCN1C[C@@H](C(=O)N2CCCC[C@@H](NC(=O)c3cccc(C(N)=O)c3)C2)CCC1=O 1875359667 MFJSSELTMRWHKF-ZWKOTPCHSA-N 414.506 1.155 0 50 HDAA Cn1cnnc1C[C@H](NC(=O)[C@@H]1C[C@]1(C)c1cccc(Br)c1)C(=O)O 2325853785 BKDJIILAHABMMQ-GDZNZVCISA-N 407.268 1.667 0 50 HDAA O=S(=O)(c1ccccc1)N1C[C@H](O)[C@@H](N2CCC(OCc3cccnc3)CC2)C1 11938200 MVAMZBKMTNJFTM-SFTDATJTSA-N 417.531 1.497 0 50 HDAA Cc1ccc(NC(=O)N[C@H]2C[C@H]3C(=O)N[C@@H](CCCCN)C(=O)N3C2)cc1Cl 14747907 JHDUIFJMAGRGTQ-BPUTZDHNSA-N 407.902 1.367 0 50 HDAA COc1ccccc1CCCNC(=O)[C@H]1CCC(=O)N(CCCN2CCOCC2)C1 15075177 RUGXGUXOMFJVJE-FQEVSTJZSA-N 417.550 1.705 0 50 HDAA CCOC(=O)N1CCN([C@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)C2=O)CC1 19881538 CFYMWLOQWJZUOE-INIZCTEOSA-N 419.478 1.148 0 50 HDAA CN1CCN(C(=O)c2cn(CCCNC(=O)c3ccc(C(C)(C)C)cc3)nn2)CC1 20542896 LIVYROZEKYXPPE-UHFFFAOYSA-N 412.538 1.783 0 50 HDAA Cc1nnc(CCNC(=O)C[C@@H]2C(=O)NCCN2Cc2ccccc2C(F)(F)F)[nH]1 20820057 XMWDLZKRABUCQD-OAHLLOKOSA-N 424.427 1.181 0 50 HDAA Cn1c(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc(=O)n(C)c1=O 30947934 DDQPYZZZZHDNOT-UHFFFAOYSA-N 418.497 1.631 0 50 HDAA Cc1nc(CN(C)C(=O)[C@@H]2[C@@H]3C=C[C@@]4(CN(Cc5ccc(C)c(C)c5)C(=O)[C@H]24)O3)no1 77394190 YWEURZOQULYHQE-USKVXJDGSA-N 422.485 1.935 0 50 HDAA O=C1CO[C@H](COc2ccc(F)cc2)CN1C1CCN(CCN2CCOCC2)CC1 299774499 JQFWYAUWGRMQBC-NRFANRHFSA-N 421.513 1.229 0 50 HDAA O=C(CN1CCC(N2C[C@H](COc3ccc(F)cc3)OCC2=O)CC1)N1CCCC1 299798597 SLLQBVLAXURNRB-HXUWFJFHSA-N 419.497 1.519 0 50 HDAA C[C@H]1CN(C[C@@H]2CCCN2C(=O)C(=O)Nc2cccc(S(C)(=O)=O)c2)C[C@@H](C)O1 438775829 HOUFVHYPEXKKAS-UXLLHSPISA-N 423.535 1.129 0 50 HDAA O=C(Cn1c(=O)oc2ccccc21)N1CCN(c2nnc(C(F)(F)F)s2)CC1 827952882 FXRZCPRNMDACAM-UHFFFAOYSA-N 413.381 1.814 0 50 HDAA O=C(Nc1ccc(OCC(=O)N2CCOCC2)cc1)c1ccccc1-n1cncn1 952981082 UBVGFNJRAKEFBI-UHFFFAOYSA-N 407.430 1.757 0 50 HDAA Cc1cc(=O)c(O)c(C2(CC(=O)N[C@H]3CCS(=O)(=O)C3)CCSCC2)o1 1776111428 WIXPGYFDJNVJCX-LBPRGKRZSA-N 401.506 1.112 0 50 HDAA CCN1CCN(CCOc2ccccc2CN2C[C@@H]3CCOC[C@]3(CO)C2)CC1 1857669047 VVKCREPZPCKLBI-JTHBVZDNSA-N 403.567 1.534 0 50 HDAA Cc1ccc2c(c1)C(=O)NCCN(C(=O)[C@@H]1CCCO1)CCCC(=O)NCCO2 1857670009 KNLMPKFEVHGHDK-SFHVURJKSA-N 403.479 1.021 0 50 HDAA Cc1nnc(CN2CCOC3(CCN(CCc4nccn4C)CC3)CC2=O)s1 1857707200 IALBRDOOANXIAR-UHFFFAOYSA-N 404.540 1.406 0 50 HDAA Cc1nc2nc(=N)[nH]n2c(C)c1CCC(=O)N[C@@H](C)Cc1nc(-c2ccccc2)no1 1875254024 IWAOKTMXPPVFLT-LBPRGKRZSA-N 420.477 1.884 0 50 HDAA CCOC(=O)c1cc2n(c1)CCN(S(=O)(=O)c1ccc3c(c1)n(C)c(=O)n3C)C2 1875345789 JCEOWIPJDJPIDW-UHFFFAOYSA-N 418.475 1.060 0 50 HDAA COc1cccc2c1C1(CCN(C(=O)NC[C@@H]3CCS(=O)(=O)C3)CC1)OCC2 2356156099 RISGWBPMMMYTPP-HNNXBMFYSA-N 408.520 1.703 0 50 HDAA Cn1nnnc1SCCNC(=O)[C@H]1CCC(=O)N(CCc2cccc(F)c2)C1 12439747 HQJFLDFPCBUMLP-AWEZNQCLSA-N 406.487 1.039 0 50 HDAA O[C@@H](COc1ccccc1CNCCCN1CCOCC1)CN1CCSCC1 12469902 VEZUTIPMOXXPSX-HXUWFJFHSA-N 409.596 1.287 0 50 HDAA CN(C[C@@H]1COCCO1)C(=O)c1coc(CN2CCN(Cc3ccccc3)CC2)n1 23360676 GFLPEHDPRPSENP-LJQANCHMSA-N 414.506 1.480 0 50 HDAA O=S(=O)(c1cccc(Cl)c1)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 38530794 ZWUUPEQTYNZWAX-UHFFFAOYSA-N 423.926 1.478 0 50 HDAA Cc1nc2cc(OCc3nc(C(=O)NCCN4CCNC4=O)co3)ccc2s1 91997335 RJYBBROIWDEKDA-UHFFFAOYSA-N 401.448 1.927 0 50 HDAA COC(=O)N[C@H](C)C(=O)N1CCC2(CCC(=O)N(Cc3cnc(C)cn3)C2)CC1 95376484 KQFSFIIVXSXXAJ-OAHLLOKOSA-N 403.483 1.261 0 50 HDAA COC(=O)c1scc(C)c1S(=O)(=O)NN1C(=O)NC2(CCCCC2)C1=O 170610568 BJXLGQYGQREGHD-UHFFFAOYSA-N 401.466 1.291 0 50 HDAA CC(=O)NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(C)nc2Cl)cc1 170617515 DESOUHDXRFLDBT-UHFFFAOYSA-N 403.869 1.669 0 50 HDAA CC(=O)NCc1cc2n(n1)CCN(c1cc(Sc3cccs3)nc(N)n1)C2 426534463 NTXURSAUFJOEJV-UHFFFAOYSA-N 401.521 2.124 0 50 HDAA CCOC(=O)c1[nH]c(C)c(C(=O)N2CCO[C@@H](CN(C)C)[C@@H]2c2cnn(C)c2)c1C 1857710378 URDYBZXJFBRUHI-LPHOPBHVSA-N 417.510 1.686 0 50 HDAA Cn1ccnc1CCNC(=O)[C@@H]1CC(=O)N(c2nnc(Cc3ccccc3)s2)C1 1857714991 WEBDCQJRYJLZEN-OAHLLOKOSA-N 410.503 1.574 0 50 HDAA CN1CCn2nc(C(=O)N3CCO[C@@H](CN4CCCC4)[C@@H]3c3ccccc3)cc2C1=O 1857723248 ZKPZTBOCYAXBMS-SFTDATJTSA-N 423.517 1.647 0 50 HDAA COCC(=O)N1CCC[C@@]2(CCc3c2nc(C2CC2)[nH]c3=NC2CCOCC2)C1 1875251225 ZNNNDFICVKAZNK-JOCHJYFZSA-N 400.523 1.820 0 50 HDAA CC(C)c1noc(C[C@]2(O)CCCN(S(=O)(=O)Cc3ccc4nonc4c3)C2)n1 1875345540 AUVVRBNYCLQFTO-GOSISDBHSA-N 421.479 1.629 0 50 HDAA C=CC(=O)N1CCC(C(=O)Nc2ccccc2OCC(=O)N2CCOCC2)CC1 1875369215 AURNPMNOWBIORI-UHFFFAOYSA-N 401.463 1.287 0 50 HDAA O=S(=O)(c1ccc2c(c1)CCCN2S(=O)(=O)c1ccccc1)N1CCOCC1 10119290 LKSAXKNHXHAIDW-UHFFFAOYSA-N 422.528 1.849 0 50 HDAA Cc1cc(C)n(-c2ccc(N3CCN(S(=O)(=O)c4cccc(F)c4)CC3)nn2)n1 13009493 CFVSMGRBFWRMED-UHFFFAOYSA-N 416.482 1.929 0 50 HDAA COCCSc1nnc(CCNC(=O)c2cccc(N3CCCC3=O)c2)n1C 20271711 GABOCUDNAKKWLY-UHFFFAOYSA-N 403.508 1.653 0 50 HDAA O=C(CCC1CCN(C(=O)[C@@H](c2cccnc2)N2CCOCC2)CC1)NC1CC1 20785398 IWNXVYVKFWSZIY-OAQYLSRUSA-N 400.523 1.752 0 50 HDAA O=C([C@@H]1[C@@H]2C=C[C@@]3(CN(c4ccc(F)cc4)C(=O)[C@@H]13)O2)N1CCCn2cncc2C1 77342344 JMWSNMIASIOHTK-JYLXEMOASA-N 408.433 1.741 0 50 HDAA COc1cccc(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N(C)Cc3cc(C)on3)[C@@H]4C2=O)c1 77555274 POCAPMBOZYUNJL-GJPOJAMWSA-N 423.469 1.932 0 50 HDAA CC(C)[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@H]12 137964837 BGSMTQUYFYYNNC-YWNPBTLJSA-N 419.437 1.996 0 50 HDAA C[C@@H]1CO[C@@H](CO)CN1C(=O)c1c[nH]nc1[C@H]1CCCN(C(=O)OC(C)(C)C)C1 252571964 YOPJPJJQLWEHLH-QLFBSQMISA-N 408.499 1.746 0 50 HDAA Cc1cccc([C@H](CNC(=O)CCCCCCS(N)(=O)=O)N2CCOCC2)c1 253417974 QEHWJTOYRYKPAP-IBGZPJMESA-N 411.568 1.724 0 50 HDAA Cc1cn2nc(N3CCC[C@H](c4n[nH]cc4C(=O)N4CCOCC4)C3)sc2n1 328605195 MHZLFZAZTORPKH-ZDUSSCGKSA-N 401.496 1.679 0 50 HDAA NC(=O)c1ccc(NC(=O)C[C@H]2NC(=O)N(CCc3c[nH]c4ccccc34)C2=O)cc1 334162702 YDTGNDTUFWWBTM-GOSISDBHSA-N 419.441 1.759 0 50 HDAA NC(=O)c1cc(-c2nc(CC(=O)NCCc3ccccc3)no2)nn1-c1ccccc1 445326296 VIYVVTRKGMYKQD-UHFFFAOYSA-N 416.441 1.923 0 50 HDAA O=C(Cc1csc(-c2ccc3c(c2)OCO3)n1)N1CCO[C@@H](c2nn[nH]n2)C1 732089302 GCJSPEQIXVIQDY-CQSZACIVSA-N 400.420 1.195 0 50 HDAA Cc1ccc(CC(=O)NS(=O)(=O)c2cccc(-c3nnnn3C)c2)c(Cl)c1 790772054 GKMRCPCEGGOZIE-UHFFFAOYSA-N 405.867 1.887 0 50 HDAA CCOc1ccc(CN2CCN(S(=O)(=O)N3CCOCC3)CC2)cc1Cl 823383244 XABWLGWOMFQTSE-UHFFFAOYSA-N 403.932 1.433 0 50 HDAA Cc1cccc(N(CC(=O)N[C@@H]2CCCN(C(=O)c3ccco3)C2)S(C)(=O)=O)c1 827825737 GAKJSKCDWNHHCG-MRXNPFEDSA-N 419.503 1.775 0 50 HDAA O=C(O)[C@@H]1CCCN(S(=O)(=O)N(CCO)CC23CC4CC(CC(C4)C2)C3)C1 1506420493 FUDHNJOBPMJCFV-YMVOSSCXSA-N 400.541 1.539 0 50 HDAA CCOc1cc(C)c(Cl)cc1S(=O)(=O)N1CCN(CC(=O)O)C(=O)[C@H]1C 1506427243 XPBJRGBZQKNCAY-LLVKDONJSA-N 404.872 1.353 0 50 HDAA Cc1ccc2cc1OCCn1cc(nn1)CCC(=O)NCC[C@H]1CCCN(C1)C2=O 1704321268 GJRHGPGNQHMYMX-QGZVFWFLSA-N 411.506 1.970 0 50 HDAA Nc1n[nH]c(C2CCN(C(=O)c3c(N4CCOCC4)noc3-c3ccccc3)CC2)n1 1704325223 JWGKASXRVYTQIM-UHFFFAOYSA-N 423.477 1.898 0 50 HDAA COc1ccc(Cc2nc([C@@H](C)N)n(CC(=O)NC[C@@H]3CCCO3)n2)cc1OC 1857681859 PCQFBUCUEDIEKS-HIFRSBDPSA-N 403.483 1.201 0 50 HDAA COC(=O)[C@@H]1CN(C(=O)NCc2c(Br)nnn2C)Cc2ccccc21 2325818986 LAXSWRXEDMSTIB-GFCCVEGCSA-N 408.256 1.560 0 50 HDAA Cn1ccc([C@H](NS(=O)(=O)c2ccc3[nH]c(=O)cnc3c2)c2ccc(F)cc2)n1 2325862070 IDDQJXDEHPIFFT-LJQANCHMSA-N 413.434 1.864 0 50 HDAA COc1cc(S(=O)(=O)N2CCC(C(N)=O)CC2)c(OC)cc1Br 8714979 QHUGMPIFJZGXAV-UHFFFAOYSA-N 407.286 1.352 0 50 HDAA COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)N(C)C2CCOCC2)cc1OC 12710690 QCFSQAYIWNGOQA-KRWDZBQOSA-N 405.495 1.032 0 50 HDAA COCCN1C(=O)N(Cc2cccc(OC)c2)C(=O)C12CCN([C@@H](C)COC)CC2 14542250 DPUVMTRPEIOFEW-KRWDZBQOSA-N 419.522 1.975 0 50 HDAA O=C(NCCc1nnc2n1CCN(Cc1ccc(F)cc1F)CC2)[C@H]1CCCO1 14880737 CULRPDICBWGJMK-QGZVFWFLSA-N 405.449 1.452 0 50 HDAA COc1ccc(S(=O)(=O)NC[C@H]2CCCN(C(=O)c3cnc(C)cn3)C2)cc1 15074573 RFZNMWCCNBNPLG-OAHLLOKOSA-N 404.492 1.624 0 50 HDAA COCc1c(C(=O)N2CCN(C)CC2)cnn1-c1ncc2c(n1)-c1ccccc1CC2 19299756 UWJDGFURGARPQM-UHFFFAOYSA-N 418.501 1.962 0 50 HDAA COc1ccc(CN(C)Cc2nccs2)cc1OC[C@H](O)CN1CCN(C)CC1 20452165 AMACLFIJKFDWJZ-GOSISDBHSA-N 420.579 1.771 0 50 HDAA COC[C@@H](C)n1c(CCCC(=O)N2CCc3nnc(C)n3CC2)nc2cccnc21 77322722 IRDLEVFVAQALTM-OAHLLOKOSA-N 411.510 1.946 0 50 HDAA Cn1c(CCC(=O)N2CCOCC2)nc2cc(S(=O)(=O)N3CCCC3)ccc21 77354598 QATOZTPALOQPTK-UHFFFAOYSA-N 406.508 1.149 0 50 HDAA COc1cccc(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N3CCn5cccc5C3)[C@@H]4C2=O)c1 77393525 QPCCBTSLAOEHRL-JCUDRXCFSA-N 419.481 1.821 0 50 HDAA CNc1cc(C)nc(NC[C@H]2CN(CC3CCN(CC4CC4)CC3)C(=O)CO2)n1 299763153 PGTIHBPSRSCLAD-SFHVURJKSA-N 402.543 1.588 0 50 HDAA CN(C[C@@H](O)CN1CCOCC1)C(=O)c1cc(-c2ccc(Br)cc2)[nH]n1 478370296 MJMGHSVSDPMMAX-OAHLLOKOSA-N 423.311 1.604 0 50 HDAA Cc1csc([C@](O)(CC(=O)N2CCC(N3CCCNC3=O)CC2)C(F)(F)F)n1 748933922 BAHJRQMQCMCPPN-MRXNPFEDSA-N 420.457 1.998 0 50 HDAA COCc1cc(CN2CCC(CNC(=O)[C@H]3CCC(=O)NC3)CC2)ccc1OC 824477265 KEPQRBRTFFRISO-SFHVURJKSA-N 403.523 1.696 0 50 HDAA CO[C@@H]1CCC[C@@]12CCCN(S(=O)(=O)c1ccc3nc(O)n(C)c(=O)c3c1)C2 1704298100 FFSTXKPSGZKFMH-APWZRJJASA-N 407.492 1.609 0 50 HDAA Cc1nn(C)c(C)c1CN1C[C@H]2CN(C(=O)c3cnc(O)c(Cl)c3)C[C@@]2(CO)C1 1772809821 GAOSJXZXXHSYDF-MGPUTAFESA-N 419.913 1.357 0 50 HDAA O=C1CO[C@@H](CN=c2[nH]nc(C3CCC3)o2)CN1CC1CCN(CC2CC2)CC1 1857670560 UXIRQPVKWNEQCX-SFHVURJKSA-N 403.527 1.520 0 50 HDAA CCn1nc(C)c(CN2C[C@@H]3COC[C@]3(C(=O)NCCc3nccs3)C2)c1C 1857691874 ZNFJJGFCSRNGRX-OXQOHEQNSA-N 403.552 1.784 0 50 HDAA COCCN1CC[C@H](C(=O)N2CCC3(CC2)OCCc2sc(C(=O)O)cc23)C1 1857694572 RZQAEKVRNXXEBR-AWEZNQCLSA-N 408.520 1.805 0 50 HDAA CN=c1[nH]c(N2CCC3(CC2)CN(Cc2cc(C)no2)C(=O)CCO3)ncc1F 1857734136 LENPPPIVCFQYEC-UHFFFAOYSA-N 404.446 1.164 0 50 HDAA CCOCc1nnc(N2C[C@@H](C(=O)NCc3c(C)cc(C)nc3OC)CC2=O)s1 1857735404 CKPHIOVRMMFHJD-ZDUSSCGKSA-N 419.507 1.764 0 50 HDAA CCc1nc(=N)[nH]c(=N[C@H](CNC(=O)c2cccc([S@@](C)=O)c2)C2CCC2)[nH]1 1875335166 UUQFDOHXNMWGJC-WQIZZMQYSA-N 402.524 1.016 0 50 HDAA COc1ccc(F)cc1C(=O)N[C@H]1CN(C(=O)C[C@H]2CCNC2=O)CC2(CC2)C1 1875335271 ZJGYHAUSKIUSNK-UKRRQHHQSA-N 403.454 1.471 0 50 HDAA Cc1cc(C)nc(-c2cn(-c3ccc4c(c3)CN([C@@H]3CCC(=O)NC3=O)C4=O)nn2)n1 1875355210 CXEDJVVOTOBYNO-QGZVFWFLSA-N 417.429 1.102 0 50 HDAA COc1cc(C(=O)Nc2ccc(N3C[C@H](C)O[C@H](C)C3)nc2)ccc1S(N)(=O)=O 1875359586 KAXUUSFSLUHFMS-BETUJISGSA-N 420.491 1.604 0 50 HDAA O=C(N[C@@H]1CC(=O)N(CC(F)(F)F)C1)C(=O)N[C@H]1C[C@H](c2ccc(Cl)cc2)C1 2325729834 XPXMQJWUDNVBCG-MRVWCRGKSA-N 417.815 1.982 0 50 HDAA O=C1CC[C@H](N2Cc3cc(NC(=O)N4CCc5ccncc54)ccc3C2=O)C(=O)N1 2325901382 BWBQDOFTFDVSQE-INIZCTEOSA-N 405.414 1.437 0 50 HDAA CCn1cc(NC(=O)C2CCN(S(C)(=O)=O)CC2)c(C(=O)NCc2ccco2)n1 2804705 YMGHLYNYPMDYRQ-UHFFFAOYSA-N 423.495 1.036 0 50 HDAA CCOC(=O)c1ccc(N2C(=O)C[C@@H](N3CCN(C(=O)OCC)CC3)C2=O)cc1 4748513 HMLCDBUOTIWOHU-MRXNPFEDSA-N 403.435 1.269 0 50 HDAA CCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NN2CCN(C)CC2)cc1 4844863 YXMQMSHELWJDLA-UHFFFAOYSA-N 418.519 1.778 0 50 HDAA COCCC(=O)N[C@@H](C)c1nnc2n1CCN(Cc1cc(OC)ccc1OC)CC2 12042802 XXCABKZKMQPFAD-HNNXBMFYSA-N 417.510 1.567 0 50 HDAA O=C(Nc1ccccc1F)N[C@H]1C[C@H]2C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N2C1 14534105 JMFAAVCEAHCFCB-KKXDTOCCSA-N 412.421 1.363 0 50 HDAA CS(=O)(=O)c1ccc(S(=O)(=O)N2CCC(CCC(=O)NC3CC3)CC2)cc1 14976281 USRDEWPDQKHUSN-UHFFFAOYSA-N 414.549 1.550 0 50 HDAA COC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OC)[C@H]1c1cc(OC)c(OC)c(OC)c1 16448008 BQAMOHYYSCVYEY-QOIOWGMHSA-N 410.419 1.098 0 50 HDAA CSc1ccc(S(=O)(=O)NCc2ccccn2)cc1C(=O)N1CCOCC1 16649925 RCMALHATNADJGH-UHFFFAOYSA-N 407.517 1.754 0 50 HDAA Cc1ncc(C(=O)N2CCc3ccc(S(=O)(=O)NC[C@H]4CCCO4)cc3C2)cn1 77458306 RQEMNFBYXZDWCE-GOSISDBHSA-N 416.503 1.441 0 50 HDAA Cn1ccnc1CN(C(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(Cc4cccnc4)C(=O)[C@@H]13)O2)C1CC1 77517108 CGPAZGQKWGFPHX-YPIYEQTHSA-N 419.485 1.288 0 50 HDAA CC(C)(C)NC(=O)CN1CCC(N2CCC[C@@H](C(=O)NCc3ccccn3)C2)CC1 82093618 LAIFVMOPUAERPS-GOSISDBHSA-N 415.582 1.789 0 50 HDAA CN(C[C@@H]1CCCN(CCc2ccccc2F)C1)C(=O)Cn1ccc(=O)[nH]c1=O 95496672 DPMODWAXWBONKV-INIZCTEOSA-N 402.470 1.089 0 50 HDAA CCCCCNC(=O)c1ccc(CN2C(=O)NC3(CCS(=O)(=O)CC3)C2=O)cc1 169772498 CAHIPYAHMXVTBO-UHFFFAOYSA-N 421.519 1.606 0 50 HDAA CC(C)C(=O)CN1c2nc(N3CCOC[C@H]3C)cc(=O)n2CC[C@H]1C(F)(F)F 210833955 ITCIAOUZMPREOO-OCCSQVGLSA-N 402.417 1.835 0 50 HDAA in-vitro O=C(Cc1ccc(NC2=N[C@@H]3CS(=O)(=O)C[C@H]3S2)cc1)NC[C@H]1CCCO1 245245545 CYMCPQSLNSDKJU-BZUAXINKSA-N 409.533 1.205 0 50 HDAA COCc1nnc(NC(=O)CC[C@H]2N=C(O)N(CCc3cccc(F)c3)C2=O)s1 252537704 MBIPCYRRQRDQPX-CYBMUJFWSA-N 421.454 1.910 0 50 HDAA Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCN3CCCCCC3=O)CC2)cc1 825176943 XUYQDXJLTGJPOF-UHFFFAOYSA-N 407.536 1.621 0 50 HDAA Cc1ccc(CN2CCNC(=O)[C@H]2CC(=O)Nc2cccc(-n3nnnc3C)c2)o1 952973298 GQRVJXURZZHOJN-GOSISDBHSA-N 409.450 1.201 0 50 HDAA Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)CN1CCN(c2ncccn2)CC1 952983346 PCIYRFDGANPTCW-UHFFFAOYSA-N 408.506 1.782 0 50 HDAA O=C(NC1CCN(C2CCSCC2)CC1)[C@H]1CC(=O)N(Cc2ccncc2)C1 952991162 ZTTFKQDSASDRNU-KRWDZBQOSA-N 402.564 1.906 0 50 HDAA O=C1CCCN1CC(=O)N1CCO[C@@H](CN2CCC(O)CC2)[C@@H]1c1ccccc1 1857738597 PDVRFCQQLFMWJN-UGKGYDQZSA-N 401.507 1.034 0 50 HDAA Cn1cc(CN2[C@H]3CC[C@@H]2CNC(=O)c2cc(F)ccc2OCCNC(=O)C3)cn1 1857741306 MXSAQZSDIDWSQL-DLBZAZTESA-N 415.469 1.221 0 50 HDAA Cn1c(=O)c2ccc(NS(=O)(=O)c3ccc(C(=O)O)c(Cl)c3)cc2n(C)c1=O 2325776056 BUKIPYBVWTYMFV-UHFFFAOYSA-N 423.834 1.390 0 50 HDAA Cc1nscc1NC(=O)NCc1ccc2c(c1)C(=O)N([C@H]1CCC(=O)NC1=O)C2 2325887070 SPGLLCCJAMCYQN-HNNXBMFYSA-N 413.459 1.534 0 50 HDAA COc1cccc(OC)c1C(=O)O[C@@H](C(=O)OCc1ccccc1)[C@@H](O)C(=O)O 5721063 QREWVSISTJLCLC-IAGOWNOFSA-N 404.371 1.418 0 50 HDAA CCS(=O)(=O)c1ncc(CN2CCC(O)(c3ccccc3)CC2)n1CCOC 11936007 PYKZPYFNZQWJPC-UHFFFAOYSA-N 407.536 1.807 0 50 HDAA COC(=O)C1CCN(Cc2ccc(OC[C@@H](O)CN3CCOCC3)c(OC)c2)CC1 12386170 MSXXFLNVSAXKAF-IBGZPJMESA-N 422.522 1.152 0 50 HDAA COc1cc2c(cc1OC)CN([C@@H]1CCCN(C(=O)Cc3nonc3C)C1)CC2 14974244 QSIZCNPJTDPCBB-QGZVFWFLSA-N 400.479 1.987 0 50 HDAA CC(=O)N1CCCN(Cc2cnc(S(=O)(=O)CC3CC3)n2C[C@H]2CCCO2)CC1 20295130 KTUUOYCURBCXDP-LJQANCHMSA-N 424.567 1.300 0 50 HDAA CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)N1CSC[C@H]1C(=O)N1CCCC1)C(=O)C2 252510571 AFGLGKUSLSALOZ-SUNYJGFJSA-N 400.566 1.709 0 50 HDAA O=C([C@@H]1CCCCN1C(=O)c1ccc(O)nn1)N1CCCN2c3ccccc3C[C@H]2C1 427029625 JVXDFPXLMSLWOF-PXNSSMCTSA-N 421.501 1.841 0 50 HDAA O=C(c1ccc2n[nH]cc2c1)N1CCC[C@H](C(=O)N2CCO[C@H](c3ncon3)C2)C1 474228195 FUUBVPSRFIURLL-YOEHRIQHSA-N 410.434 1.398 0 50 HDAA Cc1ccc(C(=O)N[C@H](C(=O)N[C@H]2CCN([C@H](C(=O)O)C(C)C)C2=O)C(C)C)cc1 479006049 JMFDFUWGNWQBKV-BZSNNMDCSA-N 417.506 1.576 0 50 HDAA Cn1cc(C(=O)N2CCN(c3ccnc4cc(Cl)ccc34)CC2)c(=O)n(C)c1=O 1195530035 AKNVAMZCSZONBR-UHFFFAOYSA-N 413.865 1.248 0 50 HDAA COCCCn1cnnc1CN1C(=O)C[C@H]2[C@@H]1CCN2C(=O)/C=C/c1ccccc1 1857683148 DICOWIQURZFIDS-VANUVFSVSA-N 409.490 1.730 0 50 HDAA COCC1(C(=O)N2CCC3(CCc4c(O)nc(N5CCOCC5)nc43)CC2)CCC1 1857713337 VOPKVSWYDOSYIR-UHFFFAOYSA-N 416.522 1.642 0 50 HDAA C[C@H]1CN(C(=O)C(=O)N2CCN(c3ccncc3)[C@H](C)C2)CCN1c1ccncc1 2325770406 TZZOCGKJWYUEHL-HDICACEKSA-N 408.506 1.251 0 50 HDAA COC(=O)[C@@H](Cc1cnn(C)c1C)NC(=O)C[C@H]1C(=O)Nc2ccc(Cl)cc21 2325851370 YDMAYMMDZLCWOV-GDBMZVCRSA-N 404.854 1.708 0 50 HDAA COCCCn1c(C(=O)NCCCn2ccnc2)cc2c(=O)n3ccccc3nc21 5207199 NDVKOHBIHXYCFV-UHFFFAOYSA-N 408.462 1.702 0 50 HDAA CC(C)(C)CN1CCNC(=O)[C@@H]1CC(=O)NCc1ccc(N2CCCC2=O)cc1 11874268 MUDPCXUYDPPLRU-SFHVURJKSA-N 400.523 1.666 0 50 HDAA CCOc1ccc(CN2CCNC(=O)[C@H]2CC(=O)N(C)Cc2nnc(C)o2)cc1 20639660 GULIYTIOHSHKOO-QGZVFWFLSA-N 401.467 1.126 0 50 HDAA Cc1cc(N2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)nc(N2CCOCC2)n1 49028105 ORTSZTVDKPPJAF-UHFFFAOYSA-N 420.517 1.994 0 50 HDAA C[C@@H](NC(=O)C[C@@H]1NC(=O)N(CCc2ccccc2)C1=O)c1nnc2ccccn12 223230116 QKGLSKHMTLLIGA-ZBFHGGJFSA-N 406.446 1.460 0 50 HDAA O=C(C[C@@H]1N=C(O)N(c2ccccc2)C1=O)NC1CCN(Cc2cccnc2)CC1 252508970 XZRPMPUXCFSPDR-IBGZPJMESA-N 407.474 1.882 0 50 HDAA Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1NC(=O)Cn1cnc2ccccc2c1=O 1529101658 JUHGCKOTYKFQFP-CQSZACIVSA-N 415.475 1.208 0 50 HDAA CCOCCC(=O)N1CCC[C@@]2(C(=O)NCc3cccnc3N)CCN(C)C[C@H]12 1775979204 IXEPTJMBNHGJBU-LAUBAEHRSA-N 403.527 1.020 0 50 HDAA COC[C@@H]1CCCN1S(=O)(=O)N1CCCN(C(=O)C2C(C)(C)C2(C)C)CC1 1800414383 QGBIZZUDZLFCJX-HNNXBMFYSA-N 401.573 1.559 0 50 HDAA C=CC(=O)NCCC(=O)NC[C@H]1CCCCN1C(=O)[C@H]1COc2ccccc2O1 1875385762 BAZXTUCWAIBYCD-CRAIPNDOSA-N 401.463 1.016 0 50 HDAA CC1=NN(C(=O)c2nn(C)cc2I)[C@@](O)(C(F)(F)F)C1 694516 WTHOSPYNAYYAIJ-VIFPVBQESA-N 402.114 1.497 0 50 HDAA O=S(=O)(Cc1nc2ccccc2[nH]1)CS(=O)(=O)Cc1nc2ccccc2[nH]1 1278616 ZCCMLPQYTBCTMI-UHFFFAOYSA-N 404.473 1.927 0 50 HDAA CS(=O)(=O)N1CCC(C(=O)Nc2ncn(Cc3c(F)cccc3Cl)n2)CC1 2804840 RICNLZXPHYWNLV-UHFFFAOYSA-N 415.878 1.729 0 50 HDAA CN1CCN(S(=O)(=O)c2ccc(NC(=O)[C@H]3CC=CC[C@H]3C(=O)O)cc2)CC1 4801831 OZFLFESHOSDAAE-DLBZAZTESA-N 407.492 1.228 0 50 HDAA Cc1ccccc1CN1CCNC(=O)[C@@H]1CC(=O)NCc1cn2cccc(C)c2n1 12445416 FMBHRXZKSIJKKU-FQEVSTJZSA-N 405.502 1.958 0 50 HDAA CCOC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OCC)[C@H]1c1ccc(OC)c(OC)c1 13577226 SSFQCYJOBBZRIP-NYUBLWNDSA-N 408.447 1.870 0 50 HDAA CSc1ccc(C[C@]2(CCC(=O)NCCN3CCOCC3)CCC(=O)N2)cc1 14959276 XIEQXAGELVXKNY-NRFANRHFSA-N 405.564 1.828 0 50 HDAA COc1ccccc1C[C@@H](C)N1CCN(CCn2cc(C(=O)NC(C)C)nn2)CC1 19866498 HSSOHTWBQNWZAT-GOSISDBHSA-N 414.554 1.674 0 50 HDAA COC(=O)CC[C@H]1CN(Cc2cc(OC)c3c(c2)OCO3)CC[C@H]1N1CCOCC1 20599740 DZGVPUVVYCGGML-ZWKOTPCHSA-N 420.506 1.900 0 50 HDAA COCCN1CCN(Cc2cnc(S(=O)(=O)C(C)C)n2CCC(C)C)CC1 22913962 SIIQNJFKNFWSHK-UHFFFAOYSA-N 400.589 1.875 0 50 HDAA COc1ccccc1CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 35804715 XYNFOSMMLARMDH-UHFFFAOYSA-N 403.504 1.813 0 50 HDAA COCCN(C)CCN1CC2(CCN(C(=O)CN3CCCCCC3)CC2)OC1=O 77380038 UCOHDKAUFUAKRC-UHFFFAOYSA-N 410.559 1.254 0 50 HDAA Cc1nc(-c2c3n(c(=O)n(CC(=O)Nc4cccc(F)c4)c2=O)CCCCC3)no1 169764024 BBLMHROBRSYPEY-UHFFFAOYSA-N 413.409 1.873 0 50 HDAA CC(C)(C)c1n[nH]cc1CN1CCC[C@@H](n2ncc(N3CCOCC3)cc2=O)C1 328607735 WWAJTYOBAGLLEN-QGZVFWFLSA-N 400.527 1.938 0 50 HDAA O=C(Nc1cccc(S(=O)(=O)N2C[C@@H]3C[C@H]4C[C@H]3[C@H]2[C@H]4O)c1)c1cnccn1 408521589 ZSDCQBORCUMDAR-QBXRVLTGSA-N 400.460 1.119 0 50 HDAA Cc1ccn(C[C@@](C)(O)C(=O)N2CCC(n3ccc(C(F)(F)F)n3)CC2)c(=O)c1 468425215 HVEUYNYJBNOFQQ-GOSISDBHSA-N 412.412 1.987 0 50 HDAA CSCC(=O)N[C@]1(C)CCOC2(CCN(Cc3ccnc(C(C)C)n3)CC2)[C@H]1O 1772701117 HXWDKBCKJVGGFG-VQTJNVASSA-N 422.595 1.954 0 50 HDAA O=C(C1CCOCC1)N1C[C@@H]2CN(CCCOCc3ccccc3)C[C@]2(CO)C1 1772709449 KJFIFDVCAVEBRN-JTHBVZDNSA-N 402.535 1.773 0 50 HDAA CN1CCC[C@@]2(C(=O)N3CCOCC3)CCN(C(=O)c3ccc(F)c(F)c3)C[C@H]12 1772810575 MYBUDTXKSQORMD-GHTZIAJQSA-N 407.461 1.750 0 50 HDAA Cc1nc(CN2CC[C@@]3(C2)CN(C(=O)COc2cccc(C)c2C)CCO3)no1 1857683518 HXSQMSLEZMUHRN-OAQYLSRUSA-N 400.479 1.877 0 50 HDAA COc1ccccc1-n1cc(C(=O)N2CCO[C@@]3(CCN(c4ncccn4)C3)C2)cn1 1857690052 UBBYHDFXHXUSQL-QFIPXVFZSA-N 420.473 1.792 0 50 HDAA CCOC(=O)[C@@]12CC[C@H](N3CCOCC3)C[C@H]1CCN(c1nc(CO)cs1)C2 1857690454 DKCUXKTYNAFRMS-OXFYSEKESA-N 409.552 1.896 0 50 HDAA O=C(CN1CCOc2ccccc2C1)N1CCO[C@]2(CCN(Cc3cnc[nH]3)C2)C1 1857706132 BAIXQFVUXJYYOZ-QFIPXVFZSA-N 411.506 1.108 0 50 HDAA O=C(Cn1cnnn1)N1[C@H]2CC[C@@H]1C[C@]1(C2)CN(c2ccc(Cl)cn2)CCO1 1857715275 JUDNZZKRQBQGBH-HWWDLCQESA-N 403.874 1.151 0 50 HDAA O=C(c1ccc(Cn2cnnn2)cc1)N1CCO[C@@H](CO)[C@@H]1c1ccccc1Cl 1857726052 UZLHBRISROMGED-OALUTQOASA-N 413.865 1.949 0 50 HDAA O=C(CCc1nc(-c2ccccc2F)no1)N1CC[C@@]23OCCCN2C(=O)C[C@@H]13 1857729057 SRWWVWSQZTXGND-QRWLVFNGSA-N 400.410 1.758 0 50 HDAA CCCS(=O)(=O)N1CCC(NS(=O)(=O)c2ccc3scnc3c2)CC1 1875313812 VTSCMYRZASAGDO-UHFFFAOYSA-N 403.551 1.779 0 50 HDAA CN1CCN(C(=O)N2CCN(C(=O)/C=C/c3ccc(-n4ccnc4)cc3)CC2)CC1 1875328367 OCLHJGSRIWYXRD-QPJJXVBHSA-N 408.506 1.397 0 50 HDAA O=C(O)C[C@@H](Cc1cn(-c2ccc3[nH]ccc3c2)nn1)NC(=O)[C@@H]1CCCCNC1=O 1875357013 XZSNHMNKPKOQBL-RHSMWYFYSA-N 424.461 1.167 0 50 HDAA C=CC(=O)N1CCC[C@@H](C(=O)N2CCC(c3cccc(S(N)(=O)=O)c3)CC2)C1 1875371624 HJUQGNWEFFUQBI-QGZVFWFLSA-N 405.520 1.465 0 50 HDAA O=C([C@H]1OCC(=O)N(C2CC2)[C@@H]1c1cccnc1)N1CCC(c2ccncn2)CC1 2100537950 YKYXVCGHDZZWRS-RTWAWAEBSA-N 407.474 1.709 0 50 HDAA CCOc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)N2CCC(COC)CC2)cc1 12431774 ASIFTJCFZFGGEN-FQEVSTJZSA-N 403.523 1.661 0 50 HDAA CN(CCn1cc(C(=O)N2CCSCC2)nn1)Cc1cc2c(cc1Cl)OCO2 14961130 MBGWJYGAQPSNGR-UHFFFAOYSA-N 423.926 1.981 0 50 HDAA COc1cccc(CN2CCN(CCn3cc(C(=O)NC(C)C)nn3)CC2)c1OC 23362652 JMOFTWWCAUJACB-UHFFFAOYSA-N 416.526 1.251 0 50 HDAA Cc1ccc(CCN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N(C)Cc3cnn(C)c3)[C@@H]4C2=O)cc1 77540719 YZJPAQSGIAYMMG-JCUDRXCFSA-N 420.513 1.712 0 50 HDAA COCCn1c(S[C@H]2CCC(=O)NC2=O)nc2sc3c(c2c1=O)CCCC3 170596274 XKXWGDXNANBFLL-LBPRGKRZSA-N 407.517 1.881 0 50 HDAA O=C(O)[C@@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 239439025 ZITMHXHZSJKQLC-WRFANHODSA-N 408.476 1.393 0 50 HDAA O=C(NC[C@@H]1CN(CC2CCN(CC3CC3)CC2)C(=O)CO1)c1ccc(O)cc1 299791541 GOPAOQOGDLWTLZ-HXUWFJFHSA-N 401.507 1.471 0 50 HDAA Cc1nc2c(c(O)nn2C)c(C)c1CC(=O)Nc1ccc2c(c1)S(=O)(=O)CC2 478402605 UUWNLCSSFXYJBX-UHFFFAOYSA-N 400.460 1.802 0 50 HDAA COc1ccc(C(=O)N[C@@H]2C3CN4CCN(C3)CC2(c2ccccc2)C4)c(OC)n1 670457996 KFBRSMDGIIQPAJ-VRVFXRSRSA-N 408.502 1.396 0 50 HDAA C[C@](O)(C(=O)NC[C@@H](O)COc1ccc2c(c1)CCC(=O)N2)c1ccc(Cl)cc1 815807844 VSYXYUXQNBMXKM-IIBYNOLFSA-N 418.877 1.988 0 50 HDAA O=C(Nc1ccc(OCC(=O)N2CCOCC2)cc1)c1cn(-c2ccccc2)nn1 952873094 GDFVUEFOKXTERI-UHFFFAOYSA-N 407.430 1.757 0 50 HDAA CN1C[C@@H](NC(=O)c2ccccc2N2CCOCC2)c2sccc2S1(=O)=O 952984971 PGBUJSMEKSLAOT-CQSZACIVSA-N 407.517 1.690 0 50 HDAA C[C@H](O)CNS(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)CC(=O)N3C)cc1 1336458162 VKGCXJZFLITBHP-LBPRGKRZSA-N 403.460 1.117 0 50 HDAA COCCN1C[C@H](C(=O)N2CCC3(CC2)OCCc2cc(OC)ccc23)CCC1=O 1704338638 WROZBRCPGZACHO-GOSISDBHSA-N 416.518 1.971 0 50 HDAA CN(Cc1ccccc1)S(=O)(=O)N1CC[C@H]2[C@@H]1CC(=O)N2Cc1cccnc1 1857683666 YWKDORARQCRZMD-OALUTQOASA-N 400.504 1.634 0 50 HDAA Cc1nc(N2CCOCC2)sc1C(=O)N1CCC([C@@H](O)c2nccn2C)CC1 1857709233 LYXGAQPCNHGHTA-OAHLLOKOSA-N 405.524 1.607 0 50 HDAA CCn1cc(C(=O)N2CCSCC2)c(=O)c2cc(F)c(N3CCNCC3)cc21 2325726627 XOVRWFZUKHMSSF-UHFFFAOYSA-N 404.511 1.759 0 50 HDAA COc1ccc([C@@H](CC(=O)O)NS(=O)(=O)c2ccc3c(c2)NC(=O)CO3)cc1 4520605 ZDAYNBZMJXGVQW-CQSZACIVSA-N 406.416 1.520 0 50 HDAA O=C(COc1ccc(S(=O)(=O)NCCc2ccccc2)cc1)NC[C@H]1CCCO1 4978182 GSNLZPRFXYLVSW-LJQANCHMSA-N 418.515 1.882 0 50 HDAA Cc1ccc(C(=O)N[C@H]2C[C@H]3C(=O)N[C@H](Cc4ccc(O)cc4)C(=O)N3C2)cc1F 14535763 RTXSNZVZGLJINQ-IPELMVKDSA-N 411.433 1.280 0 50 HDAA CC(C)[C@@H]1NC(=O)[C@H]2CN(S(=O)(=O)c3ccc4ccccc4c3)CCN2C1=O 14539569 WDWYCESJGPHXRK-MSOLQXFVSA-N 401.488 1.196 0 50 HDAA CN(Cc1ccc(C(=O)NCc2ccccc2Cl)c(=O)[nH]1)C[C@@H]1COCCO1 15001474 UZGBAAAWCSDUKL-MRXNPFEDSA-N 405.882 1.806 0 50 HDAA Cc1cc(CNC(=O)C[C@@H]2C(=O)NCCN2Cc2cccc(C(F)(F)F)c2)nn1C 55054038 BHHMFBZRVYXCHD-QGZVFWFLSA-N 423.439 1.754 0 50 HDAA C[C@H](O)CCNS(=O)(=O)c1ccc2c(c1)CN(C(=O)c1ccccc1O)CC2 77407596 WPOGNFOZFZCXHH-AWEZNQCLSA-N 404.488 1.640 0 50 HDAA CC(C)N1CCN(CCCN2CC3(CCN(c4ccnc(N)n4)CC3)OC2=O)CC1 77428513 FSIHISYSZFMSNO-UHFFFAOYSA-N 417.558 1.266 0 50 HDAA Cc1ncc(C(=O)N2CCc3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3C2)cn1 77458301 RQEMNFBYXZDWCE-SFHVURJKSA-N 416.503 1.441 0 50 HDAA CCN1CCN(C(=O)[C@H]2[C@@H]3C=C[C@@]4(CN(C5CCCCCC5)C(=O)[C@@H]24)O3)CC1=O 77505041 PEORKYMLNHPCAO-UYZIEWPDSA-N 401.507 1.182 0 50 HDAA CN(C)C(=O)CNC(=O)[C@H]1CCCN(C2CCN(CCc3ccccc3)CC2)C1 82157636 ZAZBQUHQQUMJMB-FQEVSTJZSA-N 400.567 1.610 0 50 HDAA COc1ccc(N2C(=O)N[C@H](CC(=O)N3CC[C@@]4(O)CCCC[C@@H]4C3)C2=O)cc1 409415184 WHFFAVWPRCHMJC-ZVGUJKQYSA-N 401.463 1.664 0 50 HDAA Cc1ccccc1SC1CCN(C(=O)c2cc3n(n2)C[C@@H](O)CNC3=O)CC1 426410402 BDPQXWJQZSCZML-AWEZNQCLSA-N 400.504 1.693 0 50 HDAA O=C([C@@H]1CC(c2cccc(Cl)c2F)=NO1)N1CC[C@@H]2CS(=O)(=O)C[C@H]2C1 1471723078 LYRFKNXCCQSUTK-HFAKWTLXSA-N 400.859 1.865 0 50 HDAA Cc1cc(C(=O)N2CCCN(Cc3cc(=O)n4cc(Cl)ccc4n3)CC2)no1 1772700808 HQGGXLFYAXHCHZ-UHFFFAOYSA-N 401.854 1.992 0 50 HDAA CSCC(=O)N1C[C@H]2CN(C(=O)Cc3cccc(F)c3)C[C@@]2(CCC(=O)O)C1 1772807677 RFYNDPRJTMWVQV-QRWLVFNGSA-N 408.495 1.883 0 50 HDAA COc1cc(O)c(Cl)c2c1C(=O)O[C@H](C)CC[C@@]1(O)CC[C@@H](O)[C@@H](O1)C(=O)C2 2332925071 RULRWFRHJIEKGR-DDSUJGCRSA-N 414.838 1.733 0 50 HDAA CCc1ccc(C(=O)COC(=O)CNC(=O)CNS(=O)(=O)c2ccccc2)cc1 2751222 FAMOETOCPDXYGC-UHFFFAOYSA-N 418.471 1.070 0 50 HDAA COc1ccc(CNCCSc2cn[nH]n2)cc1OC[C@@H](O)CN1CCCC1 11664405 SJXJMBUSTPVUAE-INIZCTEOSA-N 407.540 1.531 0 50 HDAA O=C(NCCc1nnc2n1CCN(Cc1ccc3c(c1)CCO3)CC2)c1ccco1 12028520 WFMGINFTTYEKCZ-UHFFFAOYSA-N 407.474 1.837 0 50 HDAA CCOc1ccc(CN2CCC(n3cc(C(=O)NCCN(C)C)nn3)CC2)cc1 12207427 FQMNEMMSQNADLL-UHFFFAOYSA-N 400.527 1.805 0 50 HDAA Cc1ccc(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N(C)Cc3cnn(C)c3)[C@@H]4C2=O)cc1C 77378959 JFRPNKQQBAAFHQ-BLRYILKCSA-N 420.513 1.978 0 50 HDAA Cc1ccc(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N3CCCN(C)CC3)[C@@H]4C2=O)cc1C 77518310 REVWQCQJVKMNKM-JCUDRXCFSA-N 409.530 1.750 0 50 HDAA COc1ccc(CCN2CCC[C@H](CN(C)C(=O)c3c[nH]c(=O)[nH]c3=O)C2)cc1 95507680 DVADSUCRSWUDDE-MRXNPFEDSA-N 400.479 1.099 0 50 HDAA O=C(N[C@@H]1CCO[C@@]2(CCOC2)C1)[C@H]1CCCCN1S(=O)(=O)c1ccccc1 225299841 AGMHZHSNCNMPCM-POAQFYNOSA-N 408.520 1.684 0 50 HDAA CCNC(=O)N1[C@H](CC(=O)Nc2ccc3c(c2)OCCO3)C(=O)N[C@@H]2CCCC[C@H]21 238997208 AAUFRHWSDCBPLA-BZUAXINKSA-N 416.478 1.628 0 50 HDAA Cc1cc([C@@H](C(=O)O)N2CCCN(S(=O)(=O)N3CCCCC3)CC2)ccc1F 1529158780 LLVGFJGPFXSXIJ-SFHVURJKSA-N 413.515 1.998 0 50 HDAA CN(C)c1ncc(CN2C[C@@H]3[C@H](CN4CCC(CO)CC4)[C@H]4CC[C@]3(C2)O4)cn1 1704315447 FAWLKMLGEHQJLE-GPQLQYNLSA-N 401.555 1.226 0 50 HDAA COc1cc(S(=O)(=O)N2CCC(CO)(CN(C)C)CC2)c(OC)cc1Cl 1772704842 ICAVWYZCISWDNB-UHFFFAOYSA-N 406.932 1.682 0 50 HDAA COC(=O)[C@H]1C[C@H]2CN(C(=O)Cc3cccc(O)c3)CC(=O)N2[C@H]1c1ccccc1 1857670423 MXIHZIFHAZRYKZ-JLMWRMLUSA-N 408.454 1.908 0 50 HDAA COCCn1nnc([C@H]2CN(C3CCN(c4ccc(F)c(F)c4)CC3)CCO2)n1 1857717831 AJMXJYAUJMHSPL-GOSISDBHSA-N 408.453 1.640 0 50 HDAA COc1ccc(-n2cccn2)cc1S(=O)(=O)N[C@@H]1C[C@H]2CO[C@@H](C3CC3)CN2C1 1857735472 PGHYXAYMKIIDFX-HHXXYDBFSA-N 418.519 1.411 0 50 HDAA COCCN(C)C[C@@H](O)C1CCN(C(=O)c2cnn(Cc3ccccc3)c2)CC1 1857736226 FZWPKRRYBQSNRF-OAQYLSRUSA-N 400.523 1.723 0 50 HDAA CN1C(=O)CCCN(Cc2ccccn2)CCCNC(=O)c2nn(C)c3c2C[C@H]1CC3 1875240728 GZUVZHRWGVRMSN-GOSISDBHSA-N 424.549 1.547 0 50 HDAA CC(C)n1ncc(C(=O)N2CCN(C(=O)[C@@H]3OC[C@@H]4COCC[C@@H]43)[C@H](C)C2)c1Cl 2325838954 DNKXCFCWLACVFB-WBTNSWJXSA-N 424.929 1.842 0 50 HDAA CCC/C=C/[C@@H](O)C(=O)N(C)[C@H]1[C@@H]2CN(C(=O)c3ccn(-c4cccnc4)n3)C[C@@H]21 2325872344 SULJCMDRZZZPJN-FZIDPHJESA-N 409.490 1.513 0 50 HDAA Cc1ccc(C(=O)NC(=S)N2CCNC(=O)C2)cc1I 2887769 JATRFGWFNKXHHO-UHFFFAOYSA-N 403.245 1.046 0 50 HDAA O=C(N[C@H](C(=O)O)c1ccccc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 3866374 MTCIQFSSWMOBQI-KRWDZBQOSA-N 404.444 1.263 0 50 HDAA Nc1nc2ncc(CN(C(=O)C(F)(F)F)c3ccc(C(=O)O)cc3)nc2c(=O)[nH]1 6565581 IJGIHDXKYQLIMA-UHFFFAOYSA-N 408.296 1.089 0 50 HDAA COCCN1C(=O)C[C@](CC(=O)N2CCC[C@H](OC)C2)(c2ccccc2OC)C1=O 11971108 POSOAJKILKXAEI-KSFYIVLOSA-N 418.490 1.366 0 50 HDAA CCN(CC)C[C@H](O)COc1ccc(CNCCCN2CCCC2=O)cc1OC 12701672 HFTLXCBDSGGUAF-IBGZPJMESA-N 407.555 1.879 0 50 HDAA O=C1CN(C(=O)C2CCN(C3CCN(c4nc5ccccc5o4)CC3)CC2)CCN1 15075804 FAUUCLXODHAVSH-UHFFFAOYSA-N 411.506 1.467 0 50 HDAA Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccccc3)CC2)n1 17012905 SNNLQHRWUMKUCU-UHFFFAOYSA-N 416.551 1.048 0 50 HDAA COc1ccc(CN2CCC(OC)CC2)cc1OC[C@@H](O)CN1CCCN(C)CC1 20166129 OEWAPGSUMAJJRT-FQEVSTJZSA-N 421.582 1.683 0 50 HDAA COC(=O)CCC(=O)N1CCC[C@@H](N2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 23373272 ITYVOAHIZZRFBM-GOSISDBHSA-N 417.506 1.477 0 50 HDAA Cc1ccc(CNS(=O)(=O)c2ccc3c(c2)CN(C(=O)[C@@H](O)C(C)C)CC3)o1 77406157 VFIAPOOEOXQKDK-IBGZPJMESA-N 406.504 1.968 0 50 HDAA CC[S@](=O)[C@@H]1CCCC[C@H]1NC(=O)c1ccc(OC)c(S(=O)(=O)N(C)C)c1 225246632 FHXDNQGJYFWEMF-UZPXWBGZSA-N 416.565 1.755 0 50 HDAA Cc1nc2c3c(F)cccc3nn2c(O)c1CCC(=O)N[C@@H]1CCS(=O)(=O)C1 252498810 RLZCDBHHZVHTMO-LLVKDONJSA-N 406.439 1.272 0 50 HDAA Cc1cn2nnc(C(=O)N3CCC(C(=O)NCCCc4ccccc4)CC3)c2c(O)n1 263619537 ZDFRQMFUHHGSHN-UHFFFAOYSA-N 422.489 1.740 0 50 HDAA C[C@@H](NC(=O)C(C)(C)C)C(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H]2CO)cc1 390832788 QEAFEYWQQZOWNC-UKRRQHHQSA-N 411.524 1.321 0 50 HDAA CC(C)C(=O)N1CCn2nc(CNS(=O)(=O)c3ccc4nc[nH]c4c3)cc2C1 426656941 KYUIPVDMJLETLF-UHFFFAOYSA-N 402.480 1.236 0 50 HDAA O=C([C@@H]1CC(c2cccc(Cl)c2F)=NO1)N1CC[C@H]2CS(=O)(=O)C[C@H]2C1 1471723082 LYRFKNXCCQSUTK-RWSFTLGLSA-N 400.859 1.865 0 50 HDAA CC(C)c1nc(CN2C[C@H]3CN(C(=O)Cn4cccn4)C[C@@]3(CN(C)C)C2)co1 1775979407 HTDZABYCNUOUIJ-LAUBAEHRSA-N 400.527 1.517 0 50 HDAA Cc1cc(C)n(-c2ccc(F)cc2-c2nccn2[C@H]2C[C@H]3C(=O)NCC(=O)N3C2)n1 1857731995 XGQLQANXUBTFSP-YJBOKZPZSA-N 408.437 1.764 0 50 HDAA Cn1cc(-c2nc([C@@H]3COCCN3S(=O)(=O)Cc3cc(C4CC4)on3)no2)cn1 1875345581 BZSBPOBHGBMHGI-AWEZNQCLSA-N 420.451 1.239 0 50 HDAA CC(C)c1nc(O)ccc1C(=O)N1CCCN(S(=O)(=O)N2CCCCC2)CC1 2100539780 YFPNMPXBCLXYDL-UHFFFAOYSA-N 410.540 1.789 0 50 HDAA Cn1ccc(CC(=O)N2CCC(N3CCC(C(=O)N4CCOCC4)CC3)CC2)c1 12298857 CWSMXYDYVPUDSN-UHFFFAOYSA-N 402.539 1.129 0 50 HDAA O=C([C@H]1CC(=O)N(c2ccccc2)C1)N1CCN(S(=O)(=O)c2cccs2)CC1 20739876 QLBDINPYRZMLFY-HNNXBMFYSA-N 419.528 1.634 0 50 HDAA CCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)C1 65362503 YJMNSMIGQVYRJR-OAHLLOKOSA-N 406.508 1.485 0 50 HDAA Cc1cc(C)n(-c2cc(N3CCN(S(=O)(=O)c4cccnc4)CC3)nc(C)n2)n1 67621955 CVDSSSYLVZYVRY-UHFFFAOYSA-N 413.507 1.493 0 50 HDAA O=C(Cc1cccnc1)N1CCC(N2CCC[C@H](C(=O)N3CCOCC3)C2)CC1 71639424 MGSUCTFTOLEQSV-IBGZPJMESA-N 400.523 1.186 0 50 HDAA O=C(c1cnc2n(c1=O)CCS2)N1CCN(c2cc(C(F)(F)F)ccn2)CC1 170600518 XMABTHZTEPNCMO-UHFFFAOYSA-N 411.409 1.725 0 50 HDAA C[C@@H](CNC(=O)c1ccc(S(=O)(=O)NCc2cccs2)cc1)c1nncn1C 170607767 HTKQTJHQISHRPO-ZDUSSCGKSA-N 419.532 1.889 0 50 HDAA C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)N[C@@](C)(C(=O)O)C3CC3)c2)C[C@@H](C)O1 222164359 HVERKECGXIJZEN-QHRIQVFBSA-N 410.492 1.468 0 50 HDAA CCN1CCN(c2ccc(F)cc2[C@@H](C)NC[C@@H]2CCN(S(C)(=O)=O)C2)CC1 225771663 DQVISVZOCKKQRM-SJORKVTESA-N 412.575 1.900 0 50 HDAA CNC(=O)[C@@H]1CN(C(=O)CN2C(=O)N[C@]3(CCCC[C@H]3C)C2=O)c2ccccc2O1 239306036 GIJICFKHLYJCJF-QTPGKHNVSA-N 414.462 1.027 0 50 HDAA COc1cccc(C(=O)COC(=O)[C@H](C)N2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]5C[C@H]54)[C@H]3C2=O)c1 239433110 XFJYMHJSTYWZOL-SACJBBJSSA-N 409.438 1.863 0 50 HDAA C[C@H](C(=O)O)N1C(=O)[C@H]2[C@@H]3C[C@H]([C@H]2C1=O)[C@@H]1[C@@H]3N1c1ccc(Br)cc1 244873613 WSZGIAKPYDEOHT-RSZZBBBQSA-N 405.248 1.730 0 50 HDAA O=C1[C@H]2[C@@H]3C=C[C@@H]([C@@H]4C(=O)N(c5nccs5)C(=O)[C@H]34)[C@H]2C(=O)N1c1nccs1 244933340 CMPOSIGUSGELIZ-SQJYRNMJSA-N 412.452 1.327 0 50 HDAA CCCCN1C(=O)[C@@H]2[C@H](CCC(=O)O)N[C@@]3(C(=O)Nc4c(CC)cccc43)[C@H]2C1=O 252008974 QUGPOYXXQXXDKD-KXXRBXEXSA-N 413.474 1.634 0 50 HDAA O=C(N[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1)[C@@H]1CCCO1 481571939 OYXVUCCGRLYLKP-HIFRSBDPSA-N 417.325 1.897 0 50 HDAA COc1ccc(C(=O)N[C@H]2C3CN4CCN(C3)CC2(c2ccccc2)C4)c(OC)n1 670457995 KFBRSMDGIIQPAJ-UKAYHFCDSA-N 408.502 1.396 0 50 HDAA COc1ccc(S(=O)(=O)NCC[C@H]2CCC(=O)N2CCN(C)C)cc1Cl 1506415346 WXPSQWNGDJATGK-CYBMUJFWSA-N 403.932 1.570 0 50 HDAA CCOc1ccc2nc(N3C[C@H](C(=O)NC4(C(N)=O)CCCC4)CC3=O)sc2c1 1857730067 XTMPYLDHGRFWFH-GFCCVEGCSA-N 416.503 1.962 0 50 HDAA Cc1ccc(S(=O)(=O)NCCCNC(=O)CCC[C@@H]2NC[C@@H]3CNC[C@H]2C3)cc1 2100482577 JSIDOAVSDNZJSO-NSHGMRRFSA-N 422.595 1.147 0 50 HDAA CN(C)C(=O)[C@H](NC(=O)Cc1csc(N2CCCNC2=O)n1)c1ccccc1 2325703687 BWVMCLSINKHBRC-MRXNPFEDSA-N 401.492 1.551 0 50 HDAA COc1cc2c(cc1OC)C1(CCN(C(=O)[C@@H]3CCn4ncnc4C3)CC1)OCC2 2356152814 BMCCENPAWVQRQV-MRXNPFEDSA-N 412.490 1.948 0 50 HDAA O=C(O)[C@@H](NS(=O)(=O)c1ccc(Br)cc1)[C@H](O)c1ccccc1 5009973 QIFVJBIKOKRULH-UONOGXRCSA-N 400.250 1.914 0 50 HDAA COCCNC(=O)c1cn(C2CCN(C(=O)CCc3c[nH]c4ccccc34)CC2)nn1 12158215 LMORNDAEJUNNKT-UHFFFAOYSA-N 424.505 1.932 0 50 HDAA COC(=O)c1cc(C)nc2c1c(=O)n(CC(=O)Nc1c(C)cccc1C)c(=O)n2C 12462934 KUEGXPKYRDMLIX-UHFFFAOYSA-N 410.430 1.446 0 50 HDAA COc1ccc(C(=O)N[C@H]2CCS(=O)(=O)C2)cc1OC1CCN(C(C)C)CC1 12835947 PSXHEZPNHRAKAG-INIZCTEOSA-N 410.536 1.864 0 50 HDAA O=S(=O)(c1cccc(Cl)c1)N1CCN(c2ccc(-n3cccn3)nn2)CC1 13009269 ZIYWUUNKOJLKOI-UHFFFAOYSA-N 404.883 1.827 0 50 HDAA O=C(c1ccc[n+]([O-])c1)N1CC(=O)N(C2CCCCC2)C[C@H](OCc2ccccn2)C1 14543285 NYDHXAGLHWNHSF-OAQYLSRUSA-N 424.501 1.918 0 50 HDAA COc1ccc(OC[C@@H](O)CN2CCC(O)CC2)c(CNCCCn2cccn2)c1 14951798 XCGCGXHUUSWROS-FQEVSTJZSA-N 418.538 1.268 0 50 HDAA O=C(CCCn1nnnc1CN1CCOCC1)N1CCCC[C@H]1CCN1CCCC1 15077552 SJUQCYWKJCUKSM-IBGZPJMESA-N 419.574 1.153 0 50 HDAA COc1ccccc1N1CCN(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 55345584 PRSWWQBYBBHHAI-UHFFFAOYSA-N 404.492 1.103 0 50 HDAA COc1cccc(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N(C)Cc3noc(C)n3)[C@@H]4C2=O)c1 77320878 IWIZCLWANGMWEL-VGYLUTEMSA-N 424.457 1.327 0 50 HDAA CCn1cnnc1CN(C)C(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(Cc4cccc(C)c4)C(=O)[C@@H]13)O2 77375336 BNIXTYQVFBNZCG-YPIYEQTHSA-N 421.501 1.547 0 50 HDAA O=C(CC[C@H]1NC(=O)c2ccccc2NC1=O)NCCc1nc(-c2ccccc2)no1 206255569 UOBTUHLHHVUBAL-QGZVFWFLSA-N 419.441 1.926 0 50 HDAA O=C(NCc1cccnc1)[C@H]1[C@@H]2C(=O)N(Cc3ccc4c(c3)OCO4)C[C@@]23C=C[C@H]1O3 252346936 KPXAOELHTHDUFL-CFKGEZKQSA-N 419.437 1.409 0 50 HDAA COc1cc2c(cc1OC)C1(CCN(C(=O)CCCS(N)(=O)=O)CC1)OCC2 1704358236 HDXHMMSVWDMFDD-UHFFFAOYSA-N 412.508 1.163 0 50 HDAA O=C(CCc1cccnc1)NC[C@@H]1CN(CC2CCN(CC3CC3)CC2)C(=O)CO1 1857685913 ZRAUECLSFBKXSL-OAQYLSRUSA-N 414.550 1.480 0 50 HDAA O=C(Cn1nc2ccccc2n1)N1CC[C@@]23OC[C@@H](c4ccccc4)N2C(=O)C[C@@H]13 1857712235 GOWVDYVHPNBTEU-JQVVWYNYSA-N 403.442 1.732 0 50 HDAA CN(C)C(=O)N1CCC(C(=O)N2CC[C@@H](O)[C@@](CO)(Cc3ccccc3)C2)CC1 1857722773 NOTOLWAGZMXTFE-KNQAVFIVSA-N 403.523 1.195 0 50 HDAA COC(=O)[C@H]1C[C@H]2CN(C(=O)c3cnc(C)nc3O)CC(=O)N2[C@H]1c1ccccc1 1857727924 GBAQSBWHRAQEPY-MPGHIAIKSA-N 410.430 1.078 0 50 HDAA COc1cc(C(=O)N[C@H]2C[C@H]3CO[C@@H](CC(=O)N(C)C)CN3C2)c2ccccc2n1 1875248518 VNGYELLIDQOEID-JYJNAYRXSA-N 412.490 1.293 0 50 HDAA CCc1nnc(NC(=O)[C@@H](C)[C@H](C)NC(=O)N2CCc3c(O)nc(O)nc3C2)s1 2325850966 LZXHJFPVXWEAJZ-IUCAKERBSA-N 421.483 1.033 0 50 HDAA CCOC(=O)N1CCN(S(=O)(=O)c2ccc(OC)c(Br)c2)CC1 869666 CGSHNBZNGGPEPT-UHFFFAOYSA-N 407.286 1.921 0 50 HDAA C[C@H](NC(=O)C(=O)N[C@H](C)[C@@H]1COc2ccccc2O1)[C@@H]1COc2ccccc2O1 4024665 KEUUMAZYNPYVIQ-ILWKUFEGSA-N 412.442 1.676 0 50 HDAA biogenic COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NCCc2ccccc2)c(OC)c1 11661243 AEGSMLHNGVXTNJ-HXUWFJFHSA-N 411.502 1.753 0 50 HDAA CC(=O)N1CCCN(C(=O)C[C@H]2C(=O)NCCN2Cc2ccc3ccccc3c2)CC1 12004473 VCJZTYRVANPRKT-QFIPXVFZSA-N 422.529 1.611 0 50 HDAA COCCS(=O)(=O)c1ncc(CN2CC[C@@H](COC)C2)n1Cc1ccccc1 12192184 NAPYZRXVXRGGGC-GOSISDBHSA-N 407.536 1.820 0 50 HDAA O=C(c1cc(=O)[nH]c2ccccc12)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 12764965 WZVUOJAJGOMRDE-UHFFFAOYSA-N 415.446 1.814 0 50 HDAA O=C(Cn1nnnc1CN1CCCCCC1)NCC1(c2ccccc2)CCOCC1 14977606 ZJLLTJJSOHDVGO-UHFFFAOYSA-N 412.538 1.914 0 50 HDAA CN1CCN(C(=O)CC[C@H]2CCCN(C(=O)Cc3ccc4c(c3)OCO4)C2)CC1 19720835 QPCMTADCIUMRLG-QGZVFWFLSA-N 401.507 1.751 0 50 HDAA CN1CCN(C(=O)C[C@]2(c3cccc(F)c3)CC(=O)N(C3CCCC3)C2=O)CC1 19739766 FCICQEMGYWXFCQ-JOCHJYFZSA-N 401.482 1.929 0 50 HDAA CCN1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(SC)cc3)CC2)CC1 20567956 XKXNLENFDBVTDC-UHFFFAOYSA-N 411.593 1.973 0 50 HDAA Cc1nn(-c2ccc(N3CCOCC3)nn2)c2c1[C@@H](c1cccc(O)c1)CC(=O)N2 65363128 HGLJTTXVLZHRNY-MRXNPFEDSA-N 406.446 1.987 0 50 HDAA C[C@@H](N)C(=O)N1CCc2ccc(S(=O)(=O)NCCOc3ccccc3)cc2C1 77342514 CEGGWADBCSTKJE-OAHLLOKOSA-N 403.504 1.276 0 50 HDAA O=C(c1cc[nH]n1)N1CCc2ccc(S(=O)(=O)NCCc3ccccn3)cc2C1 77437984 QXHHFPKWYFVXTK-UHFFFAOYSA-N 411.487 1.524 0 50 HDAA Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3[C@@H](C(=O)O)[C@H]4C=C[C@H]3C4)CC2)cc1C 101449293 ODCHDDDWJGNJAS-CAMMJAKZSA-N 418.515 1.659 0 50 HDAA O=S1(=O)CC[C@@]2(C[C@@H](NS(=O)(=O)c3ccc(Br)cc3)CCO2)C1 170591847 GKJGATVPVXEFOQ-GXTWGEPZSA-N 424.338 1.464 0 50 HDAA CCN1CCOC[C@@H]1C(=O)NCCN1C(=O)S/C(=C\c2ccccc2F)C1=O 222059976 RTVHKOOSNGBDCT-DFSFMLJYSA-N 407.467 1.699 0 50 HDAA COc1ccc(N2C(=O)NC(=O)[C@@]3(Cc4ccccc4N4CCN(C)C[C@H]43)C2=O)cc1 229901184 XGMSQGKASJXCND-CVDCTZTESA-N 420.469 1.641 0 50 HDAA COc1ccc(CN2C(=O)[C@H](CC(=O)N[C@@H](CO)Cc3ccccc3)N=C2O)cc1 253535921 VMNFHQKJFYIYGU-MJGOQNOKSA-N 411.458 1.430 0 50 HDAA CCn1ccc(CN2CCC3(CC2)CN(C(=O)c2cc(=O)cc(C)o2)CCO3)n1 823587852 IVYSBFJRUHYRBO-UHFFFAOYSA-N 400.479 1.672 0 50 HDAA C[C@@H](NC(=O)CN1CCCN(S(=O)(=O)N2CCCCC2)CC1)c1ccccc1 1506398153 XAEUGUHOSIPGFS-GOSISDBHSA-N 408.568 1.602 0 50 HDAA O=C(c1cc(O)c2cccc(F)c2n1)N1CCC(N2CCN(CCO)CC2)CC1 1506407447 VZICOUATTVIYOE-UHFFFAOYSA-N 402.470 1.294 0 50 HDAA O=C(c1ncc(F)cc1F)N1C[C@@H]2CC[C@H](C1)[C@@H]2NS(=O)(=O)N1CCCC1 1857682211 SDMLRBDKCFPDPR-JYAVWHMHSA-N 400.451 1.141 0 50 HDAA CCN1CC[C@@H]2C[C@@H](N3CCOCC3)CC[C@@]2(C(=O)NCc2nccn2CC)C1 1857693348 SKLXFDOSUCLAML-XQBPLPMBSA-N 403.571 1.732 0 50 HDAA CC(C)c1nnc(N2C[C@@H](C(=O)N3CCN(C(=O)C4CCC4)CC3)CC2=O)s1 1857736575 NIQLRYNOBPDAOZ-AWEZNQCLSA-N 405.524 1.485 0 50 HDAA CCC(CNC(=O)[C@H]1CCCC12OCCO2)CNC(=O)[C@H]1CCCC12OCCO2 2325725730 WZCGAEZJXHBZNC-IAGOWNOFSA-N 410.511 1.331 0 50 HDAA CCN1C[C@H](C(=O)N2CCCC[C@@H](NC(=O)c3ccc(C(N)=O)s3)C2)CCC1=O 2325864580 SSMHHNFMRPJESW-ZIAGYGMSSA-N 420.535 1.216 0 50 HDAA Cc1cc(C)n(CCNC(=O)c2cc3c(s2)C2(CCNCC2)OCC3)c(=O)n1 2356167479 QBDTVSGIMSZOHH-UHFFFAOYSA-N 402.520 1.503 0 50 HDAA CCOc1cccc(N2C(=O)C[C@H](NCc3ccc(S(N)(=O)=O)cc3)C2=O)c1 842576 RCERXABCMBAQPU-KRWDZBQOSA-N 403.460 1.154 0 50 HDAA COc1ccc([C@]2(CC(=O)N3CC[C@@H](O)C3)CC(=O)N(CCC(C)C)C2=O)cc1 12041416 HOHZERPLEXDJBI-VGSWGCGISA-N 402.491 1.721 0 50 HDAA COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)N(C)Cc2cccnc2)c(F)c1 12303087 WDJLBQDBWYMCLR-IBGZPJMESA-N 400.454 1.578 0 50 HDAA COc1ccccc1CN1CCNC(=O)[C@H]1CC(=O)NCc1ccc(F)cc1F 12705195 GKZLUPZNORIMLK-GOSISDBHSA-N 403.429 1.980 0 50 HDAA COc1cccc(CN2CCNC(=O)[C@H]2CC(=O)NCc2cc(C(C)C)no2)c1 13596055 FUBYSGQBZRVACW-LJQANCHMSA-N 400.479 1.814 0 50 HDAA CCC[C@@H]1NC(=O)[C@H]2CN(S(=O)(=O)c3cccc4ccccc34)CCN2C1=O 14755561 FXKZVMBSGIWWDA-DLBZAZTESA-N 401.488 1.340 0 50 HDAA Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CC=CC[C@@H]3C(=O)O)CC2)cc1C 17087359 STFKPANHYKMSDT-MSOLQXFVSA-N 406.504 1.803 0 50 HDAA CN(C)S(=O)(=O)N1CCN(C[C@H](O)COc2ccc(-c3ccccc3)cc2)CC1 20029610 FDOBVQBRYSREKP-FQEVSTJZSA-N 419.547 1.517 0 50 HDAA Nc1nnc(SCc2cc(=O)[nH]c(N3CCN(Cc4ccccc4)CC3)n2)s1 54274494 YCLTVLXPCPONBS-UHFFFAOYSA-N 415.548 1.818 0 50 HDAA O=C(NCC1(COc2ccccc2)CC1)[C@H]1CNC[C@H](C(=O)N2CCOCC2)C1 91966015 SLAWCOOMZBAZGD-QZTJIDSGSA-N 401.507 1.046 0 50 HDAA NC(=O)C[C@H](NC(=O)c1ccccc1Cl)C(=O)NCc1nc2ccc(F)cc2[nH]1 791373158 HEGJXZPMLGQUJB-HNNXBMFYSA-N 417.828 1.646 0 50 HDAA Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1NC(=O)c1ccc(Cn2cnnn2)cc1 1529181361 NAFWHUQATPZJOM-MRXNPFEDSA-N 415.479 1.147 0 50 HDAA CN(C)C[C@]12CN(C(=O)C3CCCCC3)C[C@H]1CN(c1cnc(C(=O)O)cn1)C2 1800410756 ZUNPTHWRNGJKEZ-IERDGZPVSA-N 401.511 1.582 0 50 HDAA Cc1ccc2nc(N3C[C@@H](C(=O)N4CCC(S(N)(=O)=O)CC4)CC3=O)sc2c1 1857722617 KEXOTKUPMIFYIT-LBPRGKRZSA-N 422.532 1.237 0 50 HDAA COc1ccc(F)cc1C(=O)N1C[C@@H]2CCC[C@]2(CNC(=O)C[C@H]2CCNC2=O)C1 1875334705 AFFCZVAYNGOWCO-GTQRCTGISA-N 417.481 1.719 0 50 HDAA COC[C@H](C(=O)N1CCCC[C@H]1c1cn(-c2ccc(C(=O)O)cc2)nn1)N(C)C 1875355500 LMSFDRYXEDHTGF-ZWKOTPCHSA-N 401.467 1.596 0 50 HDAA NS(=O)(=O)c1ccc(NC(=O)c2cc(-c3ccc(CC(=O)O)cc3O)[nH]n2)cc1 2325899511 IMUXAGVSOOUKBJ-UHFFFAOYSA-N 416.415 1.309 0 50 HDAA CN(C)c1ncc2c(n1)[C@]1(CCCN(C(=O)Cc3cccc(OCCN)c3)C1)CC2 2356154404 UXWVXWHHCDTCLX-HSZRJFAPSA-N 409.534 1.929 0 50 HDAA COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NCCc2ccccc2)c(OC)c1 11661242 AEGSMLHNGVXTNJ-FQEVSTJZSA-N 411.502 1.753 0 50 HDAA Cn1ccnc1SCCNC(=O)c1cn(C[C@@H]2COc3ccccc3O2)nn1 12315863 UJDPCLKGQTVIBF-CYBMUJFWSA-N 400.464 1.374 0 50 HDAA O=C1CN(C(=O)[C@@H]2CCOC2)C[C@@H](OCc2ccccc2)CN1Cc1cccnc1 14742838 PXKGLAJADNSVEV-RTWAWAEBSA-N 409.486 1.874 0 50 HDAA CCC(=O)[C@H]1CCCN(C(=O)C[C@]2(c3ccc(OC)cc3)CC(=O)N(C)C2=O)C1 14880915 UREHKBPCMXZARE-NYHFZMIOSA-N 400.475 1.930 0 50 HDAA CCOc1ccccc1CN1CCNC(=O)[C@@H]1CC(=O)NCc1nc(C)cs1 14974978 GTKMJAOWCADRQE-INIZCTEOSA-N 402.520 1.857 0 50 HDAA Cn1nc(C(=O)N2CCSCC2)c2c1CC[C@@H](N(CCO)Cc1ccccc1)C2 20534346 MEICPYANCPTQDU-GOSISDBHSA-N 414.575 1.961 0 50 HDAA Cc1ccc(S(=O)(=O)N2CCN(c3cc(N4CCN(C)CC4)ncn3)CC2)cc1 72436930 GEUXDUKFACBLCA-UHFFFAOYSA-N 416.551 1.048 0 50 HDAA COc1ccc(CCN2C(=O)[C@H](CCC(=O)N[C@@H](CO)CCSC)N=C2O)cc1 252537123 KJCZXMKQUBUPEV-WBVHZDCISA-N 423.535 1.373 0 50 HDAA CC[C@H](CO)N1CCN(S(=O)(=O)c2cccc(NC(=O)c3ccco3)c2)CC1 408520905 AQDPSTKSFLABNP-MRXNPFEDSA-N 407.492 1.609 0 50 HDAA Cc1noc(C)c1CN1CCc2c(C(=O)NC[C@H]3CN(C)CCO3)csc2C1 426436539 JETYLNJEGVWMLX-HNNXBMFYSA-N 404.536 1.972 0 50 HDAA Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1NC(=O)c1ccccc1-n1cncn1 1529181107 PYLWEMKSRCEXMX-AWEZNQCLSA-N 400.464 1.693 0 50 HDAA COc1cc(-c2onc(N3CCN(CC(=O)N(C)C)CC3)c2C(=O)O)ccc1F 1704307358 XXLZLMZPBPKPHH-UHFFFAOYSA-N 406.414 1.398 0 50 HDAA O=S(=O)(NC[C@H]1CCn2cnnc2C1)c1cccnc1NC[C@H]1CCCCS1 1875335745 FOGVCMRTBRINCJ-LSDHHAIUSA-N 422.580 1.912 0 50 HDAA CC(C)[C@@H](CNC(=O)C[C@@H]1CCC(=O)NC1)NC(=O)CNc1cccc(Cl)c1 1875345306 VSRSUBPTQWZFEG-WMLDXEAASA-N 408.930 1.925 0 50 HDAA CO[C@@H]1C[C@@H](c2nnc3cnccn23)N(C(=O)Cc2ccc(-n3cnnc3)cc2)C1 2325843133 WICXSIJPBNKGOB-SJORKVTESA-N 404.434 1.236 0 50 HDAA Cc1nc2c(c(=O)n1C)CCN(C(=O)c1ccc3nnc([C@H](O)C(C)C)n3c1)CC2 2356169827 IFDFRVRDMYNEGI-GOSISDBHSA-N 410.478 1.062 0 50 HDAA CCC(=O)N(c1ccccc1)C1(COC)CCN(CCn2nnn(CC)c2=O)CC1 601281 IDBPHNDTYPBSNI-UHFFFAOYSA-N 416.526 1.384 0 50 HDAA biogenic,fda COc1ccc(OCC(=O)Nc2ccccc2N2CCN(S(C)(=O)=O)CC2)cc1 815719 WNVGWQMXYPGYKA-UHFFFAOYSA-N 419.503 1.794 0 50 HDAA O=C(CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1)NCCO 2995786 HNIBAAUVNBUMNT-UHFFFAOYSA-N 400.859 1.779 0 50 HDAA COc1ccccc1N1C(=O)c2ccc(C(=O)Nc3c[nH]c(=O)[nH]c3=O)cc2C1=O 5198072 SUTSELMDIHDSGI-UHFFFAOYSA-N 406.354 1.125 0 50 HDAA COc1cc(C)c(CN2CCC[C@H](n3cc(C(=O)N(C)CCO)nn3)C2)cc1C 11788301 GMPVRSULHNPAEW-SFHVURJKSA-N 401.511 1.805 0 50 HDAA COc1cc(CNCCc2cnccn2)ccc1OC[C@@H](O)CN1CCSCC1 11878883 LTIGOPURABHHAP-IBGZPJMESA-N 418.563 1.606 0 50 HDAA O=CN1CCN(C(=O)C[C@]2(c3cccc(F)c3)CC(=O)N(C3CCCC3)C2=O)CC1 12037682 MZPBTWCCMXIJCE-JOCHJYFZSA-N 415.465 1.456 0 50 HDAA COC(=O)CCNC(=O)c1ccc(OC2CCN(S(C)(=O)=O)CC2)c(Cl)c1 12596536 JVKYWCQRFXKAOR-UHFFFAOYSA-N 418.899 1.436 0 50 HDAA CC(=O)NCCNC(=O)[C@@H]1C[C@H](CN2CCCC2)CN(CCc2ccccc2)C1 14542065 SJVKYSPIMCDVSP-FGZHOGPDSA-N 400.567 1.515 0 50 HDAA O=C1CN(C(=O)c2ccccn2)C[C@H](OCc2cccnc2)CN1CC1CCOCC1 14741690 MIHRNJKAVCOHLS-HXUWFJFHSA-N 424.501 1.773 0 50 HDAA CCn1cc(/C=c2\sc3n(c2=O)[C@H](c2ccccc2)C(C(=O)OC)=C(C)N=3)c(C)n1 17093132 HIRUDDJWWCUVFS-DPWKNNTCSA-N 422.510 1.933 0 50 HDAA CS(=O)(=O)NCCCOc1ccc(CN2CCN(c3ccccn3)CC2)cc1 20254743 BGOQGXYQNMWUCN-UHFFFAOYSA-N 404.536 1.722 0 50 HDAA COc1ccc(CNC(=O)C[C@H]2C(=O)NCCN2Cc2cccc(F)c2F)cc1 55371396 ZOVORBOYMRTPBL-SFHVURJKSA-N 403.429 1.980 0 50 HDAA CN1CCC(NC(=O)CN(c2ccccc2Br)S(C)(=O)=O)CC1 65365343 GIIIXGKAYXYJNI-UHFFFAOYSA-N 404.330 1.426 0 50 HDAA NC(=O)C1(N2CCCCC2)CCN(c2ncnc3sc4c(c23)CCNC4)CC1 65430860 CMCIFXLTERORAN-UHFFFAOYSA-N 400.552 1.647 0 50 HDAA Cc1ccn2c(CNC[C@H]3CCn4ncc(C(=O)N5CCOCC5)c4C3)cnc2c1 328605494 OAXONOQYSFRGGD-KRWDZBQOSA-N 408.506 1.664 0 50 HDAA CC(=O)N1CCOc2ccc(S(=O)(=O)N[C@H]3COC[C@H]3Cc3ccncc3)cc21 1704338769 ZLUNVMALNXFSOW-AEFFLSMTSA-N 417.487 1.363 0 50 HDAA CCOCCNC(=O)[C@@]12CCCN(C(=O)c3ccccc3OC)[C@H]1CN(C)CC2 1775982220 MGSLOIVWFVCLFV-SIKLNZKXSA-N 403.523 1.774 0 50 HDAA CN(C)S(=O)(=O)N1C[C@@H]2COC[C@]2(C(=O)NCc2ccc3sccc3c2)C1 1857689091 DHCSKLQUIJJFSZ-CRAIPNDOSA-N 409.533 1.272 0 50 HDAA CN(C)c1nc2c(c(=NC[C@@H]3CCOC3)[nH]1)CCC21CCN(Cc2ncc[nH]2)CC1 1857694999 OPZMVLJOGOTHDB-INIZCTEOSA-N 411.554 1.616 0 50 HDAA Cc1ncsc1CCN(C)C(=O)[C@H]1OCC(=O)N(C2CC2)[C@@H]1c1cccnc1 1940195041 ATLXTEGQGWFBCN-MOPGFXCFSA-N 400.504 1.979 0 50 HDAA Cc1cc(C)n2nc(C(=O)N3CCc4nc(Cc5ccccc5)nn4CC3)nc2n1 2356167737 ALQDORPPTOWTBX-UHFFFAOYSA-N 402.462 1.622 0 50 HDAA CN(C)c1cccc2c(S(=O)(=O)N[C@@H](CCCNC(N)=O)C(=O)O)cccc12 2545160 ZOIMHPVNJYGOEJ-AWEZNQCLSA-N 408.480 1.086 0 50 HDAA O=C(N[C@@H](CCn1cncn1)c1ccccc1)c1cn(CCN2CCCCC2)nn1 12588251 KFWOWLHXKBXGFR-IBGZPJMESA-N 408.510 1.917 0 50 HDAA C/C(=C\c1ccco1)CN1CCc2nnc(CNC(=O)[C@@H]3CCCN(C)C3)n2CC1 14973612 ZKVUYDUPUQGMSV-VJSYINPZSA-N 412.538 1.791 0 50 HDAA CCN1CCN(C[C@H](O)COc2cccc(CNCCCn3cccn3)c2)CC1 22913466 MFYWIXZOYAFCQP-NRFANRHFSA-N 401.555 1.440 0 50 HDAA CCN1CCN([C@H](C)CNC(=O)c2cc(-c3ccc4c(c3)OCCO4)on2)CC1 32594180 RGAUIZHBNBNMLP-OAHLLOKOSA-N 400.479 1.869 0 50 HDAA CCC(CC)CN1C[C@]23C=C[C@H](O2)[C@H](C(=O)N2CC(Oc4cccnc4)C2)[C@@H]3C1=O 77439890 FWSMPZAHOMPPEE-GJPOJAMWSA-N 411.502 1.889 0 50 HDAA CC(=O)OC[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)c1cnc2ccccc2n1 101360524 CZCMCRIAFRGXRB-UFYCRDLUSA-N 418.402 1.661 0 50 HDAA C[C@H](C(=O)O)N1C(=O)[C@H]2[C@@H]3C[C@@H]([C@H]4[C@H]3N4c3ccc(Br)cc3)[C@H]2C1=O 244873616 WSZGIAKPYDEOHT-YVEXPYANSA-N 405.248 1.730 0 50 HDAA Cn1cnc2ccc(NC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@@H]34)cc2c1=O 334162171 OPVVWDNAHFYOGT-YQQAZPJKSA-N 401.492 1.598 0 50 HDAA O=C(Nc1nccs1)c1cccc(S(=O)(=O)N2C[C@@H]3C[C@H]4C[C@H]3[C@@H]2[C@@H]4O)c1 408525180 OTJUFJDUCXVWIL-BHQQPIICSA-N 405.501 1.785 0 50 HDAA CCOC(=O)[C@@H]1CCCN(c2ncnc3c2ncn3C[C@H](CO)[C@@H]2CCOC2)C1 1857533189 MCAHMQSGJCFOIF-BZUAXINKSA-N 403.483 1.251 0 50 HDAA O=C(O)c1n[nH]c2c1CN(Cc1ccccc1OCCCN1CCOCC1)CC2 1857677733 BOLWBAOWIZTRHR-UHFFFAOYSA-N 400.479 1.767 0 50 HDAA NC(=O)COCC(=O)N1CCCOc2cccc(c2)CC[C@H]2CCCCN2CC1 1857705893 ZORFGCDXUNDYLQ-LJQANCHMSA-N 403.523 1.587 0 50 HDAA COC(=O)[C@H]1C[C@H]2CN(C(=O)CCCc3cn[nH]c3)CC(=O)N2[C@H]1c1ccccc1 1857727123 LJUJNJKFPSLVHE-WFXMLNOXSA-N 410.474 1.706 0 50 HDAA Cc1nnc(N2C[C@@H](C(=O)N3CCN(CCc4ccccc4)C(=O)C3)CC2=O)s1 1857732102 BVCAOSQIKJOQNS-INIZCTEOSA-N 413.503 1.113 0 50 HDAA CN(C(=O)CCCn1ccnn1)[C@H]1CCCC[C@@H]1N(C)C(=O)CCCn1ccnn1 2325724262 USMGQKXVTMZFMV-ROUUACIJSA-N 416.530 1.358 0 50 HDAA NC(=O)C1(CNC(=O)C2(c3cccs3)CC2)CN(C(=O)CCc2cccs2)C1 2325823987 KRTJYRFFXVPIKC-UHFFFAOYSA-N 417.556 1.904 0 50 HDAA C[C@]1(n2cc(CNC[C@H](Cc3cccc(O)c3)C(=O)O)cn2)CCS(=O)(=O)C1 2325851668 GEUUVDKDZMXIDR-LPHOPBHVSA-N 407.492 1.156 0 50 HDAA COc1cc(CN2CCNC(=O)[C@H]2CC(=O)NCCCOC(C)C)cc(OC)c1 12432166 RVQVJHAJXSVOKH-LJQANCHMSA-N 407.511 1.326 0 50 HDAA COc1ccc(S(=O)(=O)NC[C@H]2CCCN(C(=O)CCn3ccnc3C)C2)cc1 12437419 DFGFAYJYSHIDCH-QGZVFWFLSA-N 420.535 1.807 0 50 HDAA COCCN(CC1CCN(Cc2ccccc2OC)CC1)C(=O)C1(C(N)=O)CC1 14973454 HGCSWGCBJVOCAE-UHFFFAOYSA-N 403.523 1.648 0 50 HDAA O=C(Cn1nnnc1CN1CCOCC1)NCCC(c1ccccc1)c1ccccc1 19741453 PGWLYAZNCGYKFN-UHFFFAOYSA-N 420.517 1.844 0 50 HDAA Cc1cc2c(cc1S(=O)(=O)N1CCN(Cc3ccccc3)CC1)NC(=O)CO2 19874057 QPGNKYPOWZJWBH-UHFFFAOYSA-N 401.488 1.832 0 50 HDAA Cc1ccn(-c2ccc(N3CCN(S(=O)(=O)c4cc(F)ccc4C)CC3)nn2)n1 72117393 ORXDIGMPWINYNH-UHFFFAOYSA-N 416.482 1.929 0 50 HDAA Cc1noc(CN2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)n1 225500025 UTCCTILJOLCJAA-UHFFFAOYSA-N 407.315 1.709 0 50 HDAA CCOc1cc(C(=O)N2CCC[C@@]3(C2)NC(=O)NC3=O)ccc1OCc1ccncc1 225723037 RDXKPTQWBRMXKC-QFIPXVFZSA-N 424.457 1.874 0 50 HDAA COc1ccc(CCNC(=O)[C@H]2[C@H]3C=C[C@@]4(CN(c5cc(C)on5)C(=O)[C@H]24)O3)cc1 252346866 JGIGDUDPAKLIDQ-ONZODILHSA-N 409.442 1.637 0 50 HDAA O=C(CN1CCN(C(=O)N[C@H]2CCN(c3ccc(Cl)c(F)c3)C2)CC1)NC1CC1 490258803 DAVWFDFKZXJIMF-HNNXBMFYSA-N 423.920 1.664 0 50 HDAA COc1ccc(-n2cccn2)cc1S(=O)(=O)N1CCC[C@@]2(CCC(=O)N(C)C2)C1 952871765 AMEUAPUBFZOWDV-FQEVSTJZSA-N 418.519 1.904 0 50 HDAA COc1ccccc1-c1ccnc(C2CCN(C(=O)C3=NN4CCCN=C4N3)CC2)n1 952892141 FFZZNNDFGPQUNQ-UHFFFAOYSA-N 419.489 1.837 0 50 HDAA Cc1nn(C)cc1NC(=O)CN1CCC[C@@H](CNC(=O)c2cc(C(C)C)no2)C1 1506406821 JQYWEHCIWMVDAU-HNNXBMFYSA-N 402.499 1.920 0 50 HDAA Cc1cc(C(F)(F)F)n(-c2nc(C(=O)N3C[C@@H](O)[C@H](CC(=O)O)C3)cs2)n1 1857673470 SXDDSVJXHPOZSX-PSASIEDQSA-N 404.370 1.564 0 50 HDAA O=C(CCc1c[nH]c2ccccc12)N1CCO[C@]2(CCN(C(=O)c3cc[nH]n3)C2)C1 1857690889 SZYBLPVPDQISEH-JOCHJYFZSA-N 407.474 1.967 0 50 HDAA COCCc1nc(CNC(=O)C[C@@H]2CCCN(c3nc4ncccc4o3)C2)no1 1857696733 ADDJWZUYEVPBJG-ZDUSSCGKSA-N 400.439 1.718 0 50 HDAA Cc1oc(CNS(C)(=O)=O)cc1C(=O)Nc1cccc(NS(C)(=O)=O)c1 1875253594 USQQLWGVAOFCFP-UHFFFAOYSA-N 401.466 1.261 0 50 HDAA CCn1c(O)nc(N2CC[C@@H](N=c3nc(-c4ccncc4)[nH]c4c3CCC4)C2)cc1=O 1875362506 HVUSQJJXGDXQRR-OAHLLOKOSA-N 419.489 1.422 0 50 HDAA CCc1nn(C)c(CC)c1NC(=O)N1CCN([C@@H](C)C(=O)NCCCOC)CC1 2325828664 NTSRTZMAXMFTHC-HNNXBMFYSA-N 408.547 1.236 0 50 HDAA CC[C@@H]1[C@H](C(=O)N2CCC3(CC2)OCCc2ccsc23)C[C@@H]2CNCC(=O)N21 2356155641 KUCSCJBDAFDISQ-BRWVUGGUSA-N 403.548 1.737 0 50 HDAA O=C(NC[C@@H]1[C@@H](c2ccccc2)[C@]12CN(C(=O)c1cc[nH]c1)C[C@H]2O)c1cc[nH]n1 2356158104 CTOJDDMOZNJQQV-WGQQHEPDSA-N 405.458 1.385 0 50 HDAA COc1cc(CN(C)Cc2cnn(C)c2)ccc1OC[C@H](O)CN1CCSCC1 12582774 POISODKGWGPARE-LJQANCHMSA-N 420.579 1.849 0 50 HDAA O=C(NC[C@@H]1CCCO1)[C@@H]1C[C@H](CN2CCOCC2)CN(Cc2ccccc2)C1 14539601 WXEQPHSDHGCLRX-VSKRKVRLSA-N 401.551 1.752 0 50 HDAA CN1CCC(N(C)C(=O)C[C@@H]2C(=O)NCCN2Cc2ccc(Cl)c(F)c2)CC1 19536901 MURFCRSUAIVIPV-GOSISDBHSA-N 410.921 1.722 0 50 HDAA CCCS(=O)(=O)N1CCC[C@@H](N2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 20254651 AZNSZOYNMPSCQW-GOSISDBHSA-N 409.552 1.737 0 50 HDAA CN1N=C(C(=O)N2CCC[C@H](N3CCN(c4ccc(F)cc4)CC3)C2)CCC1=O 55369508 ZZUMLXNMTABWPN-SFHVURJKSA-N 401.486 1.547 0 50 HDAA Cc1nc(N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)cc(-n2cccn2)n1 65365557 ZIGJDNOBQOAVSM-UHFFFAOYSA-N 402.455 1.621 0 50 HDAA CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2noc(CC)n2)CCCC1 170600714 CKMNLWIRSCVRRP-ZDUSSCGKSA-N 410.471 1.974 0 50 HDAA CC(C)c1nc(C(=O)N2CCC[C@H](n3ncc(N4CC[C@H](O)C4)cc3=O)C2)cs1 328607382 WAGGGTAGHZKNQQ-HOCLYGCPSA-N 417.535 1.872 0 50 HDAA C[C@@]12C[C@@H](c3ccccc3O1)n1c(s/c(=C3\C(=O)Nc4ccc(F)cc43)c1=O)=N2 390834945 UUFBDQYASLJLIA-XPAQORTPSA-N 407.426 1.921 0 50 HDAA Cc1noc(C)c1NC(=O)c1cccc(S(=O)(=O)N2C[C@@H]3C[C@H]4C[C@H]3[C@H]2[C@@H]4O)c1 408525072 JVZTZCLOLKEQMN-GAIWEEKLSA-N 417.487 1.934 0 50 HDAA C[C@@H](NC(=O)CN1CCN(S(C)(=O)=O)CC1)c1nc2ccccc2n1C(F)F 469275777 FBNCMWHMXUYLJC-GFCCVEGCSA-N 415.466 1.186 0 50 HDAA Cc1nn(C)c(C)c1CN1CCOC2(CCN(C(=O)c3ccc(CO)o3)CC2)C1 828825997 PTHQVAULGNHVLQ-UHFFFAOYSA-N 402.495 1.629 0 50 HDAA CCOC(=O)[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CCN(C(=O)c1nccn1C)C2 1857699476 QDVHFXDRQKWWTM-CBGDNZLLSA-N 404.511 1.316 0 50 HDAA CC1(C)C[C@H](N=c2nc[nH]c3[nH]c(I)cc23)CCS1(=O)=O 1875309343 IZQRAOZDEDMMAW-MRVPVSSYSA-N 420.276 1.752 0 50 HDAA O=C1NC(=O)[C@]2(CCCCC[C@H]2NC(=O)c2ccc(S(=O)(=O)C3CCC3)cc2)N1 1875328936 SVYVYVTUDNSDRV-OXQOHEQNSA-N 419.503 1.654 0 50 HDAA OC[C@@H]1CCCN1C[C@@H]1CCCN1CCCN1CCC[C@H]1CN1CCC[C@H]1CO 2325714031 NHBMCRSDVUFETA-MLCQCVOFSA-N 408.631 1.219 0 50 HDAA O=C(O)c1c(N2CCN(S(=O)(=O)N3CCCC3)CC2)noc1-c1ccccc1 2356152932 ILVPGCQWDRHXGK-UHFFFAOYSA-N 406.464 1.502 0 50 HDAA Cn1nc(-c2ccc(N3CCOCC3)c(NS(C)(=O)=O)c2)c2ccccc2c1=O 1135707 FCURHAULJQJEQH-UHFFFAOYSA-N 414.487 1.809 0 50 HDAA COc1cc(C(=O)NCCNC2=NS(=O)(=O)c3ccccc32)cc(OC)c1OC 2969702 HENMVSORDOFOGZ-UHFFFAOYSA-N 419.459 1.181 0 50 HDAA COc1ccc(S(=O)(=O)NCCC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 9266571 OKYRMCBELUIMDW-UHFFFAOYSA-N 421.494 1.852 0 50 HDAA COc1ccc(CN(CCO)CCO)cc1OC[C@H](O)CN(C)Cc1ccccc1 12297608 IWEAHIKPGUDYLC-OAQYLSRUSA-N 418.534 1.354 0 50 HDAA COc1cc(CN2CCNC(=O)C2)ccc1OC[C@H](O)CN1CCCCCCC1 12713674 CEEWBRFSBYLEHJ-LJQANCHMSA-N 405.539 1.633 0 50 HDAA Cc1ccccc1-n1c(C)cn2c3c(=O)n(CCN4CCOCC4)c(=O)n(C)c3nc12 13539850 IXGGUUAFZKPJPE-UHFFFAOYSA-N 422.489 1.088 0 50 HDAA O=C1CN(C(=O)c2ccccn2)C[C@@H](OCc2cccnc2)CN1CC1CCOCC1 14741689 MIHRNJKAVCOHLS-FQEVSTJZSA-N 424.501 1.773 0 50 HDAA O=C([C@H]1CCCN(Cc2nc(-c3ccc4c(c3)OCO4)no2)C1)N1CCOCC1 14980965 DTSMBPKVQNSVHN-HNNXBMFYSA-N 400.435 1.536 0 50 HDAA CN(Cc1n[nH]c2c1CCCC2)C(=O)C[C@@H]1C(=O)NCCN1Cc1cccc(F)c1 15062519 VHCYJSMHIPJRLQ-HXUWFJFHSA-N 413.497 1.777 0 50 HDAA COc1ccc(/C=C2\SC(=O)N(CCC(=O)N3CCN(C)CC3)C2=O)cc1OC 23634509 NTLXFPWZDKNUEV-LGMDPLHJSA-N 419.503 1.904 0 50 HDAA CCOC(=O)c1csc(C2CCN(C(=O)Cn3nc4ccccn4c3=O)CC2)n1 170613601 VLFZCOQZINUPAE-UHFFFAOYSA-N 415.475 1.535 0 50 HDAA Cc1cc(=O)n2nc(CN3CCN([C@H]4CCN(c5ccccc5)C4=O)CC3)sc2n1 170626293 AMNTYLIYQYPLOD-KRWDZBQOSA-N 424.530 1.383 0 50 HDAA O=C([C@H](Cc1ccccc1)N1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C1=O)N1CCOCC1 239159522 MGLINBZIRDXIBI-YTNBPZCUSA-N 406.482 1.510 0 50 HDAA Cn1cc(S(=O)(=O)NCC[C@@H](c2ccccc2)c2ccco2)c(=O)n(C)c1=O 670434032 CLSJEHIHASAMQM-HNNXBMFYSA-N 403.460 1.178 0 50 HDAA Cc1nn(-c2ccccc2)c(C)c1[C@H]1COCCN1C(=O)CN1CCN(C)C(=O)C1 952887752 WKBORSJZQGXMPT-LJQANCHMSA-N 411.506 1.163 0 50 HDAA Cc1ccc2c(c1)C(=O)NCCN(C(=O)[C@H]1CCCO1)CCCC(=O)NCCO2 1857671602 KNLMPKFEVHGHDK-GOSISDBHSA-N 403.479 1.021 0 50 HDAA CCN1CC[C@@H]2C[C@@H](N3CCOCC3)CC[C@@]2(C(=O)NCCn2nccc2C)C1 1857684521 RFDLWWXZYCELNK-RZUBCFFCSA-N 403.571 1.521 0 50 HDAA CC(=O)N[C@H](Cc1c[nH]c2cc(F)ccc12)C(=O)NC[C@H]1[C@@H](C)N(C)CCN1C 1875258983 FKMHGIVQAHQPOL-GBLZOACLSA-N 403.502 1.105 0 50 HDAA CC[C@@H](NC(=O)Cc1cccc(-c2cn(C[C@H](O)COC)nn2)c1)C(C)(C)C(=O)O 1875354225 RLNQLWXHNFDBQB-FUHWJXTLSA-N 418.494 1.501 0 50 HDAA COc1ccc(C(=O)N2CC[C@](Cc3ccccc3)(C(=O)O)[C@H](O)C2)c(OC)n1 1940198035 IQRDGYNCAVNULP-IIBYNOLFSA-N 400.431 1.619 0 50 HDAA CCOC(=O)[C@@H](NC(=O)Cc1n[nH]c2c1CCCC2)[C@@H](O)c1ccc(OC)cc1 2325861122 GKKOKDMRZZEPOK-PMACEKPBSA-N 401.463 1.621 0 50 HDAA CN=c1nc(C(=O)N2CCCC2)c2c([nH]1)CCN(c1c(C)c(C)nc3ccnn13)C2 2356157211 FPVWFDBSDJVVQR-UHFFFAOYSA-N 406.494 1.398 0 50 HDAA CCOCCn1c(N2CCC(Cc3ccccc3)CC2)nc2c1c(=O)[nH]c(=O)n2C 1864956 DJVZDHZJXUFXGN-UHFFFAOYSA-N 411.506 1.919 0 50 HDAA O=C(O)c1ccccc1C(=O)N(CCS(=O)(=O)N1CCCC1)Cc1cccnc1 9423343 NTKYRAPQKGLJFS-UHFFFAOYSA-N 417.487 1.848 0 50 HDAA O=C(NCCCN1CCCC1)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 10450189 KUYRPRBQLUTZIW-UHFFFAOYSA-N 415.943 1.577 0 50 HDAA CCN(CCO)C(=O)C[C@@]1(c2ccccc2)CC(=O)N(CCc2ccccn2)C1=O 11788351 BKFCZXBCJSMKLC-QHCPKHFHSA-N 409.486 1.552 0 50 HDAA Cc1cc2c(cc1S(=O)(=O)Nc1ccc(C(=O)N(C)C)cc1)n(C)c(=O)n2C 12446838 ZLKSEVIIUIUORZ-UHFFFAOYSA-N 402.476 1.688 0 50 HDAA NCCCC[C@@H]1NC(=O)[C@@H]2C[C@H](NC(=O)c3c(Cl)cccc3Cl)CN2C1=O 14749849 OVQLWYWJCNSVNI-BPNCWPANSA-N 413.305 1.320 0 50 HDAA CCc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCCC[C@H]3C(=O)O)CC2)cc1 17088020 SOVOGVMUWDGPJI-ZWKOTPCHSA-N 408.520 1.973 0 50 HDAA CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@@H](NCCN1CCOCC1)C2 23353681 CGVKVTSHBTUFQU-GOSISDBHSA-N 403.571 1.698 0 50 HDAA Cc1nc(N2CCN(S(=O)(=O)c3cc(F)ccc3C)CC2)cc(-n2cccn2)n1 65363131 RQONKAKVXNGKCL-UHFFFAOYSA-N 416.482 1.929 0 50 HDAA NC(=O)C1CCN(C(=O)[C@H]2CC[C@H](Cn3c(O)nc4ccccc4c3=O)CC2)CC1 245254882 DBUALQWGJJILLE-KOMQPUFPSA-N 412.490 1.632 0 50 HDAA CC(C)C[C@H](C(=O)NCc1cccnc1-n1cncn1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O 248273953 RFRRYZGFBULXQO-KZNAEPCWSA-N 422.489 1.644 0 50 HDAA O=S1(=O)CC[C@H](N(C[C@H]2CCCO2)S(=O)(=O)C2=Cc3ccccc3CC2)C1 252445410 QHLBWGKMIKAVAZ-ZWKOTPCHSA-N 411.545 1.972 0 50 HDAA CN(Cc1nccs1)C(=O)Cn1nnnc1[C@H](c1ccccc1)N1CCOCC1 827887644 UCZHYEKHDOLGIJ-SFHVURJKSA-N 413.507 1.210 0 50 HDAA Cn1c(N2CC[C@H](O)C2)nc2cc(C(=O)NCCCc3csc(N)n3)ccc21 828895289 XKQCWRMQGBNBCN-AWEZNQCLSA-N 400.508 1.546 0 50 HDAA C[C@H]1CCCN(C(=O)C2CC3(C2)C[C@H](NC(=O)c2ccon2)CCS3(=O)=O)CC1 952876171 DLLDILYSLLFQAY-ZZPBVIFJSA-N 423.535 1.779 0 50 HDAA Cn1c(N2CCOCC2)nc2cc(C(=O)N[C@H]3COC[C@H]3Cc3ccncc3)ccc21 1704355567 REAFYCOUKWSGFV-QUCCMNQESA-N 421.501 1.792 0 50 HDAA COCCNc1nc2cc(C(=O)N3CC(=O)N[C@@H](Cc4ccccc4)C3)ccc2n1C 1772701571 FQZWPBQVRVNSCG-SFHVURJKSA-N 421.501 1.815 0 50 HDAA Cc1nnc(N2C[C@H](C(=O)N3CCN(c4ncccc4Cl)CC3)CC2=O)s1 1857720313 OMFGEMUBRSTARX-GFCCVEGCSA-N 406.899 1.597 0 50 HDAA Cc1noc(C)c1C(=O)N1CCC2(CCc3c(O)nc(N4CCOCC4)nc32)CC1 1857722731 MFLLMVAWIRULRS-UHFFFAOYSA-N 413.478 1.744 0 50 HDAA CCC[C@@H]1C[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CNS(=O)(=O)C1CC1)[C@H]2F 2325872749 LHMAVRXTXGDUMY-VBVBTZNPSA-N 415.531 1.091 0 50 HDAA COc1ccc(OCC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1 899935 VESMRPFCEWZATF-UHFFFAOYSA-N 408.451 1.746 0 50 HDAA CN(C)c1nc(OCCNC(=O)Nc2ccc(Cl)cc2)nc(N2CCOCC2)n1 6745389 ZHTXNAQJYOIDPL-UHFFFAOYSA-N 421.889 1.628 0 50 HDAA CN(Cc1nccn1C)C(=O)C[C@@H]1C(=O)NCCN1Cc1ccccc1C(F)(F)F 11819207 IDNNVLDHQKMLPA-MRXNPFEDSA-N 423.439 1.788 0 50 HDAA COCCS(=O)(=O)c1ncc(CN(C)Cc2cnn(C)c2)n1Cc1ccccc1 11936639 XMVYEDUEDUSRKJ-UHFFFAOYSA-N 417.535 1.717 0 50 HDAA CC[C@H](C)CN1CCc2c(C(=O)OC)c(OCCN3CCCC3=O)cc(=O)n2CC1 12053852 SABSFZVMAREQFJ-INIZCTEOSA-N 419.522 1.540 0 50 HDAA O=C(c1cn(Cc2ccccc2F)nn1)N1CCC[C@@H](C(=O)N2CCOCC2)C1 12431339 AXCRSLBLJCDQLU-MRXNPFEDSA-N 401.442 1.177 0 50 HDAA COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 13122977 OLRITIIJKJLRJZ-HNMKQIAWSA-N 414.483 1.769 0 50 HDAA COc1ccc(-c2c3c(=O)n(CCN4CCOCC4)ccc3nc3ncnn23)cc1 38828748 GMIYEYFJACJQGT-UHFFFAOYSA-N 406.446 1.447 0 50 HDAA CN(C)S(=O)(=O)N1CCC[C@H](C(=O)NCCCN2CCCc3ccccc32)C1 72436855 UNRFKBVVKRIUTQ-SFHVURJKSA-N 408.568 1.464 0 50 HDAA Cc1ccc(CCN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N(C)Cc3nccn3C)[C@@H]4C2=O)cc1 77424949 KJSBPPBRPMWMNK-WWOUZDQESA-N 420.513 1.712 0 50 HDAA COCC(=O)N1CCC(Oc2ccc(C(=O)NCCc3nccn3C)cc2)CC1 95509090 XXBKKXOIKBFSLP-UHFFFAOYSA-N 400.479 1.409 0 50 HDAA Cc1cccc(CN2CCN(Cc3ccc(N4CCNC4=O)cc3)C[C@H]2CCO)n1 104473050 BUYFDNDXOVZQGT-JOCHJYFZSA-N 409.534 1.988 0 50 HDAA C[C@@H]1CO[C@H](CO)CN1C(=O)c1c[nH]nc1[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 225608055 YOPJPJJQLWEHLH-KFWWJZLASA-N 408.499 1.746 0 50 HDAA Cc1cc(NC(=O)CN2CCC[C@H]2CN2CCCCC2)n([C@H]2CCS(=O)(=O)C2)n1 250876878 MADSUZUXPMRULE-ROUUACIJSA-N 423.583 1.440 0 50 HDAA COc1cccc(C(=O)NC[C@@H]2CN(CC3CCN(CC4CC4)CC3)C(=O)CO2)c1 299800942 WJCXLGXUZDJHLG-OAQYLSRUSA-N 415.534 1.774 0 50 HDAA C[C@H](CNC(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1Cc1ccccc1)C(=O)O 485955112 JEWWFPWPHMBUQA-AUUYWEPGSA-N 409.442 1.337 0 50 HDAA COc1ccc(C(=O)N2CCO[C@H](CO)[C@H]2c2ccc(OC)c(OC)c2)cc1O 1529120005 QEAJAFXCLQGLPO-WOJBJXKFSA-N 403.431 1.993 0 50 HDAA COc1ccc(C(=O)N2CCO[C@H](CO)[C@H]2c2ccc(OC)c(OC)c2)c(OC)n1 1529152738 WCACIIZHNVNLKE-IEBWSBKVSA-N 418.446 1.691 0 50 HDAA CC(C)CCN1C[C@H]2CN(S(=O)(=O)c3ccc4c(c3)oc(=O)n4C)C[C@@]2(CO)C1 1772806021 XETPKCFSWPXCME-MGPUTAFESA-N 423.535 1.092 0 50 HDAA Cc1cnc(CN2C[C@H]3CN(CC(=O)Nc4ccc(C)c(F)c4)C[C@@]3(CO)C2)[nH]1 1772815624 WYOLRRUCGGDXJQ-HRAATJIYSA-N 401.486 1.530 0 50 HDAA Cc1cc2c(cc1C(=O)N[C@H]1CCC[C@H]3CN(C(=O)CN(C)C)C[C@@H]13)OCCO2 1857671958 ZNRKUDBZSDHGID-JQHSSLGASA-N 401.507 1.685 0 50 HDAA O=C1CN(C[C@H]2COCCN(C(=O)Cc3csc(-c4ccccc4)n3)C2)CCN1 1857709346 SBSRBTJDQZGJLV-MRXNPFEDSA-N 414.531 1.259 0 50 HDAA CCCCc1nc(C)cc(=NCCNC(=O)c2sc(N3CCOCC3)nc2C)[nH]1 1857724258 RTXOQVAAZGXBSH-UHFFFAOYSA-N 418.567 1.993 0 50 HDAA COc1ccc(C2(C(=O)N[C@H]3COC[C@H]3CS(=O)(=O)N(C)C)CCCC2)cc1 1940196254 VJUSCHWAFHSSMF-YJBOKZPZSA-N 410.536 1.530 0 50 HDAA COc1ccc([C@@H]2[C@@H](C(=O)NCC3(O)CCCCC3)OCC(=O)N2C2CC2)cc1 2100547321 FFRLGYSXLHEKBA-UXHICEINSA-N 402.491 1.938 0 50 HDAA COC(=O)CC[C@@H](NC(=O)c1ccc(I)cc1)C(=O)OC 2949367 GUIAUTJTUAVNMG-LLVKDONJSA-N 405.188 1.516 0 50 HDAA Cc1cc(N2CCOCC2)nc(N2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)n1 7451856 DZVWWLYRTNSWHU-UHFFFAOYSA-N 411.462 1.313 0 50 HDAA Cc1ccnn1CCC(=O)N1CC(=O)N(CC(C)C)C[C@@H](OCc2ccccn2)C1 14535203 LTHLHOKTMMLSAZ-HXUWFJFHSA-N 413.522 1.889 0 50 HDAA COc1ccccc1CN1CCc2nnc([C@H](C)NC(=O)C3CCOCC3)n2CC1 14883615 OPNLLMKCRNPEMB-INIZCTEOSA-N 413.522 1.949 0 50 HDAA COc1cccc(CN2CCNC(=O)[C@@H]2CC(=O)NC(C2CC2)C2CC2)c1OC 14974783 ONCDARGLSBKPEH-KRWDZBQOSA-N 401.507 1.699 0 50 HDAA CCS(=O)(=O)c1ncc(CN2CCN(CCOC)CC2)n1CCc1ccccc1 19333752 YKQKBUSXZRHEFO-UHFFFAOYSA-N 420.579 1.683 0 50 HDAA COc1ccc(CCN2C[C@@H](C(=O)N(C)CCN3CCOCC3)CCC2=O)cc1 20453858 DTTIVLHKSGKSRG-IBGZPJMESA-N 403.523 1.267 0 50 HDAA Nc1nn(-c2cc(C(=O)O)cc(S(=O)(=O)N3CCOCC3)c2)c2ccccc12 71405775 CZMZZALCZSPQEA-UHFFFAOYSA-N 402.432 1.327 0 50 HDAA COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)c1cc(C(C)C)no1)CC2 95503783 PJEIVIHRBJQRAP-UHFFFAOYSA-N 401.467 1.684 0 50 HDAA COCC(=O)N1CCC(Oc2ccc(C(=O)NCc3snnc3C)cc2)CC1 95512006 GSDRWLQWCVYDDM-UHFFFAOYSA-N 404.492 1.793 0 50 HDAA CNC(=O)Cc1ccc(NC(=O)CNC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)cc1 170594751 JKDXAAMDXORROX-MRXNPFEDSA-N 418.494 1.429 0 50 HDAA CC[C@@H](C)[C@H](N)C(=O)NC[C@H]1CC[C@H](C(=O)N[C@H](CCSC)C(=O)O)CC1 248026133 LTNCNCHCRIIRGR-QCODTGAPSA-N 401.573 1.605 0 50 HDAA biogenic Cn1cc(S(=O)(=O)N2C[C@H]3CCC[C@@]3(c3nc(CC4CC4)no3)C2)cc1C(N)=O 328602730 COGPMOGYZUYEFV-BFUOFWGJSA-N 419.507 1.202 0 50 HDAA O=C1CN(CCNC(=O)NCC2(c3cc(F)cc(C(F)(F)F)c3)CC2)CCN1 443162335 PRBVJMNZQCZCSQ-UHFFFAOYSA-N 402.392 1.607 0 50 HDAA Cc1n[nH]c(C)c1CCCNC(=O)NCc1cc2n(n1)CCN(C(=O)C(C)C)C2 534666199 RONAPEFAMAQTGX-UHFFFAOYSA-N 401.515 1.653 0 50 HDAA COC[C@@H]1CN(c2ncnc3c2ncn3C[C@@H](CO)[C@@H]2CCOC2)CC(C)(C)O1 824372053 DCFKJLMYGGQYJG-PMPSAXMXSA-N 405.499 1.102 0 50 HDAA CCc1ccc(N2C[C@H](C(=O)N3CCCC[C@H]3CCNS(C)(=O)=O)CC2=O)cc1 918639967 LCZMWASPGLXOKC-MSOLQXFVSA-N 421.563 1.922 0 50 HDAA COCCN1C[C@]2(CCCN(C(=O)c3cc(CC(C)C)nc(N)n3)C2)CCC1=O 1506417337 QARBUMDNOHKZGY-NRFANRHFSA-N 403.527 1.749 0 50 HDAA CC(C)Oc1ccc(N2C[C@@H](C(=O)N3CCC(CO)(CN(C)C)CC3)CC2=O)cc1 1772704299 SPBVNUXXEOCSMT-SFHVURJKSA-N 417.550 1.989 0 50 HDAA CNC(=O)c1ccc(N2CCC[C@]3(CCc4c(O)nc(-c5cccnc5)nc43)C2)nn1 1857671533 ZWXYXJKCCKGYAL-QFIPXVFZSA-N 417.473 1.878 0 50 HDAA O=C(O)c1cc2c(c(S(=O)(=O)N[C@@H](CCc3ccccn3)C(=O)O)c1)CCC2 1875350861 CQWMMOWHIQXAGZ-INIZCTEOSA-N 404.444 1.633 0 50 HDAA CCC[C@@]1(CO)CN(C(=O)CCSc2nnc(-c3ccncc3)n2C)CC[C@@H]1O 2100556149 FHBHPUQFVMWHDD-JXFKEZNVSA-N 419.551 1.731 0 50 HDAA COc1ccc2c(c1)[C@@H](C)CN(C(=O)[C@@H]1Nc3ccccc3S(=O)(=O)N1)CC2 2325749409 BOAJORALTWORDI-ORAYPTAESA-N 401.488 1.914 0 50 HDAA O=C1N[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)c2cccnc2)[C@@](O)(C(F)(F)F)N1 4269938 NGXKDHNDHYWXGJ-JJRVBVJISA-N 409.320 1.914 0 50 HDAA CN(Cc1nc2ccccc2s1)C(=O)CCCn1nnnc1CN1CCOCC1 15066044 BZZBULVTRXFLGZ-UHFFFAOYSA-N 415.523 1.554 0 50 HDAA Cc1noc(C)c1S(=O)(=O)N1CCC(c2n[nH]c(=O)n2-c2ccccc2)CC1 67818576 NVUWPHHFRFULNN-UHFFFAOYSA-N 403.464 1.734 0 50 HDAA CS(=O)(=O)CC[C@H](c1nc(-c2ccccn2)no1)N1C(=O)c2ccccc2C1=O 225525974 BXXJFYKCAYOECE-OAHLLOKOSA-N 412.427 1.904 0 50 HDAA COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)OCCNC(=O)OC(C)(C)C)cc1 225665036 XKPUKSHQLGIPEF-LBPRGKRZSA-N 402.469 1.430 0 50 HDAA CC(=O)O[C@@H]1O[C@H](C)[C@H](OCOCC[Si](C)(C)C)[C@H](OC(C)=O)[C@H]1OC(C)=O 257359212 ZALSECPGTHUQES-AJAORCOTSA-N 420.531 1.855 0 50 HDAA Cn1nccc1CN1CCC(N2C[C@H](COc3ccc(F)cc3)OCC2=O)CC1 299759549 UNDLJSQZIKCJOB-HXUWFJFHSA-N 402.470 1.830 0 50 HDAA Cc1nn(-c2ccc(F)cc2)c(C)c1CNS(=O)(=O)[C@@H]1CCS(=O)(=O)C1 670435464 MABJNGGFLKUGOR-OAHLLOKOSA-N 401.485 1.235 0 50 HDAA CCCCN1C[C@H]2CN(c3nc(N)c4cc(OC)c(OC)cc4n3)C[C@@]2(CO)C1 1772805453 LBCCIASQDZSOGV-LHSJRXKWSA-N 401.511 1.760 0 50 HDAA Cc1nonc1C(=O)N1C[C@H]2CN(Cc3ccccc3F)C[C@@]2(CCC(=O)O)C1 1772809604 AXVMETLEXRJFOU-QRWLVFNGSA-N 402.426 1.956 0 50 HDAA COc1ccccc1CN1CCN(C(=O)[C@@H]2CC(=O)N(c3nccs3)C2)CC1 1857667835 DZBZBVDJCDXEFN-MRXNPFEDSA-N 400.504 1.849 0 50 HDAA CCN1CCO[C@H](CNC(=O)N2CCN([C@@H](CO)c3cccc(Cl)c3)CC2)C1 1875261832 FTHUOFTVWQEOTE-MOPGFXCFSA-N 410.946 1.421 0 50 HDAA C[C@H](c1ccccc1)N1C[C@H](C(=O)NS(=O)(=O)c2cnc3ccccn23)CC1=O 2325819804 QGNZFDOORBPTIY-GDBMZVCRSA-N 412.471 1.749 0 50 HDAA CC(C)(C)OC(=O)N1CCC[C@@H](c2c[nH]nc2C(=O)NCc2cc(O)nc(O)n2)C1 2325878290 KEOLCDHHXJXLGN-LLVKDONJSA-N 418.454 1.655 0 50 HDAA O=C([C@H]1C[C@H]2CCCN2[C@]12C(=O)Nc1ccccc12)N1CCC(c2nc[nH]n2)CC1 2356143092 UWQGZVXFURIDEQ-JLDZCNIISA-N 406.490 1.843 0 50 HDAA CC(C)CN1CCNC(=O)[C@@H]1CC(=O)N1CCN(c2ncnc3ccccc23)CC1 12718274 UQICUSSEVIQMCU-IBGZPJMESA-N 410.522 1.125 0 50 HDAA COCCCn1c(CN(C)Cc2nonc2C)cnc1S(=O)(=O)C1CCCC1 20451813 IFQIILLTRLODPZ-UHFFFAOYSA-N 411.528 1.959 0 50 HDAA CCOc1ccc(-c2cc3c(=O)n(CCNC(=O)c4cnccn4)ccn3n2)cc1 169775693 LXFGNWQAWGDROQ-UHFFFAOYSA-N 404.430 1.782 0 50 HDAA O=C(OCCN1C(=O)c2ccccc2C1=O)[C@@H]1CC=CC[C@H]1C(=O)N1CCOCC1 253417982 HYHXMSYHBNRYSJ-QZTJIDSGSA-N 412.442 1.267 0 50 HDAA COC(=O)[C@@H](NCC(=O)Nc1ccc(S(N)(=O)=O)cc1)c1ccc(F)c(C)c1 466950160 SOAOETOEBVTVFM-KRWDZBQOSA-N 409.439 1.224 0 50 HDAA Cc1ccc(Nc2cccc(C(=O)O[C@@H](C)C(=O)N3CCC[C@H](C(N)=O)C3)c2)nn1 736876497 JWLHIINQJOYNDZ-HOCLYGCPSA-N 411.462 1.798 0 50 HDAA O=C(COc1cccc(C(=O)N2C[C@]3(C(=O)O)C[C@]3(C(=O)O)C2)c1)N1CCCCC1 1704305993 SWNUAEVHQKSGDO-OYRHEFFESA-N 416.430 1.079 0 50 HDAA CCN1CC(=O)N2[C@H](c3ccc(OC)cc3)[C@H](C(=O)N3CCC(O)CC3)C[C@@H]2C1 1857707415 RICQYZVGKKAKGC-OZOXKJRCSA-N 401.507 1.272 0 50 HDAA CCc1n[nH]cc1C(=O)N1[C@H]2CC[C@@H]1C[C@@H](N(C)C(=O)[C@H]1C[C@@H](n3cnnc3)C1)C2 2325872750 LLBGHACUNAIDKX-FHORWPOSSA-N 411.510 1.809 0 50 HDAA CC(C)C[C@H](N)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O 4556816 UCNNZELZXFXXJQ-KSZLIROESA-N 407.511 1.408 0 50 HDAA biogenic O=C(NCCCn1ccnc1)c1nc(CS(=O)(=O)c2ccc(Cl)cc2)no1 4625941 JVOZLGNNXIQZAI-UHFFFAOYSA-N 409.855 1.714 0 50 HDAA COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NCc2csc(C)n2)c(F)c1 12204823 UPMBSRNMRUGUGO-QGZVFWFLSA-N 406.483 1.606 0 50 HDAA COc1cc(CNCCCn2cccn2)ccc1OC[C@@H](O)CN1CCC(O)CC1 14975318 XGKUEZDAKQOQAY-FQEVSTJZSA-N 418.538 1.268 0 50 HDAA O=C1CC[C@@H](C(=O)N2CCc3c([nH]c4ccccc34)C2)CN1CCN1CCOCC1 23337306 HCRLNXFHUZZKLW-QGZVFWFLSA-N 410.518 1.623 0 50 HDAA NC(=O)[C@H]1CCCN(C(=O)c2coc(CN3CCN(c4ccccc4F)CC3)n2)C1 55386464 IZJGBORDYCWALK-HNNXBMFYSA-N 415.469 1.473 0 50 HDAA O=C(CN1C(=O)CSC1=O)N1CCC[C@@H](N2CCN(c3ccccc3)CC2)C1 55576186 OYJXUBFTBXOZOS-QGZVFWFLSA-N 402.520 1.495 0 50 HDAA O=C([C@H](O)C1CCCCC1)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CC1 95511552 MESLWSUERQRBQY-GOSISDBHSA-N 400.523 1.963 0 50 HDAA Cn1ccnc1N1CCC(NC(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)CC1 225467531 ALRWFCAUYRHQIQ-UHFFFAOYSA-N 403.508 1.141 0 50 HDAA CS(=O)(=O)c1ccc(N[C@H]2CCCN(CC(F)(F)F)C2)c(S(C)(=O)=O)c1 253428309 JBKUBLMMARTWLW-NSHDSACASA-N 414.471 1.932 0 50 HDAA O=C(N[C@@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1)C1CCS(=O)(=O)CC1 466327215 XFKJMQTWCUWCGW-CQSZACIVSA-N 418.437 1.747 0 50 HDAA Cc1cc(C)n(Cc2ccc(C(=O)NC[C@H]3CCCN(S(C)(=O)=O)C3)cc2)n1 952972524 DGVXLSCKQWOSMG-GOSISDBHSA-N 404.536 1.950 0 50 HDAA CN(C)C(=O)CN1CC2(CCN(c3ccc(C(F)(F)F)cn3)CC2)OCCC1=O 1704337775 ZJEWMNGXQZGJIH-UHFFFAOYSA-N 414.428 1.777 0 50 HDAA COc1ccccc1S(=O)(=O)N1C[C@@H]2CN(CCc3ccccc3)C[C@]2(CO)C1 1772804384 NUZUBCISHZDKGR-SIKLNZKXSA-N 416.543 1.853 0 50 HDAA O=C1CO[C@@H](COc2ccc(F)cc2)CN1C1CCN(C[C@@H]2[C@H]3CNC[C@H]32)CC1 1857678231 JDBPGSHMERMMKD-CGXNFDGLSA-N 403.498 1.362 0 50 HDAA C[C@@H](O)Cc1cn(Cc2ccc(C(=O)N3CCN(Cc4ccccc4)CC3)o2)nn1 1875318149 NPKNNKPNDYZDJW-QGZVFWFLSA-N 409.490 1.801 0 50 HDAA O=C(CN1CCCNC1=O)NC[C@]12CCC[C@H]1CN(C(=O)c1occ3c1CCC3)C2 1875329813 FEHYAGICXIWWNC-AOMKIAJQSA-N 414.506 1.542 0 50 HDAA CC(C)[C@H](CNC(=O)C[C@H]1CCC(=O)NC1)NC(=O)CNc1cccc(Cl)c1 1875345304 VSRSUBPTQWZFEG-PBHICJAKSA-N 408.930 1.925 0 50 HDAA CCn1c(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)nnc1-c1ccccn1 2397900 NBPGYQBMGZVLMW-UHFFFAOYSA-N 418.504 1.738 0 50 HDAA Cc1cc(C)n(-c2cccc(CN(C)C(=O)Cn3nnnc3CN3CCCC3)c2)n1 11934696 MHGUHBSVRJLWMF-UHFFFAOYSA-N 408.510 1.730 0 50 HDAA Cc1nc(CO[C@H]2CN(Cc3ccc4c(c3)CCO4)CC(=O)N(C(C)C)C2)no1 14542078 VENYWLMOEBYGKG-SFHVURJKSA-N 400.479 1.951 0 50 HDAA COc1ccc(C[C@@H]2NC(=O)[C@@H]3C[C@H](NCc4cc(F)ccc4F)CN3C2=O)cc1 14740733 XRDPJZCRISQRFM-VDGAXYAQSA-N 415.440 1.774 0 50 HDAA CN(C)S(=O)(=O)N(CC(=O)N1CCN(Cc2ccccc2)CC1)c1ccccc1 20029391 HAMQYBVUEOSINR-UHFFFAOYSA-N 416.547 1.644 0 50 HDAA CCN1CCN([C@@H](C)CNC(=O)c2cc(-c3ccc4c(c3)OCCO4)on2)CC1 32594179 RGAUIZHBNBNMLP-HNNXBMFYSA-N 400.479 1.869 0 50 HDAA Cc1ccc(CNS(=O)(=O)c2ccc3c(c2)CN(C(=O)c2ccnn2C)CC3)o1 77356910 SYWDVFXDSPSPAU-UHFFFAOYSA-N 414.487 1.999 0 50 HDAA COc1cccc(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N(C)Cc3cnn(C)c3)[C@@H]4C2=O)c1 77472368 NOEUQOXJKAONQO-VAWZGJIGSA-N 422.485 1.369 0 50 HDAA CN(C)c1ncc(CNC(=O)CCn2cnc3sc4c(c3c2=O)CCCC4)cn1 170595733 VKLSWQMQZPHCDM-UHFFFAOYSA-N 412.519 1.899 0 50 HDAA CCOC(=O)C1CCC(O)(CN2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)CC1 225440599 WMTBGAXYFSDVHR-UHFFFAOYSA-N 418.490 1.658 0 50 HDAA Cc1nnc(CN2CCC(N3C[C@H](COc4ccc(F)cc4)OCC3=O)CC2)n1C 299763211 ZAKOWUKTQKCUKY-LJQANCHMSA-N 417.485 1.533 0 50 HDAA CCCCN1C(=O)CC[C@H](C(=O)N[C@H]2CCC(=O)NC2=O)[C@H]1c1ccccc1OC 435982926 NFBVWTYFKXXZAB-TWOQFEAHSA-N 415.490 1.696 0 50 HDAA Cc1ccc(C(=O)N2CCC(NS(=O)(=O)N3CCC[C@@H](C(=O)O)C3)CC2)cc1 670456216 UONVARYIJHBPDD-MRXNPFEDSA-N 409.508 1.231 0 50 HDAA CS(=O)(=O)CC[C@@H](NC(=O)c1ccccc1Cl)C(=O)NOC1CCCC1 774870819 ZVWJUHXYRCXJTJ-OAHLLOKOSA-N 402.900 1.864 0 50 HDAA COCCN1C[C@H](C(=O)NC23C[C@@H]4C[C@H](C2)CC(n2cncn2)(C4)C3)CCC1=O 952985382 BFRYYDRNOFRWGB-LNYVXCIOSA-N 401.511 1.327 0 50 HDAA O=C(c1cncc(NC2CCN(S(=O)(=O)c3ccccc3)CC2)n1)N1CCCC1 1704300425 VPZJIOAWUXVRLT-UHFFFAOYSA-N 415.519 1.978 0 50 HDAA CCn1cc(CN2CCC3(CC2)OCC[C@@](C)(NC(=O)c2ccccn2)[C@@H]3O)cn1 1772701209 JNRASAAKGSLFHO-LEWJYISDSA-N 413.522 1.603 0 50 HDAA CCOC(=O)[C@@]12CC[C@H](N3CCOCC3)C[C@H]1CCN(C(=O)c1cnn(CC)c1)C2 1857681878 CYUOFNMTDXTOLC-XQBPLPMBSA-N 418.538 1.799 0 50 HDAA O=C([C@H]1CCCO1)N1CCC2(CCc3c2nc(-c2ccccc2)[nH]c3=NCCO)CC1 1857683229 SPLQQRYIJPXPHS-LJQANCHMSA-N 422.529 1.955 0 50 HDAA O=C(O)c1cc2c(s1)CCOC21CCN(C(=O)CCn2ccc(O)nc2=O)CC1 1857690288 FPJFREZJPVBHFW-UHFFFAOYSA-N 419.459 1.189 0 50 HDAA Cc1nc([C@@H](N)C(C)C)n(CC(=O)NCCc2csc(-c3ncccn3)n2)n1 1857690530 MLIRHRCRSYSBNR-HNNXBMFYSA-N 400.512 1.515 0 50 HDAA CO[C@@H]1C[C@@H](CNC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)N(C(=O)[C@H]2C[C@@H](n3cnnc3)C2)C1 2325873065 XTHKVZTZQWZHGB-HYNSEMIWSA-N 413.522 1.564 0 50 HDAA CCn1ncc(C(=O)NC)c1NC(=O)CCCn1nnc(-c2ccc(F)cc2)n1 2356162994 OPPSCFFEJQILIJ-UHFFFAOYSA-N 400.418 1.474 0 50 HDAA O=C(C[C@H]1NCCC[C@@H]1O)Cn1cnc2cc(Br)c(Cl)cc2c1=O 5784191 LVASCWIMLIKXLA-CABCVRRESA-N 414.687 1.885 0 50 HDAA endogenous,investigational COC(=O)C1=C(C)N=c2s/c(=C/c3cccnc3)c(=O)n2[C@H]1c1ccc(OC)cc1 8637249 GIRAYBXADBCHMC-OXRZLYTFSA-N 421.478 1.812 0 50 HDAA COC(=O)Cn1c(=O)c2c(nc3n(CCc4ccccc4)c(C)c(C)n23)n(C)c1=O 8654389 MMTDLHFNFQFJNI-UHFFFAOYSA-N 409.446 1.182 0 50 HDAA Cc1cc(C(=O)NCCN2CCOCC2)ccc1NS(=O)(=O)c1ccccc1 13678721 LROUOUKOSZSDJB-UHFFFAOYSA-N 403.504 1.858 0 50 HDAA COc1ccc(CN2C[C@@H](CN3CCOCC3)C[C@@H](C(=O)NC3CC3)C2)cc1OC 14733021 OBPMJMYCBCCIHN-RTBURBONSA-N 417.550 1.753 0 50 HDAA Cn1cccc(C(=O)N2CCC3(CC2)CN(CCOc2ccccc2)C(=O)O3)c1=O 77287976 CXGGGRMBOVQOQR-UHFFFAOYSA-N 411.458 1.891 0 50 HDAA CC(C)S(=O)(=O)N1CCC(N2CCC[C@H](C(=O)NCc3cccnc3)C2)CC1 82137311 GRAYLYZEMCQWKF-SFHVURJKSA-N 408.568 1.612 0 50 HDAA O[C@@H](COc1cccc(CN2CCC(c3ncon3)CC2)c1)CN1CCOCC1 95517006 HOGKCDDZEDEESY-LJQANCHMSA-N 402.495 1.521 0 50 HDAA Cc1nc(-c2c3n(c(=O)n(CC(=O)NCc4cccs4)c2=O)CCCCC3)no1 169764026 DHQCNQSGZQCNPR-UHFFFAOYSA-N 415.475 1.473 0 50 HDAA CCOc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H]3C(=O)NCC[C@H]3C)CC2)cc1 225658500 ADCQNXIQIGFVPO-KDOFPFPSSA-N 423.535 1.127 0 50 HDAA C[C@@H]1OCC[C@]1(O)CNC(=O)CSCc1nc2sc3c(c2c(=O)[nH]1)CCCC3 225723783 MOWVUDVGXFPHLU-WLRWDXFRSA-N 423.560 1.753 0 50 HDAA COc1ccc([C@@H]2N[C@H](C(=O)O)[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]23)c(OC)c1 226985349 JYDYUWDJAHMVGI-BDXSIMOUSA-N 414.389 1.746 0 50 HDAA COCc1n[nH]c([C@@H](Cc2ccccc2)n2cc(C(=O)OC)c3n[nH]c(=O)c-3c2)n1 263588882 ZKICNPRJTDCKGK-OAHLLOKOSA-N 408.418 1.559 0 50 HDAA OC[C@H]1CCCN(CCNCc2ccccc2OCCCCN2CCOCC2)C1 952982359 LCXNUCLBAVSQAJ-NRFANRHFSA-N 405.583 1.972 0 50 HDAA CSc1ccccc1C(=O)N1C[C@@H]2CN(C(=O)c3cccc(N)n3)C[C@@]2(CO)C1 1772703270 ZYAMIXNGPUGWLB-SPLOXXLWSA-N 412.515 1.592 0 50 HDAA CC(=O)c1ccc(N2C[C@H]3CN(C(=O)C4CCOCC4)C[C@@]3(CN(C)C)C2)nc1 1772808721 ZNOFMOHMLACEBU-SIKLNZKXSA-N 400.523 1.537 0 50 HDAA CN(C)S(=O)(=O)N1C[C@@H]2CN(Cc3ccc(Cl)cc3)C[C@@]2(CCC(=O)O)C1 1772817285 AYEGPYPCMNDBBU-YJBOKZPZSA-N 415.943 1.745 0 50 HDAA Cc1nsnc1C(=O)N1Cc2nnc(C3CCOCC3)n2[C@H](Cc2cnc[nH]2)C1 1775980044 RNKQDBXWRJFBGW-CQSZACIVSA-N 414.495 1.495 0 50 HDAA CCOC(=O)[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CCN(c1cncc(C(=O)O)n1)C2 1857686483 YLMXGTCZKLTYHG-WHSLLNHNSA-N 418.494 1.435 0 50 HDAA COc1cccc(CC(=O)N2CCO[C@@H](CN3CCOCC3)[C@@H]2c2cccnc2)c1 1857720389 RKIPQOWUHAUIDO-GMAHTHKFSA-N 411.502 1.934 0 50 HDAA C=CC(=O)NCC1(c2ccccc2)CCN(C(=O)Cn2nnc(C(C)(C)C)n2)CC1 1875385964 GDBXJAHSWPKWRK-UHFFFAOYSA-N 410.522 1.833 0 50 HDAA CCc1cc(C(=O)N2CCC3(CCc4c(O)nc(N5CCOCC5)nc43)CC2)n[nH]1 1940197116 SOFAHAWYPBDASP-UHFFFAOYSA-N 412.494 1.425 0 50 HDAA CC(C)n1nccc1NC(=O)N1CCN(C(=O)Nc2ccnn2C(C)C)CC(O)C1 2325706423 JMUCQMMGFSNNPW-UHFFFAOYSA-N 418.502 1.984 0 50 HDAA O=C(N[C@H]1CC(=O)N(CC(F)(F)F)C1)C(=O)N[C@H]1C[C@H](c2ccc(Cl)cc2)C1 2325729835 XPXMQJWUDNVBCG-UBHSHLNASA-N 417.815 1.982 0 50 HDAA NC(=O)C1CCN(C(=O)[C@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)CC1 784999 BQCWTSVRDIGUHV-IBGZPJMESA-N 405.454 1.618 0 50 HDAA COc1ccc(-c2cn3c4c(=O)n(C)c(=O)n(C)c4nc3n2Cc2ccccn2)cc1 1087848 UBCRRGWRFBTMRV-UHFFFAOYSA-N 416.441 1.805 0 50 HDAA biogenic,in-vitro COc1ccc(S(=O)(=O)NCCO)cc1-c1nnc2c3ccccc3c(C)nn12 2453359 PIFZQEHWIZAQNF-UHFFFAOYSA-N 413.459 1.532 0 50 HDAA Cc1cc(S(=O)(=O)NCC(C)C)ccc1OCC(=O)N1CCC(C(N)=O)CC1 2871197 AKXLHCXXDOIVCC-UHFFFAOYSA-N 411.524 1.032 0 50 HDAA C[C@H]1Cc2cc(S(=O)(=O)N3CCOCC3)ccc2N1S(=O)(=O)c1ccccc1 10119289 YKZVCCHVSKZGNN-HNNXBMFYSA-N 422.528 1.847 0 50 HDAA CCN(C[C@H]1CCCO1)C(=O)C[C@@]1(c2ccccc2F)CC(=O)N(CCOC)C1=O 11872331 ODZHTJKDZUCZFC-ZHRRBRCNSA-N 420.481 1.886 0 50 HDAA O=C(NCCCN1CCOCC1)c1cccc(S(=O)(=O)Nc2ccccc2)c1 16607528 PNEZECIBIWPGRG-UHFFFAOYSA-N 403.504 1.940 0 50 HDAA O=C(CCCCC(=O)N/N=C\c1ccc(O)cc1O)NN=Cc1ccc(O)cc1O 16666949 VTFWQVMCGXXZDV-YRVVJODMSA-N 414.418 1.670 0 50 HDAA Cc1ccc(CCC(=O)N2CCN(CCn3cc(C(=O)NC(C)C)nn3)CC2)cc1 19839844 XRETUWNTISEVIY-UHFFFAOYSA-N 412.538 1.502 0 50 HDAA CCN1CCN(c2ccc(F)cc2[C@H](C)NC[C@H]2CCN(S(C)(=O)=O)C2)CC1 225771680 DQVISVZOCKKQRM-DLBZAZTESA-N 412.575 1.900 0 50 HDAA COc1ccccc1O[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@H](O)[C@H]1NC(C)=O 239274614 ALKOZBGCSKIQAN-YGBDOONVSA-N 415.442 1.779 0 50 HDAA Cc1nc2cc(CNC(=O)C3CCN([C@@H]4CCS(=O)(=O)C4)CC3)ccc2n1C 827758271 GIQVHZKRZWXOOK-QGZVFWFLSA-N 404.536 1.397 0 50 HDAA O=C(Cn1nnnc1[C@H](c1ccccc1)N1CCOCC1)N1CCc2ccccc2C1 827972649 BSONYTHBMZQTJS-QFIPXVFZSA-N 418.501 1.680 0 50 HDAA COC[C@H]1CCCN(S(=O)(=O)NC23C[C@H]4C[C@@H](C2)CC(n2cncn2)(C4)C3)C1 1506417743 BJYBUDBBZJBUHZ-UPMGZUDPSA-N 409.556 1.519 0 50 HDAA COc1cc(CN2C[C@H]3CN(C(=O)c4cccc(O)n4)C[C@@]3(CO)C2)ccc1F 1772804425 OVMDYCFSKCUKQA-YCRPNKLZSA-N 401.438 1.501 0 50 HDAA Cc1ccc(-c2ccnc(N3CC[C@H](O)[C@H](NC(=O)C4CCOCC4)C3)n2)c(C)n1 1857679728 RRQQZURNQCWCGE-UXHICEINSA-N 411.506 1.638 0 50 HDAA Cc1nc(O)c2c(n1)[C@]1(CCCN(S(=O)(=O)c3cccc(C(=O)O)c3)C1)CC2 1857714482 VPDBBJHTJCKVKV-LJQANCHMSA-N 403.460 1.858 0 50 HDAA COCCn1nnc([C@@H]2CN(C(=O)c3cc4cccc(Cl)c4n3C)CCO2)n1 1857739481 LKZZFAIUKCBQMK-HNNXBMFYSA-N 404.858 1.678 0 50 HDAA CCCO[C@@H]1C[C@@H](C(=O)NCc2ncc[nH]2)CC[C@H]1NC(=O)c1cncnc1C 1875248537 WLOGDQJAQZAMLE-USXIJHARSA-N 400.483 1.518 0 50 HDAA CC[C@H](C(=O)NCc1ccccc1OCc1cn([C@H](C)C(=O)O)nn1)n1ccnc1 1875357050 ZDNDNGOISZRLCI-RHSMWYFYSA-N 412.450 1.967 0 50 HDAA O=C1CO[C@H](C(=O)N2CCN(c3ncccn3)CC2)[C@@H](c2ccccc2Cl)N1 1940196015 CQKPTWFOTJHVPB-SJORKVTESA-N 401.854 1.035 0 50 HDAA Cc1ncn(-c2ccc(NC(=O)[C@H]3CC4(CCS(=O)(=O)CC4)CN3)cc2)c1C 2325840806 RLZCJVSSRRBLRV-GOSISDBHSA-N 402.520 1.985 0 50 HDAA O=C1c2ccc(-c3nc4ccccc4c(=O)o3)cc2C(=O)N1c1c[nH]c(=O)[nH]c1=O 1234955 DFHPOWKMEAHOKE-UHFFFAOYSA-N 402.322 1.032 0 50 HDAA COc1ccc(CCNC(=O)CN(CCc2ccccc2)S(C)(=O)=O)cc1OC 2865947 GXAOLORNAVKNKA-UHFFFAOYSA-N 420.531 1.867 0 50 HDAA CC1CCN([C@H]2CC(=O)N(c3ccc(S(=O)(=O)N4CCOCC4)cc3)C2=O)CC1 4903192 LITMOHOBEYXEOL-SFHVURJKSA-N 421.519 1.071 0 50 HDAA O=C(NCCc1nnc2n1CCN(Cc1ccc3c(c1)OCO3)CC2)c1ccco1 11872743 OGFOXFVZUOHRFL-UHFFFAOYSA-N 409.446 1.631 0 50 HDAA O=C(Nc1ccccc1)N[C@H]1C[C@H]2C(=O)N[C@@H](COCc3ccccc3)C(=O)N2C1 14536548 SMDNKRGNOSGKBK-FHWLQOOXSA-N 408.458 1.493 0 50 HDAA CCn1nc(C)c(CNC(=O)C[C@@H]2C(=O)NCCN2CCCc2ccccc2)c1C 14959038 DJZHEURKRBHOIO-OAQYLSRUSA-N 411.550 1.959 0 50 HDAA Cc1ccc(-c2nn(C)c(=O)c3ccccc23)cc1S(=O)(=O)N1CCN(C)CC1 34847926 CCSHWCKAUYDCJN-UHFFFAOYSA-N 412.515 1.845 0 50 HDAA CNc1nc2c(c(C(=O)N3CCCC3)n1)CN(C(=O)[C@H]1CC(C(C)C)=NO1)CC2 95390294 UFMCOHPTWIQSCJ-MRXNPFEDSA-N 400.483 1.440 0 50 HDAA COC(=O)C[C@H](c1ccc(C(=O)O)cc1)c1oc(CN2CCOCC2)cc(=O)c1O 217734144 BBQCRPPYGCFNBK-MRXNPFEDSA-N 417.414 1.571 0 50 HDAA biogenic CC[C@@H]1CN(C(=O)NC2CCN(C3CCN(C)CC3)CC2)[C@H](CC)CN1C(C)=O 473028100 QVLQIOYXUUXUKU-WOJBJXKFSA-N 407.603 1.976 0 50 HDAA Cc1ncnc(N2CCN(S(=O)(=O)c3ccc4oc(=O)n(C)c4c3)CC2)c1C 952975173 HPUHKTRLMMDMRW-UHFFFAOYSA-N 403.464 1.049 0 50 HDAA O=C1C[C@@H](C(=O)N2CCC3(CC2)Nc2ccccc2NC3=O)CN1Cc1ccncc1 952987529 FBQRCDMJFAADGZ-QGZVFWFLSA-N 419.485 1.856 0 50 HDAA COc1ccc([C@@H]2[C@@H](CO)OCCN2C(=O)Cc2c(C)nc(C)nc2O)cc1OC 1529195875 OWDWOKAKYFOJJU-UYAOXDASSA-N 417.462 1.320 0 50 HDAA CN1CC2(CCN(S(=O)(=O)c3ccc(N4CCCCC4=O)cc3)CC2)OCC1=O 1772804076 FJURWFMBOATFFK-UHFFFAOYSA-N 421.519 1.215 0 50 HDAA CN1CC[C@]2(C(=O)NC3CCOCC3)CCCN(C(=O)Cc3cccnc3)[C@H]2C1 1772806450 YKAOMVUUXXNMPA-SIKLNZKXSA-N 400.523 1.232 0 50 HDAA CCCCN1C[C@H]2CN(C(=O)c3ccc(N(C)S(C)(=O)=O)cc3)C[C@]2(CO)C1 1772812805 QWLFSNQNCXUMJE-PXNSSMCTSA-N 409.552 1.249 0 50 HDAA Cc1nonc1CNC(=O)[C@@]12CCCN(Cc3c(C)noc3C)[C@H]1CN(C)CC2 1857676112 ONBITPJBBZHPGB-AZUAARDMSA-N 402.499 1.586 0 50 HDAA CCCO[C@@H]1C[C@@H](C(=O)NCCc2ncc[nH]2)CC[C@H]1NC(=O)c1cc(C)no1 1875247100 QNNAKMSYFMYLEC-ARFHVFGLSA-N 403.483 1.759 0 50 HDAA C[C@H](NC(=O)CN(C)C1=NS(=O)(=O)c2ccccc21)[C@H](O)c1c(F)cccc1F 2325747306 FERIAMZXATWWNM-VOJFVSQTSA-N 423.441 1.584 0 50 HDAA OC[C@@H]1O[C@H](Nc2ccc(-c3ccc(N[C@@H]4C[C@H](O)[C@H](CO)O4)cc3)cc2)C[C@@H]1O 4042227 ZFHIYGZRUYXRLI-WLNPFYQQSA-N 416.474 1.114 0 50 HDAA COCCNC(=O)c1cn([C@@H]2CCCN(C(=O)Cc3cccc(Cl)c3)C2)nn1 11813879 LZBZLCIGIBXWLT-MRXNPFEDSA-N 405.886 1.714 0 50 HDAA Cc1cc(C(F)(F)F)nc(CCNC(=O)C[C@@H]2C(=O)NCCN2C2CCCC2)n1 11947744 JJLIIDLDIDSEJP-CQSZACIVSA-N 413.444 1.596 0 50 HDAA O=C(/C=C/c1ccccc1Cl)NCCCn1cc(C(=O)N2CCOCC2)nn1 12450494 OFYHQPOJVUMOQL-VOTSOKGWSA-N 403.870 1.624 0 50 HDAA O=C(C[C@H]1C(=O)NCCN1Cc1ccccc1C(F)(F)F)NCCn1cccn1 55100315 RUDRXEHPKNYSNC-INIZCTEOSA-N 409.412 1.409 0 50 HDAA C[C@@H]1Cc2ccccc2N1CC(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 252444135 AWVSOCMHFSMXPK-VGOFRKELSA-N 421.497 1.948 0 50 HDAA CC[C@H](C)[C@@H](CO)NC(=O)CC[C@H]1N=C(O)N(CCc2ccc(OC)cc2)C1=O 252536983 KBJZBAUKNHDOPE-BMGDILEWSA-N 405.495 1.666 0 50 HDAA CNS(=O)(=O)CCNC(=O)[C@H]1CCCC[C@H]1C(=O)Nc1ccc(Cl)cc1 952873411 WORXTXULCADEFP-LSDHHAIUSA-N 401.916 1.750 0 50 HDAA COc1cccc([C@H](C(=O)O)N2CCCN(S(=O)(=O)N3CCCCC3)CC2)c1 1506400214 VGVPRGRJZWWVRP-GOSISDBHSA-N 411.524 1.559 0 50 HDAA CCOCC(=O)N[C@]1(C)CCOC2(CCN(C(=O)c3ccc(O)c(F)c3)CC2)[C@H]1O 1704303891 LAWPLCUBSAVERS-VQTJNVASSA-N 424.469 1.199 0 50 HDAA O=C(c1cncc(N2CCN3C(=O)OC[C@@]3(Cc3ccccc3)C2)n1)N1CCCC1 1857689820 ZBNREQKIGGPCFL-JOCHJYFZSA-N 407.474 1.966 0 50 HDAA Cn1nc(C(F)(F)F)cc1CC(=O)N1CC[C@H]2CN(C(=O)C(F)(F)F)C[C@@H]2C1 1875330543 SIGWOZQLTCDRKU-UWVGGRQHSA-N 412.334 1.851 0 50 HDAA CCCO[C@H]1C[C@@H](C(=O)N(C)Cc2ccon2)CC[C@@H]1NC(=O)Cc1cc[nH]n1 2100477257 XDVXPLYJOFZHMI-WBAXXEDZSA-N 403.483 1.679 0 50 HDAA O=C1CCN(c2ccccc2C(=O)N2CC[C@](O)(c3ccccc3)[C@@H](O)C2)C(=O)N1 2356143918 CMLYNJXISQHBFU-AVRDEDQJSA-N 409.442 1.228 0 50 HDAA CN(C)c1ncc2c(n1)[C@]1(CCCN(C(=O)c3cccc(OCC(N)=O)c3)C1)CC2 2356146205 WLMHBTYVYUKQHD-JOCHJYFZSA-N 409.490 1.527 0 50 HDAA CC(=O)NC[C@@H]1[C@@H](c2ccccc2)[C@]12CN(c1nnnn1-c1ccccc1)C[C@@H]2O 2356169484 RYEIAWHYEQPFDQ-XAPVIXHLSA-N 404.474 1.379 0 50 HDAA COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NCCCn2ccnc2C)cc1C 11936068 SMWPXAVYTGJCOA-IBGZPJMESA-N 413.522 1.406 0 50 HDAA CN1CCN(c2nc(-c3cccs3)ccc2C(=O)N[C@H]2CCS(=O)(=O)C2)CC1 14994226 YJQZAIDJZLWPPQ-AWEZNQCLSA-N 420.560 1.479 0 50 HDAA COc1cccc2c1OCCCN(C(=O)c1cn(CCN3CCOCC3)nn1)C2 20327008 QBAVSBBEJXPIDN-UHFFFAOYSA-N 401.467 1.044 0 50 HDAA O=C(Cn1nc(N2CCN(c3cccc(Cl)c3)CC2)ccc1=O)N1CCOCC1 44893711 IOPOENMYLYWBPC-UHFFFAOYSA-N 417.897 1.082 0 50 HDAA CC[C@@H](NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1)c1ccc(S(C)(=O)=O)cc1 65362410 YTDMOLQTOVPOGK-GOEBONIOSA-N 402.538 1.329 0 50 HDAA CCOC(=O)c1c[nH]c(=O)c([C@@H](CC(=O)O)c2cc(OC)c(O)c(OC)c2)c1O 217878099 WWXNQQCGRHTKAD-JTQLQIEISA-N 407.375 1.587 0 50 HDAA biogenic Cn1nnc(-c2ccc(OCC(=O)N[C@H](Cc3c[nH]c4ccccc34)C(=O)O)cc2)n1 223222508 WINFQPYGJBPATB-GOSISDBHSA-N 420.429 1.549 0 50 HDAA Cc1cc(=O)c(C(=O)N[C@]2(CCO)CCOC2)nn1-c1cccc(C(F)(F)F)c1 225567057 AVQFMYZETQFZDW-GOSISDBHSA-N 411.380 1.831 0 50 HDAA COc1ccccc1O[C@@H]1O[C@@H]2CO[C@H](c3ccco3)O[C@@H]2[C@H](O)[C@H]1NC(C)=O 239432952 WZDFNGJCDFNXKR-QONVVCGCSA-N 405.403 1.372 0 50 HDAA C[C@H](CN1CCN(C)CC1)NC(=O)Nc1ccc(N2CCNC(=O)C2)c(Cl)c1 730134219 SPVRFESUYLMKHY-CQSZACIVSA-N 408.934 1.034 0 50 HDAA Cc1nn(C)cc1NC(=O)CN1CCC[C@H](CNC(=O)c2cc(C(C)C)no2)C1 1506406823 JQYWEHCIWMVDAU-OAHLLOKOSA-N 402.499 1.920 0 50 HDAA O=C(c1cnc2ccccn2c1=O)N1CCN2C(=O)OC[C@@]2(Cc2ccccc2)C1 1857689652 UQNODODGIAQVCN-JOCHJYFZSA-N 404.426 1.584 0 50 HDAA CCOC(=O)C1=C(C)Nc2[nH]c(=O)[nH]c(=O)c2[C@@H]1c1cc(OC)c(OC)c(OC)c1 951800 ZECAFJMGYGHRQQ-CQSZACIVSA-N 417.418 1.484 0 50 HDAA Cn1ccnc1SCCNC(=O)C[C@@H]1C(=O)NCCN1CCCc1ccccc1 11819335 KNTSHXAWFXLSPD-GOSISDBHSA-N 415.563 1.452 0 50 HDAA CCN1CCC[C@H]1CNC(=O)c1ccccc1OC1CCN(S(C)(=O)=O)CC1 12201444 UXHSYZXZQRRUII-INIZCTEOSA-N 409.552 1.704 0 50 HDAA CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)N3CCc4ccccc43)c2)CC1 12379412 DILVUFFZKUJXMG-UHFFFAOYSA-N 413.499 1.742 0 50 HDAA C[C@@H](CN1CCN(C2=NS(=O)(=O)c3ccccc32)CC1)OC(=O)c1ccccc1 19904738 PFJNDHCIEAXRLI-INIZCTEOSA-N 413.499 1.999 0 50 HDAA CCc1csc(CCNC(=O)[C@H]2CCC(=O)N(CCCN3CCOCC3)C2)n1 23337685 ULOFUEUQMGFENW-INIZCTEOSA-N 408.568 1.325 0 50 HDAA Cc1ccc(CCN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N(C)Cc3ncc[nH]3)[C@@H]4C2=O)cc1 77408149 YLACGKGPCXLYEI-CLWLKPMESA-N 406.486 1.701 0 50 HDAA COc1ccc(S(N)(=O)=O)cc1C(=O)N1[C@H]2CC[C@H]1[C@@H](C(=O)OC(C)(C)C)C2 328592064 TTXDFPZDGRCUAQ-WHOFXGATSA-N 410.492 1.677 0 50 HDAA C[C@H]1CN(c2ccc(NC(=O)c3ccc(NS(C)(=O)=O)nc3)cn2)C[C@@H](C)O1 1459582285 DCHMTBBJXSHNND-BETUJISGSA-N 405.480 1.714 0 50 HDAA COC(=O)[C@H]1C[C@H]2CN(C(=O)c3cc(OC)ccn3)CC(=O)N2[C@H]1c1ccccc1 1857732743 DWCNWZZTTFUJPQ-KNBMTAEXSA-N 409.442 1.677 0 50 HDAA Cc1n[nH]c(C)c1CNC(=O)c1cn2c(n1)CCN(C(=O)Cc1ccccc1)CC2 1875246971 VFZQLMNCNHYVEN-UHFFFAOYSA-N 406.490 1.780 0 50 HDAA COc1cc(C(=O)Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)nc2)ccc1S(N)(=O)=O 1875359588 KAXUUSFSLUHFMS-STQMWFEESA-N 420.491 1.604 0 50 HDAA C=CC(=O)N1CCC(C(=O)N2CCC(N(CCO)C(=O)OC(C)(C)C)CC2)CC1 1875369613 YUOZWSYUESMOGA-UHFFFAOYSA-N 409.527 1.631 0 50 HDAA COc1cc(CN2CCN(C3CC3)C[C@H]2C)ccc1OCC(=O)N1CCOCC1 2100555019 JYMPUVUXTDSVJD-QGZVFWFLSA-N 403.523 1.601 0 50 HDAA COc1ccccc1-n1cnnc1S(=O)(=O)Cc1ccc(C(=O)N(C)C)cc1 2325708493 MNTMCTNSRUZJME-UHFFFAOYSA-N 400.460 1.952 0 50 HDAA CS(=O)(=O)Cc1c(C(=O)N[C@@H]2CCC(=O)NC23CCOCC3)oc2ccccc12 2325827680 NDFSSOXAUBAAGZ-MRXNPFEDSA-N 420.487 1.535 0 50 HDAA CCN1C[C@H](C(=O)N2CCCCC[C@H](NC(=O)c3cccc(CO)c3)C2)CCC1=O 2325864738 YOQMORJVRKSUGV-UXHICEINSA-N 415.534 1.938 0 50 HDAA CCN1C[C@@H](C(=O)N2CCCC[C@@H](NC(=O)c3c(F)ccc(N)c3F)C2)CCC1=O 2325864775 ZPMCDMYICUGZJG-UONOGXRCSA-N 422.476 1.916 0 50 HDAA O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@@H]1COc2ccccc2O1 889669 XRRIZWYWKCNNHC-SFHVURJKSA-N 404.444 1.486 0 50 HDAA COC(=O)c1ccc2c(=O)n(CCc3ccc(S(N)(=O)=O)cc3)c(=S)[nH]c2c1 2232623 QFTPRNRUZOPCHP-UHFFFAOYSA-N 419.484 1.736 0 50 HDAA CC(C)C(=O)O[C@@H]1C[C@H](n2ccc(NC(=O)c3ccccc3)nc2=O)O[C@@H]1CO 4619023 MQAQCZHMPJARFY-BFYDXBDKSA-N 401.419 1.343 0 50 HDAA COc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 4867934 QTXCNNJAKBKPPB-UHFFFAOYSA-N 415.943 1.843 0 50 HDAA CS(=O)(=O)N1CCN(c2ccccc2NC(=O)Cn2cnc3ccccc32)CC1 7460904 WAUCUHMLTADETH-UHFFFAOYSA-N 413.503 1.757 0 50 HDAA Cc1c(CN2CCc3c(c(C(=O)N[C@@H](C)c4ccccc4)nn3CCO)C2)cnn1C 14534647 LODGEYBPLVHIIM-INIZCTEOSA-N 422.533 1.967 0 50 HDAA O=C(CCN1CCCCO1)N1CCC[C@H](CNS(=O)(=O)Cc2ccccc2)C1 14950901 YYSZZOQIQOWAID-LJQANCHMSA-N 409.552 1.762 0 50 HDAA O=C(NCCc1nnc2n1CCN(Cc1cc3ccccc3o1)CC2)[C@H]1CCCO1 14993040 LJSYKVGLNGICRE-LJQANCHMSA-N 409.490 1.920 0 50 HDAA COCCOC1CCN(C(=O)C[C@@H]2C(=O)NCCN2Cc2cccc(F)c2)CC1 15077493 YPPLVKHEGBUZEE-LJQANCHMSA-N 407.486 1.170 0 50 HDAA O=C(N[C@@H]1CCS(=O)(=O)C1)c1ccc(-c2ccsc2)nc1N1CCOCC1 19743711 GOJDBDWZMQTDQY-CQSZACIVSA-N 407.517 1.564 0 50 HDAA CS(=O)(=O)c1ncc(CN2CCCN(C3CCCC3)CC2)n1C[C@@H]1CCCO1 20999418 VREQLWZKSNTRIU-IBGZPJMESA-N 410.584 1.916 0 50 HDAA O=C(Cc1cnc2ncnn2c1)N1CCC[C@H](N2CCN(c3ccccc3F)CC2)C1 55198652 GNOXQMYHRUYBOJ-SFHVURJKSA-N 423.496 1.619 0 50 HDAA COc1cccc(S(=O)(=O)N2CCN(c3cc(-n4cccn4)ncn3)CC2)c1 67612615 QPTWRFCCSUBGFR-UHFFFAOYSA-N 400.464 1.182 0 50 HDAA CCC(CC)CN1C[C@]23C=C[C@H](O2)[C@H](C(=O)N2CCN(C(=O)OC)CC2)[C@H]3C1=O 77426830 BMKBDQUHFRPINL-IAGYGMIVSA-N 405.495 1.115 0 50 HDAA CCN1CCN(C(=O)[C@H]2[C@@H]3C=C[C@@]4(CN(CCOc5ccccc5)C(=O)[C@H]24)O3)CC1 77453023 CIMFRZPUIXFECD-MXBUBSDBSA-N 411.502 1.012 0 50 HDAA Cc1c(C(=O)N2CCS(=O)(=O)C3(CCCCC3)C2)cnn1-c1ccc(O)nn1 440936179 MNOFEQPLXIORMT-UHFFFAOYSA-N 405.480 1.250 0 50 HDAA COC(=O)N1CCC(CNC(=O)c2ccc(Cl)c(NS(C)(=O)=O)c2)CC1 803568556 IAPACRXAXOPJBP-UHFFFAOYSA-N 403.888 1.920 0 50 HDAA COc1ccc(Cc2nn3c([C@H]4CCCN(S(C)(=O)=O)C4)nnc3s2)cc1 951726879 MUYMVIIMCSIRGO-ZDUSSCGKSA-N 407.521 1.924 0 50 HDAA COc1ccc(C(=O)N2CCCN(c3cc(N)nc(SC)n3)CC2)c(OC)n1 1772813610 JQLHJJHJVQGOPX-UHFFFAOYSA-N 404.496 1.545 0 50 HDAA CCCCN1C[C@H]2CN(C(=O)CNS(C)(=O)=O)C[C@@]2(CCc2ccccc2)C1 1772815874 AONLTOKADOQWBY-PZJWPPBQSA-N 407.580 1.729 0 50 HDAA O=C(N=c1[nH][nH]cc1-c1ccccn1)[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 1852152723 KDWKHLZZCYNVOV-QGZVFWFLSA-N 415.450 1.825 0 50 HDAA O=C(c1cncc(N2CCN3C(=O)OC[C@]3(Cc3ccccc3)C2)n1)N1CCCC1 1857689823 ZBNREQKIGGPCFL-QFIPXVFZSA-N 407.474 1.966 0 50 HDAA O=S(=O)(NC[C@H]1CCn2cnnc2C1)c1cccnc1NC[C@@H]1CCCCS1 1875335743 FOGVCMRTBRINCJ-GJZGRUSLSA-N 422.580 1.912 0 50 HDAA Cc1cc(-c2cn(-c3cccc4c3CN([C@@H]3CCC(=O)NC3=O)C4=O)nn2)cc(C)n1 1875356814 SNJQFGIUPIDEDQ-LJQANCHMSA-N 416.441 1.707 0 50 HDAA O=C(N[C@@H]1CC[C@H]2C[C@H]1CN2C(=O)c1cccc(-n2ccnn2)c1)c1cnnc(O)c1 2332239586 UDTVAYVLZSIRTE-XYJFISCASA-N 419.445 1.186 0 50 HDAA COC(=O)c1ccccc1NC(=O)CN1N=N[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 2787367 VQLVVSSITWIBES-IAGOWNOFSA-N 407.386 1.405 0 50 HDAA COc1ccc(CNC(=O)Cn2nnc(-c3ccc(S(C)(=O)=O)cc3)n2)cc1 4728217 QIXLANOMOOTDLH-UHFFFAOYSA-N 401.448 1.069 0 50 HDAA COc1cccc(CNCCc2cccnc2)c1OC[C@H](O)CN1CCOCC1 11821267 ABHQXNWHOWEZGU-HXUWFJFHSA-N 401.507 1.494 0 50 HDAA Cc1c(NC(=O)CSc2nc3c(c(=O)[nH]2)CCC3)c(=O)n(-c2ccccc2)n1C 11902979 RKIOUTDPBOFKNL-UHFFFAOYSA-N 411.487 1.787 0 50 HDAA Cc1nc(CCNC(=O)C[C@H]2C(=O)NCCN2Cc2ccc(F)cc2)sc1C 12093015 ZEMKYPRMBJNFBI-KRWDZBQOSA-N 404.511 1.948 0 50 HDAA CC(C)[C@H](NC(=O)c1ccccc1)c1nnc(SCC(=O)N2CCOCC2)n1C 12382030 DVQRNMXPLPFFGS-KRWDZBQOSA-N 417.535 1.893 0 50 HDAA COc1cccc(CN2CCNC(=O)[C@@H]2CC(=O)N2CCN(C3CCCC3)CC2)c1 12713924 OHPYIDFWUIFOPJ-NRFANRHFSA-N 414.550 1.473 0 50 HDAA CC(C)c1ccc(NC(=O)N[C@H]2C[C@H]3C(=O)N[C@@H](CCCCN)C(=O)N3C2)cc1 14749892 SXGVNQJRQCVIMB-BZSNNMDCSA-N 401.511 1.528 0 50 HDAA CCn1cc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)cn1 17089314 MWJYOSGJPOHUBX-UHFFFAOYSA-N 412.537 1.215 0 50 HDAA Cn1cc(NC(=O)CN2CCC(N3CCC[C@H](C(=O)N4CCCC4)C3)CC2)cn1 71439689 POEYESKBEYBVED-KRWDZBQOSA-N 402.543 1.157 0 50 HDAA O=C1CN(C(=O)[C@H]2CCCN(C3CCN(c4nc5ccccc5o4)CC3)C2)CCN1 82109165 DEMKSYPUUKAJCY-INIZCTEOSA-N 411.506 1.467 0 50 HDAA COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)CN1CCCC[C@H]1C)CC2 95528091 VPZPZHARTXQHIG-MRXNPFEDSA-N 403.527 1.133 0 50 HDAA O=C1[C@H]2C3C=CC([C@H]2C(=O)N1c1ccncc1)[C@H]1C(=O)N(c2ccncc2)C(=O)[C@@H]31 169620733 HLMBUKUTOFQWAX-DWAWYFSRSA-N 400.394 1.204 0 50 HDAA C[C@H](c1noc(-c2ccccc2)n1)N1CCN(S(=O)(=O)Cc2ccon2)CC1 170610776 WRIYOQOOEHJLTE-CQSZACIVSA-N 403.464 1.933 0 50 HDAA O=C(O)C[C@H]1CN(C(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)CCO1 170672688 TZEZDMUQSUSWCS-INIZCTEOSA-N 404.444 1.803 0 50 HDAA CCN(CC)C(=O)Cc1ccc(NC(=O)C(=O)Nc2ccn(CCN(C)C)n2)cc1 225854464 QBJLZCUAHOFCTP-UHFFFAOYSA-N 414.510 1.433 0 50 HDAA CC[C@H](C)N1C(=O)[C@@H]2[C@H]([C@@H](C)O)N[C@@]3(C(=O)Nc4c(Cl)cc(C)cc43)[C@@H]2C1=O 252383355 MHUDSBSAPUUZHC-BQYRHEFBSA-N 405.882 1.548 0 50 HDAA COC(=O)c1cn(C[C@H](c2ccc(OC)cc2)N2CCOCC2)cc2c(=O)[nH]nc1-2 263588587 WANCUBODXSYFEI-GOSISDBHSA-N 412.446 1.545 0 50 HDAA Cc1cn2nnc(C(=O)N3CCC(C(=O)NC[C@H](C)c4ccccc4)CC3)c2c(O)n1 263618785 VOCHYUSWMDJDJJ-AWEZNQCLSA-N 422.489 1.910 0 50 HDAA CCn1cnnc1CN1CCC(N2C[C@H](COc3ccc(F)cc3)OCC2=O)CC1 299797702 PBYVEQFOOXWWLU-LJQANCHMSA-N 417.485 1.708 0 50 HDAA O=c1cc(N2CCC(O)CC2)cnn1[C@@H]1CCCN(Cc2nc3c(s2)CCC3)C1 328606932 UAQWZMGRGRTCEU-OAHLLOKOSA-N 415.563 1.987 0 50 HDAA Cc1ccccc1[C@@H](CC(=O)N1CCN(c2nccn3cnnc23)[C@@H](C)C1)NC(N)=O 433555839 WJWZJTHYDXRZMJ-DOTOQJQBSA-N 422.493 1.270 0 50 HDAA CC[C@H]1CN(C(C)=O)[C@H](CC)CN1C(=O)NC1CCN(C2CCN(C)CC2)CC1 473028096 QVLQIOYXUUXUKU-UXHICEINSA-N 407.603 1.976 0 50 HDAA O=C(NCCCc1nc2ccc(Cl)cc2[nH]1)c1cn(CCN2CCNCC2)nn1 825573803 POLLGHCXHWLTJN-UHFFFAOYSA-N 416.917 1.076 0 50 HDAA CCc1nnc(N2C[C@@H](C(=O)N(C)CC3CCN(CCOC)CC3)CC2=O)s1 1857668114 NKTSLTNORXTRIX-HNNXBMFYSA-N 409.556 1.270 0 50 HDAA O=C(N[C@@H](Cc1ncc[nH]1)c1ccccc1)C(=O)N1CCN(c2ccncc2)CC1 2325708335 BKAJUDCVGJESBF-IBGZPJMESA-N 404.474 1.554 0 50 HDAA C[C@@H]1C[C@@H](C)CN(CCNC(=O)COCC(=O)NCCN2C[C@H](C)C[C@@H](C)C2)C1 2325721775 YYYIHYFPRJSGKB-UAFMIMERSA-N 410.603 1.191 0 50 HDAA COCCN1C(=O)c2ccc(C(=O)Nc3cc(C(=O)O)cc(C(=O)O)c3)cc2C1=O 4827744 IFUXXSOCLDSJJM-UHFFFAOYSA-N 412.354 1.578 0 50 HDAA Cc1nc(CCNC(=O)C[C@@H]2C(=O)NCCN2Cc2ccoc2)nc2c1CCCC2 13594102 OERKBRMJIPPCKV-LJQANCHMSA-N 411.506 1.306 0 50 HDAA c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)nc1 19361903 CWJJHESJXJQCJA-UHFFFAOYSA-N 410.610 1.736 0 50 HDAA biogenic,in-vitro O=C1CC[C@@H](C(=O)N2CC(=O)N(C3CCCCC3)C[C@H](OCc3ccncc3)C2)N1 20452525 MGXHXXYTLMUJDZ-MOPGFXCFSA-N 414.506 1.249 0 50 HDAA Cc1ncc(C(=O)N2CCC3(CC2)CN(CCOc2ccccc2)C(=O)O3)c(=O)[nH]1 72426212 XCCCZMPEVRLDQB-UHFFFAOYSA-N 412.446 1.584 0 50 HDAA O=C(NCc1cccnc1)[C@@H]1[C@H]2C=C[C@@]3(CN(Cc4ccc5c(c4)OCO5)C(=O)[C@H]13)O2 252346937 KPXAOELHTHDUFL-DBBLALLESA-N 419.437 1.409 0 50 HDAA CNS(=O)(=O)c1cccc(S(=O)(=O)Nc2ccc3c(c2)CN(C)C(=O)N3)c1 479549011 YKHJXONWDPEYOR-UHFFFAOYSA-N 410.477 1.373 0 50 HDAA COc1cccc2c1OC[C@@H](NC(=O)CCN1C(=O)c3ccccc3S1(=O)=O)C2 824804681 DVWODEQHKALIIC-AWEZNQCLSA-N 416.455 1.350 0 50 HDAA CN(c1ccc(C(=O)N2CCc3nc[nH]c3[C@@H]2c2cccnc2)cc1)S(C)(=O)=O 952974743 BOQDPQSUXKOJLC-IBGZPJMESA-N 411.487 1.988 0 50 HDAA O=C(NC1CCN(C2CCSCC2)CC1)[C@@H]1CC(=O)N(Cc2ccncc2)C1 952991166 ZTTFKQDSASDRNU-QGZVFWFLSA-N 402.564 1.906 0 50 HDAA Cc1noc(C)c1-c1ccc(S(=O)(=O)N2C[C@@H]3CNC[C@]3(CN(C)C)C2)s1 1772700740 DTBIYKXSHNBAHV-KSSFIOAISA-N 410.565 1.792 0 50 HDAA O=C(NC[C@H]1CN(CC2CCN(CC3CC3)CC2)C(=O)CO1)c1ccncc1F 1857675881 GVBAKLBNFDPYHF-KRWDZBQOSA-N 404.486 1.300 0 50 HDAA CN(CC(=O)N1CCc2ccccc2[C@H](NC(=O)c2cc(CO)on2)C1)C1CCC1 1875331089 OIDKBRCWLBPATQ-HXUWFJFHSA-N 412.490 1.507 0 50 HDAA COc1ccc(F)cc1C(=O)N[C@@H]1CC[C@H]2C[C@H]1CN2C(=O)C[C@@H]1CCNC1=O 1875335246 YKXUFYVKBYFFTI-GZIXRCOHSA-N 403.454 1.470 0 50 HDAA C=CC(=O)N1CCC(C(=O)NC[C@H]2CC(=O)N(C(C)(C)C)[C@@H]2c2cnn(C)c2)CC1 1875370633 WRUGXELRDCAILC-UZLBHIALSA-N 415.538 1.649 0 50 HDAA CCc1nc(O)ccc1C(=O)N[C@H]1CC[C@H](C(=O)NCc2cc(C)no2)C[C@@H]1O 1940195168 HCRJLRGZEKCNHL-ZLIFDBKOSA-N 402.451 1.222 0 50 HDAA CCn1cnnc1CN1CCCNC(=O)CC[C@H](c2ccccc2)CCNC(=O)C1 2100533227 GTLQVCIWXMOZCU-IBGZPJMESA-N 412.538 1.690 0 50 HDAA CCC(CNC(=O)[C@@H]1CCCC12OCCO2)CNC(=O)[C@@H]1CCCC12OCCO2 2325725731 WZCGAEZJXHBZNC-IRXDYDNUSA-N 410.511 1.331 0 50 HDAA CCCN1C[C@@H](C(=O)N2CCCC[C@@H](NC(=O)c3cccc(C(N)=O)c3)C2)CC1=O 2325864133 HNLFTQSJRTUCIG-ZWKOTPCHSA-N 414.506 1.155 0 50 HDAA Nc1cc(N2C[C@@H](O)[C@]3(C2)[C@H](c2ccccc2)[C@H]3CNC(=O)c2cc[nH]c2)ncn1 2356166440 XVDAQCRCAXZTGD-ZFNVSSEQSA-N 404.474 1.398 0 50 HDAA O=C(C[C@@H]1SC(=O)NC1=O)Nc1ccc(NC(=O)C[C@@H]2SC(=O)NC2=O)cc1 2688870 PYIMXIOUKFRAMV-UWVGGRQHSA-N 422.444 1.047 0 50 HDAA CN(Cc1cnc(S(C)(=O)=O)n1C[C@@H]1CCCO1)Cc1cnc2ccccn12 12196945 STALQSSDYCTKIR-KRWDZBQOSA-N 403.508 1.745 0 50 HDAA C[C@@H]1NC(=O)[C@@H]2C[C@H](NC(=O)c3cccnc3Oc3ccc(Cl)cc3)CN2C1=O 14537874 LUFIGRNNZSOYKE-RBOXIYTFSA-N 414.849 1.745 0 50 HDAA CN1CCN(C(=O)c2cn(CCNC(=O)Cc3ccc4ccccc4c3)nn2)CC1 14987342 IQEYXAOSSAWTPS-UHFFFAOYSA-N 406.490 1.178 0 50 HDAA CCS(=O)(=O)c1ncc(CN2CCN(c3ccccc3OC)CC2)n1CCOC 15078665 KZQSEKHHCFXFKZ-UHFFFAOYSA-N 422.551 1.654 0 50 HDAA Cc1c(C(=O)NCC2(C)COC2)sc2ncnc(NCCN3CCOCC3)c12 23129279 MOQDGPUUYFDWFG-UHFFFAOYSA-N 405.524 1.510 0 50 HDAA CN1CCN(c2cc(N3CCN(C(=O)c4ccc(F)cc4F)CC3)ncn2)CC1 72442480 TXUYUTRTNPZTAP-UHFFFAOYSA-N 402.449 1.469 0 50 HDAA CN(CCO)C(=O)Cn1c(Cc2ccccc2)nn(-c2ccc(Cl)cc2)c1=O 77340346 DPZOAHATOIXWMA-UHFFFAOYSA-N 400.866 1.729 0 50 HDAA Cc1cccc(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N(C)Cc3nccn3C)[C@H]4C2=O)c1 77436846 BWOQXIQUBPDFET-USKVXJDGSA-N 406.486 1.669 0 50 HDAA CCN1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1C(=O)N(Cc2ccccc2)c2ccccc21 137288801 VRCLJQBGOBULPA-NQIIRXRSSA-N 420.513 1.991 0 50 HDAA CCOC(=O)[C@@H]1CCCN(S(=O)(=O)NC[C@H](c2cccs2)N2CCCC2)C1 230160532 OZLROGAXDOFAQS-HZPDHXFCSA-N 415.581 1.995 0 50 HDAA CCN(CC)C(=O)CN1CCC(N2C[C@@H](COc3ccc(F)cc3)OCC2=O)CC1 299775885 LLDZQLVZUMOGMU-FQEVSTJZSA-N 421.513 1.765 0 50 HDAA O=C(c1cccc(CN2CCS(=O)(=O)CC2)c1)N1CCC(Cc2ncc[nH]2)CC1 328592022 OAUXRZNALXYPSF-UHFFFAOYSA-N 416.547 1.735 0 50 HDAA COC(=O)Cc1c(O)oc2c(CN[C@@]3(C)CCS(=O)(=O)C3)c(=O)ccc-2c1C 334158611 XIDNSYAQYAVDJX-IBGZPJMESA-N 409.460 1.141 0 50 HDAA C[C@@H](NC(=O)C(C)(C)C)C(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H]2CO)cc1 390832787 QEAFEYWQQZOWNC-HIFRSBDPSA-N 411.524 1.321 0 50 HDAA CN1Cc2cc(NS(=O)(=O)c3ccc(S(=O)(=O)N(C)C)cc3)ccc2NC1=O 479536420 LJETYUMHZSQDGN-UHFFFAOYSA-N 424.504 1.715 0 50 HDAA CN(C)C(=O)c1cncc(N2CCOC3(CCN(Cc4nccs4)CC3)C2)n1 823641981 LGXUQKLGRDXYBX-UHFFFAOYSA-N 402.524 1.506 0 50 HDAA C[C@@H]1CCCN(Cc2ccccc2CNC(=O)c2cn(C[C@H]3CNC(=O)O3)nn2)C1 1290891360 MEZLKEHSIHTOEJ-CRAIPNDOSA-N 412.494 1.548 0 50 HDAA CCCCS(=O)(=O)N1C[C@@H]2COC[C@]2(C(=O)NCc2sc(C)nc2C)C1 1857692160 QWJBMEIWPVEPHF-RHSMWYFYSA-N 401.554 1.454 0 50 HDAA CN(CC(=O)N1CCc2[nH]nc(-c3ccccc3)c2CC1)[C@H]1CCS(=O)(=O)C1 1857700265 PVUCGWOPYNNVLO-INIZCTEOSA-N 402.520 1.123 0 50 HDAA CCc1nnc(N2C[C@@H](C(=O)NC3CCN(Cc4ccncc4)CC3)CC2=O)s1 1857721092 YRQUQAJHBGGLSJ-HNNXBMFYSA-N 414.535 1.629 0 50 HDAA COc1cccc(CN2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)c1OCCCn1ccnc1 2100556217 ITRNJBQVFARRRQ-QFBILLFUSA-N 405.520 1.980 0 50 HDAA CN1CCCC[C@@H](C(=O)NCC2CCN(C(=O)c3cn(C)nc3Cl)CC2)C1=O 2325823209 KAPNJAXTVVUMDY-AWEZNQCLSA-N 409.918 1.300 0 50 HDAA CNc1ccc(CNC(=O)c2ccc3c(c2)CN([C@H]2CCC(=O)NC2=O)C3=O)cc1 2325895541 CQHFMGZCVDOSNJ-SFHVURJKSA-N 406.442 1.419 0 50 HDAA COc1ccc(N2CCCCS2(=O)=O)cc1S(=O)(=O)NCc1ccccn1 11907631 DZAGDCKFOWSUJG-UHFFFAOYSA-N 411.505 1.499 0 50 HDAA O=C(C[C@H]1C(=O)NCCN1C/C=C/c1ccccc1)NCc1cn2c(n1)SCC2 20536957 BWHZPRMKRHHCFF-UKTKYZJWSA-N 411.531 1.509 0 50 HDAA COc1ccc(CNC(=O)C[C@H]2C(=O)NCCN2Cc2cccc(F)c2)c(OC)c1 55270453 HENIRXVSGLYMPZ-IBGZPJMESA-N 415.465 1.850 0 50 HDAA Cc1nc(CCN(C)C(=O)[C@@H]2[C@@H]3C=C[C@@]4(CN(C5CCCCCC5)C(=O)[C@H]24)O3)no1 77357034 MGLGVEXPCNPTLC-ZBPHCFQXSA-N 414.506 1.884 0 50 HDAA CN1CCN([C@H]2CCN(C(=O)c3n[nH]c4c3CCCC4)C[C@H]2CCC(=O)O)CC1 91644048 GDDOQOCNCBBVPR-QAPCUYQASA-N 403.527 1.231 0 50 HDAA COC(=O)c1cnc(O)c([C@H](CC(N)=O)c2cc3cc(OC)ccc3nc2O)c1O 253623933 UBALGWRAMVKDRG-LLVKDONJSA-N 413.386 1.549 0 50 HDAA biogenic C[C@@H]1CCCN(S(=O)(=O)NC[C@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)C1 299754295 HYALKJZQGOPCBY-NEWSRXKRSA-N 406.552 1.152 0 50 HDAA CN(C(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21)S(=O)(=O)c1ccc2c(c1)OCCO2 916833693 TVQBRXLXGHHIFB-CQSZACIVSA-N 420.418 1.870 0 50 HDAA CN1CC[C@]2(C(=O)NCCn3ccnn3)CCCN(C(=O)CC3=CCCC3)[C@H]2C1 1775978449 SZQREDHSBYVRFK-GHTZIAJQSA-N 400.527 1.208 0 50 HDAA CNS(=O)(=O)CCNC(=O)c1ccc(OC)c(Oc2ccc(CN)cc2F)c1 1857689041 CLAUFGGINRWBOL-UHFFFAOYSA-N 411.455 1.364 0 50 HDAA CCc1noc(C)c1C(=O)NC[C@H]1CN(CC2CCN(CC3CC3)CC2)C(=O)CO1 1857693321 RGTUSKBPUPQJOH-SFHVURJKSA-N 418.538 1.625 0 50 HDAA O=C1COc2ccc(S(=O)(=O)N3C[C@@H]4[C@H](C3)[C@@H]3CC[C@H]4N3CC3CC3)cc2N1 1857705953 CFQAJTUEKPRJEJ-LVYXFOGZSA-N 403.504 1.511 0 50 HDAA COc1ccc(N2C(=O)C(=CN[C@@H]3CCS(=O)(=O)C3)c3ccccc3C2=O)cc1 2082933790 XKMYURGSYKRFIA-CQSZACIVSA-N 412.467 2.000 0 50 HDAA Cc1nn(C)cc1CCNC(=O)[C@H]1CCC[C@H]1C(=O)NCCc1cn(C)nc1C 2325715862 BNEMNQJOVAQLBA-KDURUIRLSA-N 400.527 1.204 0 50 HDAA CCOC(=O)[C@@]1(C)C=C(Nc2ccc(S(N)(=O)=O)cc2)C(=O)N1c1ccccc1 2308184 WQFRXHYDKKISFH-HXUWFJFHSA-N 415.471 1.998 0 50 HDAA Cn1nc(C(=O)N2CCc3ccccc3C2)c2c1CCN(CCN1CCOCC1)C2 20994710 VDFPCAJCYZRIHE-UHFFFAOYSA-N 409.534 1.309 0 50 HDAA CCS(=O)(=O)c1ncc(CN2CCC[C@H](C(=O)c3nccn3C)C2)n1CCOC 23130068 RCIGDQXNCQLJOU-HNNXBMFYSA-N 423.539 1.152 0 50 HDAA Cc1c(NC(=O)[C@H](C)N2C(=O)[C@H]3CCCC[C@H]3C2=O)c(=O)n(-c2ccccc2)n1C 95394144 SLKBUXDMUWFXNV-BHYGNILZSA-N 410.474 1.987 0 50 HDAA COCCn1cnc2ccc(NC(=O)[C@H]3CCCN(c4ncccn4)C3)cc2c1=O 218204594 ROAUMLPMUOKLET-HNNXBMFYSA-N 408.462 1.688 0 50 HDAA CCOC(=O)c1csc(NC(=O)C[C@H]2N=C(O)N(Cc3ccccc3)C2=O)n1 252552532 UVOJJBHONSBJMV-GFCCVEGCSA-N 402.432 1.973 0 50 HDAA C[C@@]12CC[C@@H]3[C@H](CC[C@@]4(O)C[C@@H](O)CC[C@]34CO)[C@@]1(O)CC[C@H]2C1=CC(=O)OC1 253498026 ZNDMLUUNNNHNKC-LVRCVRTGSA-N 406.519 1.692 0 50 HDAA O=C(CN1CCC(N2C[C@@H](COc3ccc(F)cc3)OCC2=O)CC1)N1CCCC1 299798589 SLLQBVLAXURNRB-FQEVSTJZSA-N 419.497 1.519 0 50 HDAA Cc1cc(C(=O)N2CCN(c3ncccc3Cl)CC2)cc(S(N)(=O)=O)c1C 462018451 WZDDCROIGNJDBJ-UHFFFAOYSA-N 408.911 1.962 0 50 HDAA CCN1CCC[C@@H]1CNC(=O)[C@@H](CCSC)n1c(O)nc2ccccc2c1=O 888089876 MXBGCQWCSROUDG-RHSMWYFYSA-N 404.536 1.997 0 50 HDAA Cc1[nH]nc(CN2C[C@H]3CN(C(=O)c4cnc(C5CC5)nc4)C[C@]3(CO)C2)c1Cl 1772813540 GLNSWLIBJAASDO-YWZLYKJASA-N 416.913 1.605 0 50 HDAA O=C([C@@H]1CCc2sc(N3CCOCC3)nc2C1)N1CCC(c2nc[nH]n2)CC1 1772813669 NMSOSGQSIIPGBP-CQSZACIVSA-N 402.524 1.609 0 50 HDAA N=c1ccnc(N2CCC(N3C[C@@H](COc4ccc(F)cc4)OCC3=O)CC2)[nH]1 1857668126 CAWMUWARKMIWOF-KRWDZBQOSA-N 401.442 1.303 0 50 HDAA O=C(CO)N1CCC2(CCc3c2nc(-c2ccccc2)[nH]c3=NC[C@@H]2CCCO2)CC1 1857693087 HOLRVQZZPLLMOO-SFHVURJKSA-N 422.529 1.955 0 50 HDAA COCCN1CC[C@@H](C(=O)N2CCC3(CC2)OCCc2sc(C(=O)O)cc23)C1 1857694573 RZQAEKVRNXXEBR-CQSZACIVSA-N 408.520 1.805 0 50 HDAA COCc1nc(-c2cc(C3CCOCC3)[nH]n2)n(-c2ccc(S(N)(=O)=O)cc2)n1 1875348668 YMKFNDPFRWJAPE-UHFFFAOYSA-N 418.479 1.345 0 50 HDAA CCc1nnc(NC(=O)[C@H](C)[C@H](C)NC(=O)N2CCc3c(O)nc(O)nc3C2)s1 2325850964 LZXHJFPVXWEAJZ-BDAKNGLRSA-N 421.483 1.033 0 50 HDAA NS(=O)(=O)c1ccc(NC(=S)N2CCN(CCc3ccccc3)CC2)cc1 4749946 LBYXVTZLJITNGU-UHFFFAOYSA-N 404.561 1.891 0 50 HDAA CC(C)N(C)Cc1nnnn1CC(=O)N1CCCN(Cc2cccc(F)c2)CC1 11947615 JYOWMALKHBIPFR-UHFFFAOYSA-N 403.506 1.387 0 50 HDAA COc1ccc(OC2CCN(C(C)=O)CC2)c(C(=O)NCCN2CCC[C@H](O)C2)c1 12054964 ABMRZFLNNQVCTD-KRWDZBQOSA-N 419.522 1.271 0 50 HDAA COC(=O)CCN1C[C@H](OCc2ccncc2)CN(C(=O)c2ccsc2)CC1=O 14536656 DKZHLRDJBRTREG-KRWDZBQOSA-N 417.487 1.576 0 50 HDAA CN(Cc1ccncn1)C(=O)C[C@@H]1C(=O)NCCN1Cc1ccccc1C(F)(F)F 15068382 IIDXIZIHILCUDB-QGZVFWFLSA-N 421.423 1.845 0 50 HDAA CN1CCC(NC(=O)CN(c2ccc(Br)cc2)S(C)(=O)=O)CC1 67601804 UKMPCJSRPRLJJH-UHFFFAOYSA-N 404.330 1.426 0 50 HDAA COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)c1cnn(C(C)C)c1)CC2 95506229 FOLDIVCAVVNXOR-UHFFFAOYSA-N 400.483 1.350 0 50 HDAA Cn1c(=O)c2c(nc(SCCC(=O)O)n2Cc2ccccc2Cl)n(C)c1=O 195792570 RFEDQRUCOSBJFG-UHFFFAOYSA-N 408.867 1.702 0 50 HDAA COc1ccc(Br)c(S(=O)(=O)N2CCC[C@@H]([C@@H](O)C(=O)O)C2)c1 252536246 HZDHPUJCQDNXNI-NOZJJQNGSA-N 408.270 1.304 0 50 HDAA O=C(NC[C@H]1CCCN(C(=O)NCC(=O)N2CCOCC2)C1)OCc1ccccc1 793043476 ZBWDXLBNIZCCGF-GOSISDBHSA-N 418.494 1.193 0 50 HDAA COc1ccc(-c2oc3c(=O)cc(C)oc3c2CC(=O)NCCS(N)(=O)=O)cc1 824692120 OXWJMDJSACBDPQ-UHFFFAOYSA-N 420.443 1.317 0 50 HDAA biogenic CCc1[nH]nc(C(=O)NC[C@H]2CN(CC3CCN(CC4CC4)CC3)C(=O)CO2)c1C 1857675490 ZMSPOYMEPLXTAY-SFHVURJKSA-N 417.554 1.360 0 50 HDAA Cc1cnc(F)c(C(=O)N2CC[C@H]([C@H]3CCCN3C(=O)c3cc(C(N)=O)[nH]n3)C2)c1 1875389133 DFBKFTFDBJLJAB-BLLLJJGKSA-N 414.441 1.118 0 50 HDAA CN(CC(=O)N1CCN(c2ccccc2F)CC1)S(=O)(=O)c1ccc(F)cc1 2841783 FSGKSLJNWHEQIV-UHFFFAOYSA-N 409.458 1.934 0 50 HDAA CC(C)C[C@@H]1NC(=O)[C@H]2CN(C(=O)c3ccc(OC(F)(F)F)cc3)CCN2C1=O 14731701 QYPLMRGCICTUNV-LSDHHAIUSA-N 413.396 1.783 0 50 HDAA Cc1nonc1C(=O)N1CCC[C@H](N2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 19740814 GANIKSBFJPNXJJ-KRWDZBQOSA-N 413.478 1.529 0 50 HDAA Cc1nn(-c2ccccc2)c(C)c1CC(=O)N1CC[C@@H](N2CCN(C)CC2)[C@H](O)C1 20535810 FJVMDICBBFFNPQ-FGZHOGPDSA-N 411.550 1.241 0 50 HDAA COc1ccccc1CNC(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1 35507228 UESUPTUYWBOUFZ-UHFFFAOYSA-N 403.504 1.561 0 50 HDAA CCc1nc(-c2c3n(c(=O)n(CC(=O)NCc4cccs4)c2=O)CCCC3)no1 169763870 CYSVTHNNFVSYRI-UHFFFAOYSA-N 415.475 1.337 0 50 HDAA Cc1nc(-c2c3n(c(=O)n(CC(=O)NCCCc4ccccc4)c2=O)CCCC3)no1 169764812 DUACZNLMCMWHBC-UHFFFAOYSA-N 423.473 1.454 0 50 HDAA Cn1c(N2CCN(C(=O)Cn3nc4c(cc3=O)CCCCC4)CC2)nc2ccccc21 169779899 WKKVUJBRKSQWDI-UHFFFAOYSA-N 420.517 1.748 0 50 HDAA CCCCN1C(=O)CC[C@H](C(=O)N[C@H]2CCC(=O)NC2=O)[C@@H]1c1ccccc1OC 435982924 NFBVWTYFKXXZAB-FTRWYGJKSA-N 415.490 1.696 0 50 HDAA COc1cc(=O)n2c(c1C(=O)NCc1noc(-c3cccs3)n1)CCNCC2 824530763 HRJGSDPDNVZPNG-UHFFFAOYSA-N 401.448 1.044 0 50 HDAA CC1CCN(C(=O)COc2ccccc2CN2C[C@H]3COC[C@@H](C2)C(=O)N3)CC1 1704325632 NYUDGDIEXZVRBC-MOPGFXCFSA-N 401.507 1.271 0 50 HDAA CSCC(=O)N1C[C@H]2CN(CCC(=O)N3CCc4ccccc4C3)C[C@]2(CO)C1 1772710582 BWDYRZRQPPELNS-DENIHFKCSA-N 417.575 1.077 0 50 HDAA Cn1ncc(C(=O)NC[C@H]2CCCCN2)c1S(=O)(=O)N1CCc2ccccc2C1 1857527077 WAJTZINMDHFJGR-QGZVFWFLSA-N 417.535 1.039 0 50 HDAA C[C@]1(C(=O)N2CCC3(CCc4c(O)nc(N5CCOCC5)nc43)CC2)CCCNC1 1857721806 HCOUWHMSWTUEBM-NRFANRHFSA-N 415.538 1.215 0 50 HDAA O=C([C@H]1C[C@@H]2CC[C@H]1O2)N1CCO[C@@]2(C[C@@H]3CC[C@H](C2)N3CCn2cccn2)C1 1857731394 GJIMSSGZWYDOCS-SQNFNTIFSA-N 400.523 1.675 0 50 HDAA CC[C@]1(C(=O)N2CCS(=O)(=O)CC2)C[C@H]2CC[C@@H]1N2Cc1ncccc1OC 1857740522 RAAWKXFQNCCDDA-BPAFIMBUSA-N 407.536 1.480 0 50 HDAA O=C(N[C@@H]1CC[C@H](C(=O)N2CCC3(CCCO3)CC2)C[C@H]1O)c1ccc(O)cc1 2100482147 AGUIYVGCJJWGJV-QXAKKESOSA-N 402.491 1.823 0 50 HDAA CCC[C@@]1(CO)CN(C(=O)CCCn2nnc(-c3ccc(F)cc3)n2)CC[C@@H]1O 2100483848 SLLAYPXQLSDIDP-PXNSSMCTSA-N 405.474 1.631 0 50 HDAA Cc1nc(C)c(C(=O)N=[S@]2(=O)CCCN(C(=O)[C@@]3(F)CCOC3)CC2)s1 2332239113 XCDMRFUJOXPTAM-DXPJPUQTSA-N 403.501 1.729 0 50 HDAA CCC[C@]1(C(=O)O)CCN(Cc2nc(=N)[nH]c(=Nc3cccc(C)c3)[nH]2)C[C@H]1O 2356159221 REXSXXZIEWYVAA-QRWLVFNGSA-N 400.483 1.196 0 50 HDAA CC(=O)N1CCCc2cc(S(=O)(=O)N3CCC[C@]34CCCN(C)C4=O)ccc21 2356170871 OXANGPJIUNIQER-FQEVSTJZSA-N 405.520 1.761 0 50 HDAA COCCn1c(=O)c2c(nc(-n3nc(C)c(C)c3C)n2Cc2ccccc2)n(C)c1=O 12518409 PDPOIPZDCWGBGB-UHFFFAOYSA-N 422.489 1.702 0 50 HDAA COCCn1c(CN(C)C[C@@H]2CCCN2C)cnc1S(=O)(=O)CC(C)(C)C 20453724 BOKHOMCWUZZBGI-INIZCTEOSA-N 400.589 1.875 0 50 HDAA Cn1c(N)c(C(c2ccc(F)cc2)c2c(N)n(C)c(=S)[nH]c2=O)c(=O)[nH]c1=S 20607380 RAOQCVSDGVRIJD-UHFFFAOYSA-N 420.495 1.683 0 50 HDAA COc1cccc(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N3CCn5cccc5C3)[C@H]4C2=O)c1 77393533 QPCCBTSLAOEHRL-CIEVZJJWSA-N 419.481 1.821 0 50 HDAA CCn1nc(C)cc1C(=O)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)COC 95500158 STWHKPVROOQVFP-UHFFFAOYSA-N 400.483 1.097 0 50 HDAA O=C(NCCCc1nnc2ccccn12)[C@@H]1CC(=O)N(c2n[nH]c3ccccc23)C1 169772786 VDBQSBJZGIEPQO-CQSZACIVSA-N 403.446 1.708 0 50 HDAA COC(=O)[C@@H]1CN(C(=O)Cn2c(=O)[nH]c3ccccc3c2=O)C[C@H]1c1ccsc1 170601215 RFRGQJYVNNQJMZ-LSDHHAIUSA-N 413.455 1.167 0 50 HDAA CCNS(=O)(=O)c1ccccc1S(=O)(=O)Nc1ccc2c(c1)CN(C)C(=O)N2 488219406 IRRLRYRHZRFVHW-UHFFFAOYSA-N 424.504 1.763 0 50 HDAA O=S1(=O)C[C@@H]2[C@H](C1)NCCN2Cc1cn(-c2ccccc2)nc1-c1ccncc1 828396622 DIXGQFRTUPNGKM-VQTJNVASSA-N 409.515 1.505 0 50 HDAA Cn1ccnc1CN1C[C@@H]2CN(Cc3nn(C)c4cccc(Cl)c34)C[C@@]2(CO)C1 1772700633 FNFRMBCAPRXPGV-BTYIYWSLSA-N 414.941 1.887 0 50 HDAA Cc1sc2nc(CCNC(=O)c3cc4n(n3)CCN(C)C4=O)nc(O)c2c1C 1857667079 XNPPGOUMDUYFFK-UHFFFAOYSA-N 400.464 1.268 0 50 HDAA CC(C)N1CCO[C@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@H]2CCCO[C@H]2C)C1 1875316664 FVPPSNHLOFJJKE-MJUPKGCFSA-N 407.555 1.549 0 50 HDAA COc1cccc2c1C1(CCN(C(=O)[C@@H]3CCCN(CC(N)=O)C3)CC1)OCC2 2356156596 JWFYBHAKIORRGB-QGZVFWFLSA-N 401.507 1.283 0 50 HDAA CCn1ncc(Br)c1C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(C)CS[C@H]12 2747681 QHYWBFAZHAEHPX-AMIZOPFISA-N 415.269 1.038 0 50 HDAA COc1ccc(NC(=O)c2cn(CCNC(=O)CSc3ccccn3)nn2)cc1 12727076 PUOUYHASCGUXSP-UHFFFAOYSA-N 412.475 1.843 0 50 HDAA COC(=O)CCN1C[C@@H](OCc2ccncc2)CN(C(=O)[C@H]2CC=CCC2)CC1=O 14542848 JCKSGZRGUJHMBY-RBUKOAKNSA-N 415.490 1.557 0 50 HDAA O=C1N[C@H](Cc2ccc(O)cc2)C(=O)N2C[C@@H](NCc3cc(F)ccc3F)C[C@@H]12 14731984 FNXUCQAZLXRIQR-IPELMVKDSA-N 401.413 1.471 0 50 HDAA COc1ccc(S(=O)(=O)N2CCC(C(N)=O)CC2)cc1I 16425032 LEDYCMRHMOHQHV-UHFFFAOYSA-N 424.260 1.186 0 50 HDAA O=C1CN(C(=O)C[C@@H]2C(=O)NCCN2Cc2ccc(-c3ccccc3)cc2)CCN1 72139144 MEWFCVXQWAFKAT-HXUWFJFHSA-N 406.486 1.003 0 50 HDAA COc1cccc(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N(C)Cc3cc(C)on3)[C@H]4C2=O)c1 77555266 POCAPMBOZYUNJL-MXBUBSDBSA-N 423.469 1.932 0 50 HDAA Cn1cc([C@@H]2C[S@](=O)CCN2C(=O)COc2cccc(Br)c2)cn1 170614425 HBKCNRRYTAHTFI-IZHWHUGBSA-N 412.309 1.894 0 50 HDAA Cn1c(=O)c2c(nc(NCc3ccccc3)n2CC(=O)c2ccccc2)n(C)c1=O 170624823 VHHWAKGBLQPGAA-UHFFFAOYSA-N 403.442 1.929 0 50 HDAA O=C(O)CC[C@]1(CCC(=O)N2CCCN(Cc3ccccn3)CC2)CCC(=O)N1 220249697 IDYOBIDEMCLIRX-OAQYLSRUSA-N 402.495 1.410 0 50 HDAA CCn1cc(NC(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C(=O)O)c(C(=O)NC2CCCCC2)n1 225694842 CQJVQYISJXRVRY-FPCVCCKLSA-N 404.467 1.782 0 50 HDAA CCC(=O)NCc1cc(S(=O)(=O)N2CCO[C@@H](C(=O)C3CC3)C2)ccc1OC 225830576 XXRMWJJRUBJWPO-QGZVFWFLSA-N 410.492 1.090 0 50 HDAA COC(=O)C1(NC(=O)c2csc(-c3ccccc3OC)n2)CCS(=O)(=O)CC1 239882017 CZVDXZWGNUPDSS-UHFFFAOYSA-N 424.500 1.669 0 50 HDAA CC[C@]1(C)c2sc(=O)[nH]c2S[C@@H]2[C@H]3C[C@@H]([C@@H]4C(=O)N([C@H](C)C(=O)O)C(=O)[C@H]43)[C@H]21 249693605 ODSRPHMFQGHMHT-XETJDSOZSA-N 422.528 1.919 0 50 HDAA CCOC(=O)c1cnn(C)c1NC(=O)CSc1nc(=O)cc(O)n1C1CCCC1 436200317 VNWARXKRLWXAIH-UHFFFAOYSA-N 421.479 1.705 0 50 HDAA CNC(=O)c1cc(S(=O)(=O)NCc2nncn2CCc2ccccc2)cs1 670438940 VMIWIOAFORNONU-UHFFFAOYSA-N 405.505 1.420 0 50 HDAA CNC(=O)c1ccc(S(=O)(=O)NCCc2nc(C)cc(C(F)(F)F)n2)cc1 1506399364 MNHBJITWKVUSKK-UHFFFAOYSA-N 402.398 1.684 0 50 HDAA Cc1c(CN2CCO[C@@]3(C[C@@H]4CC[C@H](C3)N4C(=O)c3ccc(=N)[nH]c3)C2)cnn1C 1857714424 UFMAKRIXCZAITR-NGRWLJPCSA-N 410.522 1.574 0 50 HDAA O=C1[C@@H]2CC=CC[C@H]2C(=O)N1Cc1nc(CC(=O)N(CC(F)(F)F)C2CC2)no1 1875265115 VUWVQDKNCWRJEV-VXGBXAGGSA-N 412.368 1.617 0 50 HDAA COc1ccc(S(=O)(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)cc1OC 665578 LVTLNXMBYSIEDE-UHFFFAOYSA-N 400.478 1.900 0 50 HDAA COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NCCc2cscn2)c(F)c1 12596593 UCJWZWTVIAGKPP-QGZVFWFLSA-N 406.483 1.340 0 50 HDAA COCCCN1C(=O)N(Cc2ccccn2)C(=O)C12CCN([C@H](C)COC)CC2 14747341 NVOHJUZLNGHJKA-QGZVFWFLSA-N 404.511 1.752 0 50 HDAA COC(=O)c1cn(C2CCN(C(=O)c3ccc(OC)cc3)CC2)cc2c(=O)[nH]nc1-2 263588152 PTBFUBNUCMHVAP-UHFFFAOYSA-N 410.430 1.949 0 50 HDAA COCC1(C(=O)N2CCC(N3C[C@H](COc4ccc(F)cc4)OCC3=O)CC2)CC1 1857681668 INVLILKFQOCMHQ-LJQANCHMSA-N 420.481 1.850 0 50 HDAA CN1CCCN(C[C@@H]2OCCN(C(=O)c3ccsc3)[C@H]2c2cnn(C)c2)CC1 1857691131 VJGYVILWCMWTPW-OALUTQOASA-N 403.552 1.701 0 50 HDAA Cc1ccc2cc1OCCNC(=O)C[C@@H]1CC[C@H](CNC2=O)N1Cc1cnn(C)c1 1857708405 SFQKVAAPLZFNIV-RBUKOAKNSA-N 411.506 1.390 0 50 HDAA COC(=O)CCc1ccc(S(=O)(=O)N[C@H]2C[C@H]3CO[C@@H](C(C)C)CN3C2)cc1 1857730081 XYJFCYSJWLWJOJ-JENIJYKNSA-N 410.536 1.568 0 50 HDAA N=c1cc(CN2CCC(N3C[C@H](COc4ccc(F)cc4)OCC3=O)CC2)cc[nH]1 1875248617 AYRWEJYTHMWBNE-HXUWFJFHSA-N 414.481 1.904 0 50 HDAA COC(C)(C)C(=O)N1CCCNC(=O)CC[C@H](c2ccccc2)CCNC(=O)C1 1940195653 VKBKHEKUTYYTIQ-SFHVURJKSA-N 403.523 1.830 0 50 HDAA Cc1c(C(=O)N[C@@H]2CCCN(C(=O)C(C)(C)OC(C)C)C2)cnn1CC(C)(C)O 2325829520 LNVQDUMRMRFZTK-MRXNPFEDSA-N 408.543 1.887 0 50 HDAA COCC(=O)N=S1(=O)CCC2(CC1)C[C@@H](NC(=O)c1ccc(F)cn1)CCO2 2332238305 KMZOJZCVUZJFRK-HVHLHXQKSA-N 413.471 1.303 0 50 HDAA COc1ccc(N(CC(=O)Nc2ccccc2C(N)=O)S(C)(=O)=O)c(OC)c1 1147795 GPJDLDBNQXIOIL-UHFFFAOYSA-N 407.448 1.207 0 50 HDAA CCCCNc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@@H](O)COc1ccc(OC)cc1 1835188 ZYBMARGNGIQUPG-CYBMUJFWSA-N 417.466 1.084 0 50 HDAA COc1cc(OC)nc(NC(=O)NS(=O)(=O)c2c(Cl)nc3ccccn23)n1 2564434 NAGRVUXEKKZNHT-UHFFFAOYSA-N 412.815 1.305 0 50 HDAA in-vitro CCN(C[C@@H]1CCCO1)C(=O)C[C@@]1(c2ccccc2F)CC(=O)N(CCOC)C1=O 11872329 ODZHTJKDZUCZFC-AOMKIAJQSA-N 420.481 1.886 0 50 HDAA Cc1cc(C)nc(CNC(=O)c2cccc(OC3CCN(S(C)(=O)=O)CC3)c2)n1 12054208 DSYKLWXGRCWJMG-UHFFFAOYSA-N 418.519 1.826 0 50 HDAA O=C(c1cccc(OC2CCN(C(=O)c3cnsn3)CC2)c1)N1CCOCC1 12479059 ZIIKZWJMNVJDLP-UHFFFAOYSA-N 402.476 1.694 0 50 HDAA COc1cccc(CN(C)CCn2ccnc2C)c1OC[C@H](O)CN1CCOCC1 20205085 HXGUCSMZFIEMRG-HXUWFJFHSA-N 418.538 1.404 0 50 HDAA O[C@@H](COc1cccc(CNCCc2cn3cccnc3n2)c1)CN1CCOCC1 20454646 JOLBTSFZCZURTF-HXUWFJFHSA-N 411.506 1.134 0 50 HDAA COC(=O)C1=C(C)N=c2s/c(=C/c3ccc[nH]3)c(=O)n2[C@H]1c1ccc(OC)cc1 32479646 AOENEKBXQRRCMO-FYXHJSOBSA-N 409.467 1.745 0 50 HDAA CC(C)(NC(=O)c1cccs1)C(=O)NC[C@H](c1ccncc1)N1CCOCC1 55133862 MGDPHRAKAGYVQC-MRXNPFEDSA-N 402.520 1.841 0 50 HDAA COc1ccc(C)cc1S(=O)(=O)N1CCN(c2cc(-n3cccn3)ncn2)CC1 65363556 KQKZHFKHKKJIKI-UHFFFAOYSA-N 414.491 1.490 0 50 HDAA COc1cccc(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N(C)Cc3ccon3)[C@@H]4C2=O)c1 77343216 QEOONVOPQFNLRY-VWNVYAMZSA-N 409.442 1.624 0 50 HDAA Cn1ccc(C(=O)N2CCC(N3CCC[C@@H](C(=O)NCc4cccnc4)C3)CC2)n1 82119925 OGJBGVHONQPWDW-GOSISDBHSA-N 410.522 1.448 0 50 HDAA O=C([C@H](Cc1ccccc1)N1C(=O)[C@H]2[C@H]3C=C[C@H]([C@H]2C1=O)[C@@H]1C[C@@H]31)N1CCOCC1 239159521 MGLINBZIRDXIBI-NUNROCCHSA-N 406.482 1.510 0 50 HDAA CCOc1ccc(OC[C@H](O)CN2CC[S@](=O)C[C@@H]2c2cnn(CC)c2)cc1 242273530 YDNKABBEMTWDKQ-KJFKMWBDSA-N 407.536 1.847 0 50 HDAA CCOC(=O)c1c[nH]nc1S(=O)(=O)N[C@H](c1ccccc1OC)c1nccn1C 818022962 ZHSMNOAKJQTFEU-OAHLLOKOSA-N 419.463 1.396 0 50 HDAA COc1ccc(OC)c2c1CN(C[C@H](O)c1ccc(S(C)(=O)=O)cc1)C[C@H]2O 917057160 QOAFPZMBXDVLST-DLBZAZTESA-N 407.488 1.690 0 50 HDAA Cc1ccc([C@H](C(=O)O)N2CCCN(S(=O)(=O)N3CCCCC3)CC2)cc1F 1529152687 NNECQIYTKQLTHW-GOSISDBHSA-N 413.515 1.998 0 50 HDAA COCCn1ccnc1-c1nccn1C1CCN(C2CCS(=O)(=O)CC2)CC1 1857732588 XFWUNSJQUFOTOC-UHFFFAOYSA-N 407.540 1.607 0 50 HDAA O=C(C[C@H]1CCCS1(=O)=O)NCC1(NC(=O)COc2ccccc2)CCCC1 1875344394 JEUGZUPTHXEKOR-QGZVFWFLSA-N 408.520 1.578 0 50 HDAA O=C(Cc1ccc(O)cc1)N1CCC2(CCc3c(O)nc(N4CCOCC4)nc32)CC1 1940193474 WZKYGZUKPPJCBX-UHFFFAOYSA-N 424.501 1.774 0 50 HDAA O=C(c1ccn(CC(F)F)n1)N1CCN(C(=O)c2ccn(CC(F)F)n2)CC1 2325816580 BKMGACGRCGYCPS-UHFFFAOYSA-N 402.352 1.208 0 50 HDAA COc1ccc(NC(=O)NCc2ccc3c(c2)C(=O)N([C@@H]2CCC(=O)NC2=O)C3)cc1 2325886777 IVNMOCCRRCWEJE-GOSISDBHSA-N 422.441 1.778 0 50 HDAA CCOC(=O)c1cnc(SCC(=O)N2CCN(c3ccccc3)CC2)nc1N 2891126 GVGNQJGJMGPJFW-UHFFFAOYSA-N 401.492 1.676 0 50 HDAA COC[C@@H](O)CNC(=O)C1CCN(C2CCN(Cc3ccccc3C)CC2)CC1 12052547 FTFLNOYLYOLGAE-QFIPXVFZSA-N 403.567 1.795 0 50 HDAA COC(=O)C1CCN(C[C@H](O)COc2ccc(CNC3CCOCC3)cc2)CC1 14956839 CJAUIZPQWXTMEM-FQEVSTJZSA-N 406.523 1.580 0 50 HDAA COc1cc(CN(C)Cc2cnccn2)ccc1OC[C@@H](O)CN1CCSCC1 15065899 GTEZHTVOFDMHIZ-IBGZPJMESA-N 418.563 1.906 0 50 HDAA COc1ccccc1N1CCN(CC(=O)Nc2nc(C)c(C(=O)N(C)C)s2)CC1 20343311 CTKRDDBIPDFHDW-UHFFFAOYSA-N 417.535 1.923 0 50 HDAA COC(=O)c1ccc(CNCc2cccc(OC[C@H](O)CN3CCOCC3)c2)cc1 20454583 MKVFTBFDDZZHDH-OAQYLSRUSA-N 414.502 1.835 0 50 HDAA COc1ccc(S(=O)(=O)NCCCN2CCN(C)CC2)cc1Br 20726314 BBUYCMRFCAAERW-UHFFFAOYSA-N 406.346 1.374 0 50 HDAA Cc1nc(-c2c3n(c(=O)n(CC(=O)Nc4ccc(F)cc4F)c2=O)CCCC3)no1 169763903 DPLKHJIXYGJNGK-UHFFFAOYSA-N 417.372 1.622 0 50 HDAA COC(=O)c1cnc(O)c([C@H](CC(N)=O)c2cc3ccc(OC)cc3nc2O)c1O 253623686 GRZLHOZHXDOFGG-LLVKDONJSA-N 413.386 1.549 0 50 HDAA biogenic Cc1ccc(S(=O)(=O)NCCCNC(=O)CCn2c(O)nc3ccccc32)cc1 670447866 SBUMIZDMWOZYDT-UHFFFAOYSA-N 416.503 1.925 0 50 HDAA CC(C)C(=O)N1CCOC2(CCN(C(=O)c3cnc4sccn4c3=O)CC2)C1 820619815 QIMYMQBGCQARCF-UHFFFAOYSA-N 404.492 1.246 0 50 HDAA COCCc1noc([C@@H]2CCCCN2S(=O)(=O)c2ccsc2C(=O)O)n1 1506397087 MWYKAYKTNSAKNN-JTQLQIEISA-N 401.466 1.934 0 50 HDAA Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1NC(=O)c1cc(-c2ccccn2)[nH]n1 1529174272 SJMCGEPJIGXZHT-ZDUSSCGKSA-N 400.464 1.897 0 50 HDAA COc1ccc([C@@H]2[C@@H](CO)OCCN2C(=O)Cc2ccc3c(c2)OCO3)cc1OC 1529180995 OSUIFLJGYDJDDG-IFMALSPDSA-N 415.442 1.936 0 50 HDAA Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1NC(=O)c1ccc(Cn2cnnn2)cc1 1529181353 NAFWHUQATPZJOM-INIZCTEOSA-N 415.479 1.147 0 50 HDAA O=C(c1ccncc1)N1C[C@@H]2CN(C(=O)c3nc4c(s3)CCCC4)C[C@]2(CO)C1 1772704640 DENMIVHMOVGEPO-VFNWGFHPSA-N 412.515 1.624 0 50 HDAA CC(C)C[C@@H]1[C@H](C(=O)NCc2ncc[nH]2)C[C@@H]2CN(C3CCOCC3)CC(=O)N21 1857691872 ZLUIXPSNJFHDMF-KZNAEPCWSA-N 403.527 1.152 0 50 HDAA Cc1nc(C)c(CC(=O)N[C@@H]2CCCC[C@H]2NC(=O)CCN2C(=O)CCC2=O)s1 1875322000 FIXVNKKHCZCKNR-HUUCEWRRSA-N 420.535 1.385 0 50 HDAA CNC(=O)C1(C(=O)NC[C@H](NC(=O)c2ccc(Br)o2)C2CC2)CCC1 1875360702 GPKPLGWUAOGGBD-NSHDSACASA-N 412.284 1.583 0 50 HDAA O=C(C[C@@H]1C(=O)NCCN1Cc1ccc2ccccc2c1)NCCc1cnccn1 11815545 KXLGAHZMUXWVFP-OAQYLSRUSA-N 403.486 1.679 0 50 HDAA COc1ccc(C)cc1S(=O)(=O)N1CCN(c2ccc(-n3cccn3)nn2)CC1 13009247 RSKWXUYDEDJIDF-UHFFFAOYSA-N 414.491 1.490 0 50 HDAA COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCN(C)CC3)C2)cc1Cl 19900211 LIGQDQQUJSEIQD-CQSZACIVSA-N 415.943 1.523 0 50 HDAA c1ccc(Cc2n[nH]c(Cn3nnnc3[C@@H](c3ccccc3)N3CCOCC3)n2)cc1 65383629 KWKLAIGSMPCLEB-OAQYLSRUSA-N 416.489 1.852 0 50 HDAA CN(C[C@H]1CCCN(CCc2ccccc2F)C1)C(=O)Cn1ccc(=O)[nH]c1=O 95496673 DPMODWAXWBONKV-MRXNPFEDSA-N 402.470 1.089 0 50 HDAA COC(=O)C1=CN(CC(=O)Nc2ccccc2C(F)(F)F)S(=O)(=O)N=C1C 169771846 BFGHEGOIAGYEEE-UHFFFAOYSA-N 405.354 1.722 0 50 HDAA Cn1ccc(CC(=O)N2CC[C@H](N(Cc3ccccc3)C(=O)Cc3ccn(C)n3)C2)n1 170611333 DIIITKRDEASHSS-NRFANRHFSA-N 420.517 1.569 0 50 HDAA CCCCOC(=O)Cn1c(=O)c2nc3cc(-c4ccccn4)oc3nc2n(C)c1=O 225401467 AZHHCFHUFZDDLJ-UHFFFAOYSA-N 409.402 1.642 0 50 HDAA O=C(O)[C@@H]1[C@H]2CC[C@@H](O2)[C@@H]1C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 225747082 OKDJJEATYLQQOR-YIYPIFLZSA-N 423.472 1.761 0 50 HDAA O=C(Cn1cc2ccccc2n1)N1CCCN(S(=O)(=O)N2CCCCC2)CC1 952982656 BXRATYKWJKXHRK-UHFFFAOYSA-N 405.524 1.301 0 50 HDAA O=C1NCCN(Cc2ccccc2)[C@@H]1CC(=O)N1CCc2[nH]nc(C3CC3)c2CC1 1857670741 YEDSQTBDJOJGGN-HXUWFJFHSA-N 407.518 1.605 0 50 HDAA CC[C@H]1[C@@H](C(=O)OC)C[C@H]2CN(C(=O)CCc3n[nH]c4c3CCCC4)CC(=O)N21 1857727151 MBGAKHRIWAKSKW-YEWWUXTCSA-N 402.495 1.232 0 50 HDAA CN1CC[C@@H](C(=O)N(C)C[C@H]2CCCN2C(=O)c2csc3nnsc23)C1=O 1875360341 GDDDRUURXITYHP-GHMZBOCLSA-N 407.521 1.294 0 50 HDAA O=C1CC[C@H](N2Cc3cc(C(=O)Nc4ccc5c(c4)CNCC5)ccc3C2=O)C(=O)N1 2325896330 WNSHDLCHYYBCOF-IBGZPJMESA-N 418.453 1.346 0 50 HDAA COCCS(=O)(=O)c1ncc(CN2CCCC[C@H]2CO)n1Cc1ccccc1 12299638 OFCGWBMGHBLZBF-SFHVURJKSA-N 407.536 1.698 0 50 HDAA C[C@H](NC(=O)[C@@H]1COc2ccccc2O1)C(=O)N1CCN(Cc2ccccc2)CC1 13691087 RVMUKSKGGZWKAY-UWJYYQICSA-N 409.486 1.676 0 50 HDAA COc1ccc(NC(=O)c2cn(CCNC(=O)[C@@H]3Cc4ccccc4O3)nn2)cc1 14993408 HRDBKDMZEKUYNK-IBGZPJMESA-N 407.430 1.659 0 50 HDAA O=C(CCCn1nnnc1CN1CCOCC1)N1CC[C@H](c2ccccc2F)C1 19740327 FWSGMZNMSMLHSU-INIZCTEOSA-N 402.474 1.441 0 50 HDAA COc1ccc(-c2cc(C(=O)NCc3cccnc3)n[nH]2)cc1S(=O)(=O)N(C)C 21806312 PEJVNMJCOHNTFU-UHFFFAOYSA-N 415.475 1.661 0 50 HDAA COc1cccc(CN2CCC[C@](O)(CNCc3cnc(C)cn3)C2=O)c1OC 67895055 WYXAYCUJRANYSI-NRFANRHFSA-N 400.479 1.446 0 50 HDAA NC(=O)C1(NC(=O)[C@H]2CCCN(C3CCN(Cc4cccnc4)CC3)C2)CCCC1 82096839 GQNLZWCYSUEQCT-IBGZPJMESA-N 413.566 1.672 0 50 HDAA COc1ccc(OC2CCN(C(C)=O)CC2)c(C(=O)N[C@H](C)Cn2cncn2)c1 95497762 BIBLWUZNWFDCJC-CQSZACIVSA-N 401.467 1.495 0 50 HDAA N[C@H]1[C@@H]2CN(c3nc4c(cc3F)c(=O)c(C(=O)O)cn4-c3ccc(F)cc3F)C[C@H]12 100030989 WVPSKSLAZQPAKQ-CDMJZVDBSA-N 416.359 1.895 0 50 HDAA world CN(CC(=O)N[C@@H]1C2CN3CCN(C2)CC1(c1ccccc1)C3)Cc1ccncc1 670436794 RBXGWMKJCOVKRY-SDPJGKNGSA-N 405.546 1.197 0 50 HDAA CNc1nc(C(N)=O)c(NC(=O)[C@H]2CC(=O)N(Cc3ccccc3OC)C2)s1 1506404675 FEGUXMDUXAUEJF-NSHDSACASA-N 403.464 1.280 0 50 HDAA O=C1OC[C@H]2CN(S(=O)(=O)c3ccc(-c4cc(C(F)(F)F)n[nH]4)o3)CCN12 1506425659 CGGBXAOPSGHLFL-MRVPVSSYSA-N 406.342 1.514 0 50 HDAA CN(C)C[C@]12CN(C(=O)CCc3ccsc3)C[C@H]1CN(C(=O)Cn1cccn1)C2 1772708806 CIYRIEITFDDROE-GHTZIAJQSA-N 415.563 1.426 0 50 HDAA CCn1ncc(C(=O)NC[C@H]2CN(CC3CCN(CC4CC4)CC3)C(=O)CO2)c1C 1857672609 HVDKSKNXMQJTAC-IBGZPJMESA-N 417.554 1.291 0 50 HDAA Cn1cc([C@H]2[C@H](CN3CCCCC3)OCCN2C(=O)c2c(Cl)cnn2C)cn1 1857726068 VQAZIOWWUCQASG-IRXDYDNUSA-N 406.918 1.875 0 50 HDAA O=S(=O)(Nc1nonc1NS(=O)(=O)c1ccc(F)cc1)c1ccc(F)cc1 784773 AXJPMLMDTSJXGF-UHFFFAOYSA-N 416.387 1.949 0 50 HDAA COc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1 899579 NTZSXXAPZNKLEE-UHFFFAOYSA-N 414.480 1.530 0 50 HDAA O=C(Nc1ccc(N2CCOCC2)c(S(=O)(=O)N2CCOCC2)c1)C1CCCC1 4418055 PLAQBHPBVPCLTM-UHFFFAOYSA-N 423.535 1.673 0 50 HDAA CNC(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(OC)c(OC)c1 16276186 STAXFGKMJYSCJV-UHFFFAOYSA-N 424.475 1.662 0 50 HDAA COc1cc(OC)cc(C(=O)NC[C@H]2CCCN(C(=O)CN3CCCC3=O)C2)c1 19146429 POPLSPGGQYSSOP-OAHLLOKOSA-N 403.479 1.295 0 50 HDAA c1ccc([C@@H]2N=C3NCN(CCN4CCOCC4)CN3c3nc4ccccc4n32)cc1 20101262 HEWANXLSNLGUSP-OAQYLSRUSA-N 417.517 1.912 0 50 HDAA CCN1CCN(C[C@H](O)COc2ccc(CN(C)Cc3ccon3)cc2OC)CC1 20601715 MKAKCOSWRAYFHA-FQEVSTJZSA-N 418.538 1.692 0 50 HDAA COc1cccc(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N(C)CCn3cccn3)[C@H]4C2=O)c1 77321013 AAUXSVSTXXTWFS-MXBUBSDBSA-N 422.485 1.332 0 50 HDAA CN(Cc1ccco1)C(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(c4ccc(CCO)cc4)C(=O)[C@@H]13)O2 77471587 XFSZADIVTTTXTJ-VAWZGJIGSA-N 408.454 1.759 0 50 HDAA COc1ccc(C(=O)NC[C@@H]2CN(CC3CCN(CC4CC4)CC3)C(=O)CO2)o1 299798112 PNWDDSYASAIRBX-QGZVFWFLSA-N 405.495 1.367 0 50 HDAA Cc1[nH]c2ccnn2c(=O)c1CC(=O)N1C[C@H]2CCC[C@@]2(c2nc(C(C)C)no2)C1 328603962 HWABISJKCUVITJ-SPLOXXLWSA-N 410.478 1.960 0 50 HDAA CCCC[C@H]1C(=O)N(C)CCN1C(=O)c1ccc(OCC(=O)N2CCOCC2)cc1 952985443 HEBBZMPXTAYNDG-IBGZPJMESA-N 417.506 1.397 0 50 HDAA CCCNS(=O)(=O)c1ccc(C(=O)N2C[C@H](O)[C@H](Cc3cc(C)[nH]n3)C2)cc1 1704350795 PEPKXWXYNVKTAH-QAPCUYQASA-N 406.508 1.082 0 50 HDAA CCCCN1C[C@H]2CN(C(=O)CN(c3cccc(C)c3)S(C)(=O)=O)C[C@@]2(CO)C1 1772816153 LCEIYGNJWVCJBF-GHTZIAJQSA-N 423.579 1.314 0 50 HDAA CCOC(=O)[C@@]12CC[C@H](N3CCOCC3)C[C@H]1CCN(Cc1c[nH]nc1C(=O)O)C2 1857691163 XGRKORORJIWGCP-LLGFUMIMSA-N 420.510 1.364 0 50 HDAA O=C1CN(c2nc(-c3ccccc3)nc3c2CCC32CCN(CCCO)CC2)CCN1 1857707263 KSVAKEIOGVMMFZ-UHFFFAOYSA-N 421.545 1.742 0 50 HDAA COc1ccccc1-c1noc(CCCC(=O)N2C[C@H]3COC[C@@H](C2)C(=O)N3)n1 1875248180 BKKOMGLPMOMAFT-KGLIPLIRSA-N 400.435 1.041 0 50 HDAA Cc1nnc(C(=O)N(C)C2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H]2CC[C@@H]3CCC(=O)N23)s1 1875362030 MTIGCSIOFVLWKZ-JDOFQRQTSA-N 417.535 1.594 0 50 HDAA CC(=O)N(C)[C@@H](C(=O)NCCN1CCCS1(=O)=O)c1c(F)cccc1Cl 2325736695 MIUFSTVAFLSVJD-OAHLLOKOSA-N 405.879 1.150 0 50 HDAA O=C1CC[C@H](N2Cc3ccc(CN=c4ccc(C(F)(F)F)c[nH]4)cc3C2=O)C(=O)N1 2325897698 FALNLYXULLXDPW-HNNXBMFYSA-N 418.375 1.895 0 50 HDAA O=C(O)c1ccc(C(=O)c2ccc3c(c2)C(=O)N(NC(=O)c2ccncc2)C3=O)cc1 3146356 SQEQFVOBKBOLBF-UHFFFAOYSA-N 415.361 1.952 0 50 HDAA CC(C)CCN1CCNC(=O)[C@H]1CC(=O)N1CCC(OCc2cccnc2)CC1 11821956 LGXPQSHNRGDBMY-HXUWFJFHSA-N 402.539 1.826 0 50 HDAA O=C(CN1C(=O)COc2ccccc21)NCCCN1CCN(Cc2ccccc2)CC1 20688194 RNMUXJXDYNIQDQ-UHFFFAOYSA-N 422.529 1.736 0 50 HDAA COc1ccc(F)c(CN2CCc3nnc(CCNC(=O)[C@@H]4CCCO4)n3CC2)c1 20995863 DHTTXPMFYLASLM-SFHVURJKSA-N 417.485 1.322 0 50 HDAA COc1cc(NC(=O)CN2CCN(C(=O)[C@@H]3CCCO3)CC2)c(OC)cc1Cl 35800922 PXVFNLPCYKTGHE-HNNXBMFYSA-N 411.886 1.619 0 50 HDAA CCc1ccc(NC(=O)C2CCN(C(=O)c3nnn4cc(C)[nH]c(=O)c34)CC2)cc1 169768931 XYFCMIVLNHYISE-UHFFFAOYSA-N 408.462 1.779 0 50 HDAA CC[C@H](C)N1C(=O)[C@H]2[C@H](C1=O)[C@]1(N[C@H]2[C@H](C)O)C(=O)Nc2c1ccc(Cl)c2C 245256321 OWTVRJFUUJRVCS-CQPGOZPCSA-N 405.882 1.548 0 50 HDAA Cn1c(O)nc2ccc(NC(=O)c3cccc(CN4CCS(=O)(=O)CC4)c3)cc21 443168607 BFKHKMLVTKLJDG-UHFFFAOYSA-N 414.487 1.762 0 50 HDAA CC(C)N1CCO[C@@H](CN2CCN(C(=O)c3cc(N4CCCC4)ccn3)CC2)C1 446049060 XOVFZRMWJCGAAR-FQEVSTJZSA-N 401.555 1.549 0 50 HDAA Cc1ccc(NS(=O)(=O)c2ccc(C(=O)O[C@@H]3CCC(=O)NC3=O)cc2)cc1 798586616 CEFBEZGUHCWYIY-MRXNPFEDSA-N 402.428 1.758 0 50 HDAA COCCc1noc([C@@H]2CCCN(C(=O)CN3CCOc4ccccc4C3)C2)n1 952981087 UBZBHTKYHAFCHE-QGZVFWFLSA-N 400.479 1.859 0 50 HDAA CCOCC(=O)N1CCC[C@@]2(CCc3c2nc(-c2cccnc2)[nH]c3=NCCO)C1 1875247217 GCADBUGXWZQVSA-JOCHJYFZSA-N 411.506 1.208 0 50 HDAA N=c1nc([C@H]2CCN(C(=O)c3cn(-c4cccc(Br)c4)nn3)C2)[nH][nH]1 1875353521 WAVZZQQDFWKYNG-VIFPVBQESA-N 403.244 1.190 0 50 HDAA O=C(Cc1ccccc1F)N[C@@H]1CCC[C@@H](CN2CCN(c3nc[nH]n3)CC2)C1 2356163457 DTICCTSBIAMBAR-SJLPKXTDSA-N 400.502 1.984 0 50 HDAA O=C1CN(C[C@@H](O)CO)C[C@@H](OCc2cccc(F)c2)CN1CCc1ccccc1 14753538 GWGVUAHMDQBCFV-FGZHOGPDSA-N 416.493 1.451 0 50 HDAA COCCN1CCN(Cc2ccc(OC)c(OC[C@H](O)CN3CCCCC3)c2)CC1 19608551 IPZZZGWZCCWGFV-OAQYLSRUSA-N 421.582 1.685 0 50 HDAA COCCn1c(CN(C)CCN2CCOCC2)cnc1S(=O)(=O)CC(C)(C)C 20138331 JWFRLQJAAALYSB-UHFFFAOYSA-N 416.588 1.113 0 50 HDAA COc1cccc(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N(C)Cc3ccncn3)[C@@H]4C2=O)c1 77337334 UCQDMSNXCIHCSN-GJPOJAMWSA-N 420.469 1.426 0 50 HDAA O=C1CN(C(=O)c2ccc(NC(=O)CC3(n4cccc4)CCOCC3)cc2)CCN1 263587241 DUVHOPBOGFXKIJ-UHFFFAOYSA-N 410.474 1.595 0 50 HDAA O=C(NC[C@H]1CN(C2CCN(C3CCC3)CC2)C(=O)CO1)c1ccc(F)cc1F 299790694 CJLWMKKQKQDFII-KRWDZBQOSA-N 407.461 1.939 0 50 HDAA O=C(N[C@@H]1CC(=O)N([C@H]2C[C@@H]2c2ccccc2)C1)c1ccc(-c2nc(=O)o[nH]2)cc1 440403524 SOGZBIVAPWJWSK-KURKYZTESA-N 404.426 1.917 0 50 HDAA CCS(=O)(=O)N1CCC[C@@H](C(=O)N2CCC(O)(Cc3cccc(F)c3)CC2)C1 474830039 LRKJAGDWYATUSH-QGZVFWFLSA-N 412.527 1.783 0 50 HDAA O=S(=O)(NC[C@@H](c1ccccn1)N1CCOCC1)c1ccc2nc(O)sc2c1 670444873 LCRQNYGOEBGZAF-INIZCTEOSA-N 420.516 1.749 0 50 HDAA Cc1cccc(-c2ccccc2C(=O)N2C[C@@H](O)[C@H](CS(=O)(=O)N(C)C)C2)c1 1529151173 HEFCDMYTSHRCML-FXAWDEMLSA-N 402.516 1.986 0 50 HDAA COC(=O)[C@]1(C)CCCN(c2ncnc3c2ncn3C[C@@H](CO)[C@H]2CCOC2)C1 1857532706 KRVUVXDCDSTTNN-AUSJPIAWSA-N 403.483 1.251 0 50 HDAA CCOC(=O)N1CCN(C(=O)CN(c2ccc(OCC)cc2)S(C)(=O)=O)CC1 894179 AGIHFNUDUGVWRZ-UHFFFAOYSA-N 413.496 1.152 0 50 HDAA COc1cccc(N2C(=O)c3ccc(C(=O)Nc4c[nH]c(=O)[nH]c4=O)cc3C2=O)c1 1208684 YVLJZBURASHENC-UHFFFAOYSA-N 406.354 1.125 0 50 HDAA COc1cc(CNCC(C)(C)CN(C)C)ccc1OC[C@H](O)CN1CCC(O)CC1 11816627 FKGLCGSRAXUJLA-HXUWFJFHSA-N 423.598 1.569 0 50 HDAA CC(C)[C@H]1NC(=O)[C@H]2CN(Cc3ccc(CN4CCCCC4)s3)CCN2C1=O 14536371 VXBGHEIRBMEGPO-RTBURBONSA-N 404.580 1.901 0 50 HDAA CCn1cc(/C=c2/sc3n(c2=O)[C@H]2c4ccccc4O[C@@](C)(N=3)[C@H]2C(C)=O)c(C)n1 17093135 SOBALLGPMFYLMM-CXJUAIFFSA-N 422.510 1.800 0 50 HDAA CCN1CCN(C[C@@H](O)COc2cccc(CN(C)Cc3cn(C)nc3C)c2)CC1 19337154 OHZYXOILPRCPDC-JOCHJYFZSA-N 415.582 1.738 0 50 HDAA COc1cc(C(=O)N[C@@H](C)c2nncn2C)ccc1OC1CCN(C(C)=O)CC1 95518305 KUJOGDRIRNTZQW-ZDUSSCGKSA-N 401.467 1.704 0 50 HDAA C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)C(=O)CNC(=O)OCc1ccccc1 111010177 BMDWEOAHAPLSMY-AWEZNQCLSA-N 405.476 1.780 0 50 HDAA COc1ccccc1CC(=O)NC1CCN(C(=O)c2cc3c(=O)[nH]c(C)cn3n2)CC1 169776985 MFICKGWNSMHFFD-UHFFFAOYSA-N 423.473 1.303 0 50 HDAA Cc1ccc(S(=O)(=O)NCCCNC(=O)c2cc(C(F)(F)F)nn2C)cc1 825176927 UVDGXVPYFVJPOT-UHFFFAOYSA-N 404.414 1.846 0 50 HDAA CN(C(=O)[C@H]1CC(=O)Nc2cc(F)ccc21)S(=O)(=O)c1ccc2c(c1)OCCO2 916833692 TVQBRXLXGHHIFB-AWEZNQCLSA-N 420.418 1.870 0 50 HDAA CCNC(=O)[C@@H]1CCN(S(=O)(=O)c2ccc(-c3cc(C(F)(F)F)n[nH]3)o2)C1 952981142 CKFREPSNPJOJCA-SECBINFHSA-N 406.386 1.835 0 50 HDAA COC1(C(=O)N2CCC[C@@H]2CO)CCN(C(=O)Cc2n[nH]c3ccccc23)CC1 1857702052 XUFQJKDXQOVOCB-OAHLLOKOSA-N 400.479 1.096 0 50 HDAA CC(=O)N[C@H](Cc1c[nH]c2cc(F)ccc12)C(=O)NC[C@@H]1[C@H](C)N(C)CCN1C 1875258982 FKMHGIVQAHQPOL-CJMONDIMSA-N 403.502 1.105 0 50 HDAA COc1ccc(Cc2nnnn2CC(=O)Nc2ccc3c(c2)CCN3C(C)=O)cc1F 2332237506 BJKUQTBKOZNIIL-UHFFFAOYSA-N 424.436 1.959 0 50 HDAA CCOC(=O)[C@@H]1[C@@H](c2ccc(OC)cc2OC)NC(=S)N[C@]1(O)C(F)(F)F 4269877 XNSMAEPYIRYMCY-YWPYICTPSA-N 408.398 1.653 0 50 HDAA COCCNC(=O)c1cn([C@@H]2CCCN(C(=O)COc3ccccc3Cl)C2)nn1 12191550 NREMCJMPFYTEHD-CQSZACIVSA-N 421.885 1.550 0 50 HDAA COCC(=O)N1CCC(Oc2ccc(C(=O)NCCCN3CCCC3)cc2)CC1 19836138 KKIQULRUBPEKGQ-UHFFFAOYSA-N 403.523 1.919 0 50 HDAA CN(Cc1nc(-c2cccs2)no1)C(=O)[C@@H]1CCCN(S(=O)(=O)N(C)C)C1 67602039 RSLWZGARPLYBEP-GFCCVEGCSA-N 413.525 1.275 0 50 HDAA COc1cccc(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N(C)Cc3cc(C)no3)[C@@H]4C2=O)c1 77421433 ZMNYCELQMDIITC-VAWZGJIGSA-N 423.469 1.932 0 50 HDAA CCC(CC)CN1C[C@]23C=C[C@H](O2)[C@@H](C(=O)N2CCN(C(=O)OC)CC2)[C@@H]3C1=O 77426828 BMKBDQUHFRPINL-WCLQXYBISA-N 405.495 1.115 0 50 HDAA CCn1nccc1C(=O)N1CCC(N2CCC[C@@H](C(=O)NCc3ccccn3)C2)CC1 82096416 SPGDMNQQDGESEY-GOSISDBHSA-N 424.549 1.931 0 50 HDAA O=C(C[C@@H]1COCCN1)N1CCC2(CCC(=O)N(CCc3ccccn3)C2)CC1 95368321 MCKSORTYGKSUKV-LJQANCHMSA-N 400.523 1.234 0 50 HDAA COc1ccc(CCN2C(=O)C[C@@H](N3CCN(c4ccccn4)CC3)C2=O)cc1OC 95393641 ITYBBGVECHLGBK-GOSISDBHSA-N 424.501 1.591 0 50 HDAA CNS(=O)(=O)Nc1ccc(NC(=O)c2ccc(N3C[C@H](C)O[C@@H](C)C3)nc2)cc1 684864628 JBZRCHAGQFWLFT-KBPBESRZSA-N 419.507 1.824 0 50 HDAA Cc1c(C(=O)NCC2CCN(CCS(=O)(=O)c3ccccc3)CC2)cnn1C 828204402 ADRUJWJVTQJSQT-UHFFFAOYSA-N 404.536 1.644 0 50 HDAA CC(C)[C@H](C(=O)N1CCCN(c2ncnc3[nH]cnc23)CC1)N1C[C@@H](C)O[C@H](C)C1 1875263922 RELYDSFVHSWIJK-JFIYKMOQSA-N 415.542 1.525 0 50 HDAA CCCN1C[C@H](NC(=O)N2CCN(C(=O)c3ccc(C)c(OC)c3)CC2)CC1=O 1875312733 RXXIGWGKOGNKRE-QGZVFWFLSA-N 402.495 1.482 0 50 HDAA O=C(O)c1cncc(-n2cc(CC[C@H](O)CCNC(=O)c3cncc(F)c3)nn2)c1 1875325427 XPFOVLMETCLRFZ-KRWDZBQOSA-N 414.397 1.008 0 50 HDAA COc1ccc(CN2CCC3(CCc4c(O)nc(N5CCOCC5)nc43)CC2)cn1 2100477157 KTSVHLYGBCHYIR-UHFFFAOYSA-N 411.506 1.902 0 50 HDAA Cc1cc(C(=O)N2CC[C@]3(C2)C(=O)N(CCO)c2ccccc23)c2c(C)noc2n1 2100477182 MZERFIOLFWZWHV-JOCHJYFZSA-N 406.442 1.962 0 50 HDAA O=C(CN1C(=O)CNC1=O)N1C[C@@H]2C[C@H](C1)[C@@H]1CCCCN1[C@H]2Cc1ccccc1 2356146973 CEHMSQWRJPKEGU-FYQPLNBISA-N 410.518 1.482 0 50 HDAA COc1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCN(C(C)=O)CC3)c2)cc1 6152188 FZLQHSBYZAHBMJ-UHFFFAOYSA-N 417.487 1.800 0 50 HDAA CCN(CCO)C(=O)C[C@]1(c2ccc(OC)cc2)CC(=O)N(CCC(C)C)C1=O 12099319 QJBUNTFSEVBIBD-JOCHJYFZSA-N 404.507 1.969 0 50 HDAA COC(=O)C1CCN(C[C@H](O)COc2cccc(CNCCn3ccnc3)c2)CC1 12303340 MNJGZPCCVYMKNU-FQEVSTJZSA-N 416.522 1.298 0 50 HDAA COc1ccc(OC)c(C(=O)NCCn2cc(C(=O)NCc3cccs3)nn2)c1 12456332 MGGDVKNFLQKPMK-UHFFFAOYSA-N 415.475 1.717 0 50 HDAA O=C1CN(C(=O)[C@@H]2CCOC2)C[C@@H](OCc2ccccn2)CN1Cc1ccccc1 14537182 RXZKJXZQFZOGMH-CTNGQTDRSA-N 409.486 1.874 0 50 HDAA O=C(C[C@@H]1C(=O)NCCN1Cc1cccs1)NCc1ccc(-n2cccn2)cc1 15064313 DXODZONJQFDUBK-LJQANCHMSA-N 409.515 1.941 0 50 HDAA Cc1nnc(CN(C)C(=O)C[C@@H]2C(=O)NCCN2Cc2c(F)cccc2Cl)o1 15077317 FBQSYEVBWMWJON-OAHLLOKOSA-N 409.849 1.520 0 50 HDAA COc1ccccc1N1CCN(C(=O)CC[C@@]2(CCC(=O)O)CCC(=O)N2)CC1 218591184 LHWFQTLJYQKKKE-OAQYLSRUSA-N 403.479 1.638 0 50 HDAA COc1ccc(C(=O)COC(=O)[C@H](C)N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@@H]45)[C@H]3C2=O)cc1 245311710 QOIYRHHYTUAKSA-NEFICINASA-N 409.438 1.863 0 50 HDAA C[C@@H]1O[C@H](Oc2ccc(-c3cc(=O)c4c(O)cc(O)cc4o3)cc2)[C@H](O)[C@H](O)[C@H]1O 255998754 RDBPZZVIYGFJKU-PSEYTLPESA-N 416.382 1.078 0 50 HDAA biogenic CNc1cc(N2CCC[C@H]2CNC(=O)NCCN2CCc3sccc3C2)ncn1 465759364 RCFRRLLZWLIVPC-INIZCTEOSA-N 415.567 1.906 0 50 HDAA O=C(NCc1ccnc(N2CCOCC2)c1)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O 780385205 NSAXCXHLYHWKSN-IBGZPJMESA-N 423.473 1.895 0 50 HDAA O=C(c1ccco1)N1CCCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 952972380 CJIAWIRZBQBOMR-UHFFFAOYSA-N 406.460 1.978 0 50 HDAA NC(=O)CC[C@H](NC(=O)CCC1CCCC1)C(=O)NCc1cccc2c1OCCO2 1472274469 HVLRWFURGWKLPR-KRWDZBQOSA-N 417.506 1.795 0 50 HDAA CN1CCC(n2nccc2NC(=O)C[C@@H]2C(=O)NCCN2Cc2ccccc2)CC1 1506407435 IUXQASHUPULQKH-LJQANCHMSA-N 410.522 1.479 0 50 HDAA O=C(CN1CC[C@H](O)[C@](CO)(Cc2ccccc2)C1)NCCc1ccc(F)cc1 1529190880 OHYDOROULABQRU-JTHBVZDNSA-N 400.494 1.772 0 50 HDAA COCCOCCN1CCC(N2C[C@H](COc3ccc(F)cc3)OCC2=O)CC1 1857691826 FBVHPAVEPGVAFP-HXUWFJFHSA-N 410.486 1.559 0 50 HDAA O=C(N[C@H]1CC[C@H](O)CC1)[C@@H]1CC(=O)N(c2nnc(Cc3ccccc3)s2)C1 1857711557 GLBSPUZNIRFNPT-BZUAXINKSA-N 400.504 1.902 0 50 HDAA NS(=O)(=O)CCCC(=O)N1CC[C@]2(C1)C(=O)N(CC1CCC1)c1ccccc12 2100556188 HQVDNTLFUZSYCQ-HXUWFJFHSA-N 405.520 1.372 0 50 HDAA O=C([C@H]1CCCCn2nnnc21)N1CCc2nc(CCc3ccccc3)nn2CC1 2356166669 IHAGJVLLHYJQNO-KRWDZBQOSA-N 406.494 1.402 0 50 HDAA O[C@@H]1[C@H](O)[C@H](O)O[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@H]1O 4722028 WMNZCEKHTHLIRQ-URYYLNOGSA-N 422.477 1.795 0 50 HDAA in-vitro COc1ccc(C)cc1N(CC(=O)N1CC(=O)Nc2ccccc21)S(C)(=O)=O 5060765 BEAPKWCHTFLDLI-UHFFFAOYSA-N 403.460 1.755 0 50 HDAA CS(=O)(=O)CC[C@@H](C(=O)NCCc1ccccc1)N1Cc2ccccc2C1=O 6780043 AMVIZXNDJFSUHL-IBGZPJMESA-N 400.500 1.805 0 50 HDAA COc1ccc(F)cc1S(=O)(=O)N1CCC(C(=O)NC[C@H]2CCCO2)CC1 10302857 SQJLLEIHLZLWAL-OAHLLOKOSA-N 400.472 1.530 0 50 HDAA CCOC(=O)CN(C)Cc1cnc(S(=O)(=O)CC2CCCCC2)n1CCOC 39490191 PKQUSLGLEIWYJA-UHFFFAOYSA-N 415.556 1.878 0 50 HDAA CCOC(=O)c1n[nH]cc1CN1CCN(Cc2ccc(OC)cc2F)[C@H](CCO)C1 43071717 PNVKSTOADUXIEL-QGZVFWFLSA-N 420.485 1.803 0 50 HDAA O=C(N[C@@H]1CCNC1=O)C1CCN(C2CCN(CCCc3ccccc3)CC2)CC1 82167060 AWQRSAZZSUJWBG-JOCHJYFZSA-N 412.578 1.800 0 50 HDAA COCC(=O)Nc1cc(CNC(=O)c2ccc3nccnc3c2)cc(C(=O)OC)c1 299784819 KYMHDJONIQNPLA-UHFFFAOYSA-N 408.414 1.931 0 50 HDAA O=C1CO[C@H](COc2ccc(F)cc2)CN1C1CCN(CCn2cccn2)CC1 299793574 HWJZUFFETJSZBX-FQEVSTJZSA-N 402.470 1.793 0 50 HDAA Cc1nc(CN2CCC(N3C[C@H](COc4ccc(F)cc4)OCC3=O)CC2)n(C)n1 299793599 JRPBQNMZXAQWJV-LJQANCHMSA-N 417.485 1.533 0 50 HDAA O=C(Nc1cccc(S(=O)(=O)N2C[C@@H]3C[C@H]4C[C@H]3[C@@H]2[C@@H]4O)c1)c1cnccn1 408521588 ZSDCQBORCUMDAR-OTRYGVMCSA-N 400.460 1.119 0 50 HDAA COc1ccc2cc1OCCn1cc(nn1)CCC(=O)N[C@@H]1CCN(C2=O)[C@H](C)C1 1704324268 MQHSQRNOBVKRIR-GDBMZVCRSA-N 413.478 1.421 0 50 HDAA CN(C)c1nc2c(c(N3C[C@H]4CN(Cc5ccns5)C[C@@]4(CO)C3)n1)CCCC2 1772809828 FMEOMOSNDALFOH-VFNWGFHPSA-N 414.579 1.809 0 50 HDAA CN(C)[C@@H]1CS(=O)(=O)[C@H]2CN(Cc3cnc4c(-c5ccccc5)cnn4c3)C[C@@H]12 1857702446 BNXKQEYTXAZMDU-ZCNNSNEGSA-N 411.531 1.555 0 50 HDAA CCON(C)C(=O)CN(CC(=O)NC)C(=O)c1cccc(-n2ccnc2SC)c1 1875303482 AGXSPNKAISBPIY-UHFFFAOYSA-N 419.507 1.192 0 50 HDAA O=C(C1CCN(c2nc3ccc(Cl)cc3o2)CC1)N1CCO[C@@H](c2nn[nH]n2)C1 2100539688 UENVBNGOODOEHW-OAHLLOKOSA-N 417.857 1.811 0 50 HDAA CCOC(=O)c1ccccc1S(=O)(=O)NC(=O)Nc1nc(Cl)cc(OC)n1 900590 NSWAMPCUPHPTTC-UHFFFAOYSA-N 414.827 1.826 0 50 HDAA biogenic,in-vitro CS(=O)(=O)N(CC(=O)N1CCN(c2ccccc2)CC1)Cc1ccc(F)cc1 6697359 QPSRZWZMOYLCFZ-UHFFFAOYSA-N 405.495 1.936 0 50 HDAA CCOC(=O)N1CCN(C(=O)C[C@@]2(c3ccccc3OC)CC(=O)N(C)C2=O)CC1 14951609 GPKXEKFEJYXCOH-OAQYLSRUSA-N 417.462 1.013 0 50 HDAA COCC(=O)N1CCC(Oc2ccc(C(=O)N(C)Cc3cnn(C)c3)cc2)CC1 14972766 KZKVKIYMGWAZRH-UHFFFAOYSA-N 400.479 1.709 0 50 HDAA COc1ccccc1/C=C/CN1CCNC(=O)[C@@H]1CC(=O)NCCOc1cccnc1 15071353 CHISBKBERBTLSD-CYXJOQHWSA-N 424.501 1.489 0 50 HDAA CC(=O)N[C@H](CC(=O)N1CCC[C@@H]1c1nc(C(N)=O)no1)c1ccc(Cl)cc1 170614428 KBEPNBYCFCRVIB-ZIAGYGMSSA-N 405.842 1.753 0 50 HDAA Cn1cnc2cc(C(=O)N[C@@H]3C4CN5CCN(C4)CC3(c3ccccc3)C5)ccc21 670470032 HLNAMISISNMZRQ-NBTXJNEHSA-N 401.514 1.871 0 50 HDAA COc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(OC)cc3)C2)cc1 824684265 MUFRYNWAKOOHLI-UHFFFAOYSA-N 412.489 1.357 0 50 HDAA Cn1c(=O)oc2ccc(S(=O)(=O)N(Cc3ccccn3)C[C@@H]3CCCO3)cc21 952988187 MSRIUXJFAVZBGI-HNNXBMFYSA-N 403.460 1.896 0 50 HDAA Cc1ccc(C(=O)N2CCCN(C(=O)[C@@H]3CCOC3)CC2)cc1N1CCNC1=O 1529161177 ASJIQAYFRNVVBN-QGZVFWFLSA-N 400.479 1.236 0 50 HDAA O=C(c1ccccc1-c1nn[nH]n1)N1CC[C@@]23O[C@H](c4ccccc4)CN2C(=O)C[C@@H]13 1857718276 RKCZOXABEFCMPU-SVMVAKDDSA-N 416.441 1.781 0 50 HDAA Cn1cccc(C(=O)N2CCO[C@@H](CN3CCC(O)CC3)[C@@H]2c2ccccc2)c1=O 1857719648 QMLHPMUKDRWIQB-SFTDATJTSA-N 411.502 1.424 0 50 HDAA Cc1c(S(=O)(=O)N2CC[C@@]34OC[C@@H](c5ccccc5)N3C(=O)C[C@@H]24)cnn1C 1857741018 YFIQTFUNSMXGGE-WDYCEAGBSA-N 402.476 1.192 0 50 HDAA CN1CCN(c2cc(N[C@@H]3CCC(=O)NC3=O)nc(-c3ccc(Cl)cc3)n2)CC1 1857797709 BOYPNPXYJQTSFH-OAHLLOKOSA-N 414.897 1.766 0 50 HDAA CC[C@H](C(=O)NCc1ccccc1OCc1cn([C@@H](C)C(=O)O)nn1)n1ccnc1 1875357051 ZDNDNGOISZRLCI-WMLDXEAASA-N 412.450 1.967 0 50 HDAA Cc1nn(C)c(C)c1S(=O)(=O)N1CCC[C@]2(CCc3cnc(N(C)C)nc32)C1 2356154449 WJXXTZLBUYWQNX-IBGZPJMESA-N 404.540 1.562 0 50 HDAA CC(=O)N1CCC(C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)CC1 6699520 RCXWENMTCGLWLA-UHFFFAOYSA-N 419.956 1.493 0 50 HDAA Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)cc1 8448607 UMXPCAISJQERMQ-UHFFFAOYSA-N 416.471 1.968 0 50 HDAA COc1cc(CN2CCN(C=O)CC2)ccc1OC[C@@H](O)CN(C)C1CCCCC1 19221049 PTVCAINUNJTKRT-NRFANRHFSA-N 419.566 1.973 0 50 HDAA COC[C@@H](C)n1c(CCCC(=O)N2Cc3nc(C)[nH]c(=O)c3C2)nc2cccnc21 77378314 GMWUQJGBRBJKOR-CYBMUJFWSA-N 410.478 1.896 0 50 HDAA CSCC[C@@H](NC(=O)[C@H](c1ccccc1)n1cnnn1)c1nnc2ccccn12 252488235 INZZMDRFKAQGLB-WBVHZDCISA-N 408.491 1.916 0 50 HDAA CN1CCN(c2cnn([C@H]3CCCN(Cc4cccc5nccn45)C3)c(=O)c2)CC1 328607360 VWDYKJMWDBIUPD-IBGZPJMESA-N 407.522 1.480 0 50 HDAA CNS(=O)(=O)Nc1ccc(NC(=O)c2ccc3c(O)nc(S)nc3c2)cc1 798143991 QZRXQRSWENUWPF-UHFFFAOYSA-N 405.461 1.753 0 50 HDAA COc1ccc(Cc2nn3c([C@@H]4CCCN(S(C)(=O)=O)C4)nnc3s2)cc1 951726871 MUYMVIIMCSIRGO-CYBMUJFWSA-N 407.521 1.924 0 50 HDAA Cc1c(C(=O)N2CCC(CNC(=O)[C@H]3CCCO3)CC2)sc2[nH]cnc(=O)c12 952970024 JINDDCBWKBXPBZ-CYBMUJFWSA-N 404.492 1.440 0 50 HDAA COc1ccc2cc1OCCn1cc(nn1)CCCC(=O)N(C)CCN(C)C2=O 1704331020 JHMFQZYNEGMZLX-UHFFFAOYSA-N 401.467 1.232 0 50 HDAA CCc1nnc(N2C[C@@H](C(=O)N3CCCN(C(=O)C4CCC4)CC3)CC2=O)s1 1857719399 LREUCKYUYUHCGQ-AWEZNQCLSA-N 405.524 1.314 0 50 HDAA COc1nc2c(cc1CN1CC[C@@]34OCCCN3C(=O)C[C@@H]14)C(=O)N(C(C)C)C2 1857731094 KEOKFTVZNQGUSP-UTKZUKDTSA-N 400.479 1.378 0 50 HDAA NC(=O)CCN(Cc1ccccc1)C(=O)CN1CCC(c2nnc3cnccn23)CC1 2325717020 YVGHZPTWOLRVEG-UHFFFAOYSA-N 421.505 1.208 0 50 HDAA CCCC[C@H]1CN(C(=O)[C@@H]2CC[C@H](COC)C2)CCN1C(=O)[C@H](C)NC(=O)NC 2325872817 NWSPWVKTNGAWHW-FJIDUMEYSA-N 410.559 1.596 0 50 HDAA CC(=O)OC[C@@H]1O[C@@H](SC(C)(C)C)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 5495588 GPOWSWIZSCANEB-NNXHMXCWSA-N 420.480 1.601 0 50 HDAA COc1cccc(CN2CCNC(=O)[C@@H]2CC(=O)NCCCOC(C)C)c1OC 12430056 ZHEIQSIVKBMHLZ-KRWDZBQOSA-N 407.511 1.326 0 50 HDAA CCN(CC)S(=O)(=O)c1ccc(NC(=O)C2CCN(S(C)(=O)=O)CC2)cc1 14214912 GNFCVAKWYBQRNO-UHFFFAOYSA-N 417.553 1.327 0 50 HDAA CCN(CC(=O)N1CCN(C)CC1)S(=O)(=O)c1ccc(Br)cc1 20046331 CRVPPSDHEDSQME-UHFFFAOYSA-N 404.330 1.234 0 50 HDAA Cc1ccc(S(=O)(=O)N2CCN(c3cc(N4CCOCC4)ncn3)CC2)cc1C 38541696 JBQGFNCUSVKZOL-UHFFFAOYSA-N 417.535 1.441 0 50 HDAA Cc1ccc(F)cc1S(=O)(=O)N1CCN(c2cc(-n3cccn3)ncn2)CC1 67604799 HOYXVUSKYCTLJM-UHFFFAOYSA-N 402.455 1.621 0 50 HDAA COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)C[C@H](C)n1cccn1)CC2 95522627 IVNAHINXBQEESM-HNNXBMFYSA-N 400.483 1.106 0 50 HDAA Cc1cn2nnc(C(=O)N3CCC(C(=O)Nc4cccc(Cl)c4)CC3)c2c(=O)[nH]1 169768938 VIIGIOAEXLWKKX-UHFFFAOYSA-N 414.853 1.870 0 50 HDAA O=C(c1ccc(NCc2ccc(-n3cccn3)cc2)nc1)N1CCS(=O)(=O)CC1 170604899 XNKHQJMFHPNUAM-UHFFFAOYSA-N 411.487 1.750 0 50 HDAA COC(=O)CC1CCN(C(=O)C[C@H]2NC(=O)N(Cc3cccc(F)c3)C2=O)CC1 223214429 OMFHKVNCSOTWNC-MRXNPFEDSA-N 405.426 1.438 0 50 HDAA CCO[C@@H]1C[C@@H](NC(=O)c2ccc(OC)c(S(=O)(=O)N3CCCC3)c2)[C@H]1OC 252511042 DJPHJVXJPZJHIP-QGPMSJSTSA-N 412.508 1.402 0 50 HDAA CO[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@@H](O)[C@@H]1N1C(=O)c2ccccc2C1=O 255984888 LDLANDFJIIDMRD-JZROKVKCSA-N 411.410 1.498 0 50 HDAA in-vitro O=C(Cc1cccc(F)c1)NC[C@@H]1CCCN(C(=O)CCC2=NNC(=O)CC2)C1 827851000 GFELODBFBPZQAU-INIZCTEOSA-N 402.470 1.769 0 50 HDAA O=C(c1cc2ccccc2c(=O)s1)N1CCCN(S(=O)(=O)N2CCCC2)CC1 828147331 QFDRXLVRNOSSSL-UHFFFAOYSA-N 421.544 1.750 0 50 HDAA C[C@@]1(c2cccc(CNC(=O)[C@H]3CC(=O)N(c4ccccc4)C3)c2)NC(=O)NC1=O 1338241743 KLFKXCJFOOLSJO-NYHFZMIOSA-N 406.442 1.411 0 50 HDAA C=CC(=O)N1CCC(C(=O)N(C)[C@H]2CCN(S(C)(=O)=O)C2)(c2ccccc2)CC1 1468345825 VEBMIKLXOLDKMF-SFHVURJKSA-N 419.547 1.225 0 50 HDAA COc1ccc([C@@H]2[C@@H](CO)OCCN2C(=O)C2CCN(C(C)=O)CC2)cc1OC 1529189517 PXRUYJUXYZISNS-WOJBJXKFSA-N 406.479 1.223 0 50 HDAA CC(=O)N1CCCc2cc(S(=O)(=O)N[C@H]3COC[C@H]3Cc3ccncc3)ccc21 1704337802 FJYUYLQJYHUGRP-QUCCMNQESA-N 415.515 1.917 0 50 HDAA O=C(O)[C@]12CCOC[C@H]1CN(Cc1ccc(OCCCN3CCOCC3)cc1)C2 1772710432 VMSZKFRPSWXDSR-KNQAVFIVSA-N 404.507 1.711 0 50 HDAA Cc1cc(C(F)(F)F)n(-c2nc(C(=O)N3CCC([C@H](O)CO)CC3)cs2)n1 1772711378 YOLPORQCFMWWOQ-GFCCVEGCSA-N 404.414 1.861 0 50 HDAA CC(=O)N[C@H](CC1CCC1)C(=O)NC1CC(NC(=O)[C@@H](CC2CCC2)NC(C)=O)C1 2325744877 PTNWDYKXUYDGGX-NTFDOXNWSA-N 420.554 1.140 0 50 HDAA O=C(NC[C@@]12COCCN1C(=O)COC2)c1cc(-c2ccccc2C(F)(F)F)[nH]n1 2325827982 VSTWUIZYKONPRI-SFHVURJKSA-N 424.379 1.453 0 50 HDAA CCn1cc(S(=O)(=O)N2CCN(CC(=O)Nc3ccccc3C)CC2)c(C)n1 36006838 NKWNUEVGAMTOBV-UHFFFAOYSA-N 405.524 1.465 0 50 HDAA Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C(=O)O)CC2)cc1 138056090 FBEODZGDFTZKIJ-CWLKWCNXSA-N 406.504 1.575 0 50 HDAA O=C1[C@@H]2CC=CC[C@H]2C(=O)N1CC(=O)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1 247722752 AOQFPKIJRZNGLJ-GVDBMIGSSA-N 402.472 1.158 0 50 HDAA CCN1CCN(c2ccc(NC(=O)COc3ccc(S(N)(=O)=O)cc3)cc2)CC1 749720103 WLPPYERVJNKBLD-UHFFFAOYSA-N 418.519 1.493 0 50 HDAA CN1C(=O)[C@H]2COC[C@@H]1CN(Cc1ccccc1OCCCN1CCOCC1)C2 1875246241 CAWRUKGMVNNDIW-UXHICEINSA-N 403.523 1.077 0 50 HDAA Cc1cc(C(=O)N2CCC(NC(=O)Cc3ccccc3)CC2)c2c(O)nn(C)c2n1 1875254539 LJZSKFIKNPFCKI-UHFFFAOYSA-N 407.474 1.946 0 50 HDAA COc1ccc(F)cc1CNC(=O)C(=O)NCc1ccnc(OC2CCOCC2)c1 1875257353 URZBICGEDYWWAW-UHFFFAOYSA-N 417.437 1.720 0 50 HDAA O=C1Nc2c(c(=O)[nH]c(=O)n2-c2ccccc2)[C@@]1(Nc1ncccn1)C(F)(F)F 4196041 LCPVROGYWQRVQV-INIZCTEOSA-N 404.308 1.138 0 50 HDAA CCOC(=O)N1CCC(NC(=O)C[C@H]2C(=O)NCCN2CC2CCCCC2)CC1 12757461 CNJOOLQFRPDWDI-SFHVURJKSA-N 408.543 1.494 0 50 HDAA CN(Cc1ccncn1)C(=O)C[C@H]1C(=O)NCCN1Cc1ccccc1C(F)(F)F 15068380 IIDXIZIHILCUDB-KRWDZBQOSA-N 421.423 1.845 0 50 HDAA NS(=O)(=O)c1ccc(CCN[C@H]2CC(=O)N(c3cccc(Cl)c3)C2=O)cc1 18250403 FFUITZZYGCXRLQ-INIZCTEOSA-N 407.879 1.452 0 50 HDAA CN1CCN(C(=O)[C@H]2CC(=O)c3sc(NC(=O)c4cccs4)nc3C2)CC1 20601155 AWGDGMVGASURKD-LLVKDONJSA-N 404.517 1.976 0 50 HDAA CN1CCN(C(=O)C[C@@]2(c3ccccc3)CC(=O)N(Cc3ccncc3)C2=O)CC1 20998741 UUJYPIWQPYXRTQ-QHCPKHFHSA-N 406.486 1.443 0 50 HDAA CCn1cnnc1CN(C)C(=O)[C@H]1CCCN(C2CCN(C(=O)C3CC3)CC2)C1 71762936 AHZGIMWQLMFEIS-KRWDZBQOSA-N 402.543 1.369 0 50 HDAA CN1CCN([C@H]2CCN(C(=O)NCCc3ccccc3)C[C@H]2CCC(=O)O)CC1 95367203 MONLWITZCSRLDV-UXHICEINSA-N 402.539 1.741 0 50 HDAA CNC(=O)Cc1ccc(NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1 170594752 JKDXAAMDXORROX-INIZCTEOSA-N 418.494 1.429 0 50 HDAA CC(C)n1nccc1NC(=O)[C@H](C)OC(=O)CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O 242106301 WINUCLIZKWYHKQ-RRFJBIMHSA-N 404.467 1.900 0 50 HDAA COc1ccc([C@H]2Cn3nnc(C(=O)N4CCN(c5ccccn5)CC4)c3CO2)cc1 263619389 YMZBXIIRLBVLBE-LJQANCHMSA-N 420.473 1.916 0 50 HDAA Cn1nc2c(cc1=O)CN(C(=O)[C@H]1CCO[C@@H]1c1cnn(Cc3ccccc3)c1)CC2 328604707 KYSPBGDZKBMEST-SIKLNZKXSA-N 419.485 1.688 0 50 HDAA COc1cc(OC)cc(C(=O)N2CCC(C(=O)N[C@H]3CCn4ccnc4C3)CC2)c1 428344229 ATWKSRBAQOIQRV-KRWDZBQOSA-N 412.490 1.884 0 50 HDAA C[C@H]1CN(Cc2cc(=O)n3cc(Cl)ccc3n2)CCN1c1nccn2cnnc12 441039081 VIWUPDMOPPERHC-ZDUSSCGKSA-N 410.869 1.496 0 50 HDAA Cc1noc(C)c1C(=O)N1CCCN(c2ncc(F)c(N3CCOCC3)n2)CC1 1772804747 SRHCCOMNHXDSHC-UHFFFAOYSA-N 404.446 1.410 0 50 HDAA CCn1cc(/N=c2\scc(-c3cnn(C)n3)n2CCS(=O)(=O)CC2CC2)cn1 1875255782 HBUOYXPVMAWFHV-JZJYNLBNSA-N 421.552 1.619 0 50 HDAA Cc1ccc(CN(C)C(=O)C(=O)NC[C@H]2CS(=O)(=O)c3ccccc3O2)cc1 1875319031 XJPSQQZLXWZZII-INIZCTEOSA-N 402.472 1.305 0 50 HDAA CCN(Cc1nc(COC)no1)C(=O)[C@H]1OCC(=O)N(C)[C@@H]1c1ccccc1C 1940195064 BROWCANYJPOGPE-MOPGFXCFSA-N 402.451 1.471 0 50 HDAA Cc1cc(C)n2ncc(C(=O)N3CCN(C(=O)c4cn(CC5CC5)nn4)C[C@@H]3C)c2n1 2325828695 OMULICVGWALUOD-HNNXBMFYSA-N 422.493 1.334 0 50 HDAA CCCS(=O)(=O)c1ncc(CN(C)CCn2ccnc2C)n1C[C@H]1CCCO1 11935584 ALEQDBWXWSGWPK-GOSISDBHSA-N 409.556 1.883 0 50 HDAA CCOC(=O)C1(Cc2ccc(OC)cc2)CCN(C(=O)CN2CCOC2=O)CC1 12705028 KBHCFNQFEMDIER-UHFFFAOYSA-N 404.463 1.862 0 50 HDAA O=C1N(CCc2ccccc2)CCC[C@@]1(O)CN1CCCN(c2ncccn2)CC1 67804807 GWPTUYJGIZHFKC-HSZRJFAPSA-N 409.534 1.585 0 50 HDAA Cn1c(CCC(=O)NC[C@H]2CCCO2)nc2cc(S(=O)(=O)N3CCCC3)ccc21 77470057 ZACXEZSMJDLNKQ-OAHLLOKOSA-N 420.535 1.586 0 50 HDAA COc1cc(CN(C)Cc2ccccn2)ccc1OC[C@H](O)CN1CCOCC1 95505772 BYERGKDCSGROBV-HXUWFJFHSA-N 401.507 1.794 0 50 HDAA CN1CCC(N2CCN(Cc3cnn(-c4ccccc4F)c3)C[C@H]2CCO)CC1 104405284 FHWOMFKNLHCRNF-HXUWFJFHSA-N 401.530 1.974 0 50 HDAA COc1ccc(S(N)(=O)=O)cc1C(=O)N1[C@H]2CC[C@H]1[C@H](C(=O)OC(C)(C)C)C2 328592063 TTXDFPZDGRCUAQ-LNSITVRQSA-N 410.492 1.677 0 50 HDAA CCc1noc(C)c1CN1CCC[C@H](n2ncc(N3CCN(C)CC3)cc2=O)C1 328607385 WAPINHMZLYCRGS-KRWDZBQOSA-N 400.527 1.691 0 50 HDAA Cn1c(O)nc2ncc(-c3cccc(C(=O)N4CCO[C@@H](c5nn[nH]n5)C4)c3)cc21 777246302 FDXQTTIUNFIGSU-OAHLLOKOSA-N 406.406 1.068 0 50 HDAA CN(Cc1nccs1)C(=O)Cn1nnnc1[C@@H](c1ccccc1)N1CCOCC1 827887641 UCZHYEKHDOLGIJ-GOSISDBHSA-N 413.507 1.210 0 50 HDAA Cn1c(=O)n(C)c2cc(S(=O)(=O)N3CCC[C@@H](OCc4ccccn4)C3)ccc21 952981990 ONQZDQLXLXYPSP-MRXNPFEDSA-N 416.503 1.642 0 50 HDAA CN(C)S(=O)(=O)N1CC[C@H]2[C@@H]1CC(=O)N2CCc1nccc(-c2ccccc2)n1 1857694182 DGONHCQSJQQHBT-ROUUACIJSA-N 415.519 1.168 0 50 HDAA Cn1c(=O)n(C)c2cc(S(=O)(=O)N3CC[C@@H](CCO)c4ccccc43)ccc21 2325827184 YLYWSMPIZDCCLU-AWEZNQCLSA-N 401.488 1.942 0 50 HDAA CCN1C[C@H](C(=O)N2CCCC[C@H](NC(=O)c3ccc(CO)cc3)C2)CCC1=O 2325864405 NNKIVJMTSGZPEY-MOPGFXCFSA-N 401.507 1.548 0 50 HDAA COc1cc2c(cc1OC)C1(CCN(CCCS(=O)(=O)N(C)C)CC1)OCC2 2356154833 MBTIZHNLHPMGNQ-UHFFFAOYSA-N 412.552 1.849 0 50 HDAA COc1cc(/C=c2\sc3nc(=O)c(C)nn3c2=O)ccc1OCc1ccccc1 632354 PSIWWQJHJURKHS-WQRHYEAKSA-N 407.451 1.955 0 50 HDAA CCOC(=O)C1=C(N)N2C(=O)[C@@H](C)SC2=C(C(=O)OC)[C@@H]1c1cccc(OC)c1 1076534 OESLYPLYPBHMLP-ZWNOBZJWSA-N 418.471 1.874 0 50 HDAA COc1ccc(S(=O)(=O)N(CC(=O)N2CCOCC2)c2ccc(F)cc2)cc1 1110761 FJQKSOBLEAVAEQ-UHFFFAOYSA-N 408.451 1.888 0 50 HDAA CC1CCN(C(=O)CCc2nnc3ccc(N4CCC5(CC4)OCCO5)nn23)CC1 9744974 HPVQQBIHZJFCCI-UHFFFAOYSA-N 414.510 1.659 0 50 HDAA COc1ccc(CNCCNC(C)=O)cc1OC[C@@H](O)CN(C)Cc1ccccc1 12440266 APUWGMSPAQZAMR-NRFANRHFSA-N 415.534 1.793 0 50 HDAA CCc1ccc(NC(=O)N[C@H]2C[C@H]3C(=O)N[C@H](Cc4ccc(O)cc4)C(=O)N3C2)cc1 14740919 HGRSNOBHUPNYKB-SXLOBPIMSA-N 422.485 1.787 0 50 HDAA O=C(Cn1cccn1)N1CCC[C@H](N2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 19741530 RJERVSZLJWQKNM-IBGZPJMESA-N 411.506 1.421 0 50 HDAA O=C(c1cnccn1)N1CCC[C@H](N2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 19770202 UIFBPPBFKHZWSQ-SFHVURJKSA-N 409.490 1.628 0 50 HDAA CCOC(=O)Cc1csc(NC(=O)CSc2nnnn2-c2ccc(O)cc2)n1 19898397 XDAZGUNNOHKHKZ-UHFFFAOYSA-N 420.476 1.661 0 50 HDAA C[C@H](CN1CCN(C2=NS(=O)(=O)c3ccccc32)CC1)OC(=O)c1ccccc1 19904740 PFJNDHCIEAXRLI-MRXNPFEDSA-N 413.499 1.999 0 50 HDAA Cc1cn2cc(CNC(=O)C[C@@H]3C(=O)NCCN3Cc3ccccc3F)nc2s1 20907185 VSXDLZPMBPXHQS-QGZVFWFLSA-N 415.494 1.850 0 50 HDAA CCS(=O)(=O)N1CCC[C@H](C(=O)NCc2ccc(CN3CCCC3=O)cc2)C1 65654781 WHAYRWTXNBCWQG-SFHVURJKSA-N 407.536 1.487 0 50 HDAA O=C(O)c1cc(-n2ccnc2-c2ccccn2)cc(S(=O)(=O)N2CCOCC2)c1 71771066 VKVSNCZBIFNYMV-UHFFFAOYSA-N 414.443 1.653 0 50 HDAA COCC(=O)N1CCC(Oc2ccc(C(=O)N(C)Cc3noc(C)n3)cc2)CC1 95497546 UUUBZWBENICWLQ-UHFFFAOYSA-N 402.451 1.666 0 50 HDAA CCOC(=O)c1c[nH]c(=O)c([C@H](CC(=O)O)c2cc(OC)c3c(c2)OCCO3)c1O 217787652 NWMOYLGYLSQATK-LLVKDONJSA-N 419.386 1.644 0 50 HDAA biogenic Cc1cc(C)cc([C@H](O)CNC(=O)CN2CCN(C(=O)OC(C)(C)C)CC2=O)c1 225771613 SLNSWXHYOTWQSV-QGZVFWFLSA-N 405.495 1.532 0 50 HDAA Cc1c(C(N)=O)sc(NC(=O)CN2CCN3CCC[C@H]3C2)c1C(=O)OC(C)C 239439134 ZMGDKWZHOSZCMJ-ZDUSSCGKSA-N 408.524 1.439 0 50 HDAA Cc1ncnc(N2CCN(C(=O)C3CCN(C(=O)[C@@H]4CCCO4)CC3)CC2)c1C 252488428 IRQXTLURMPPEHF-SFHVURJKSA-N 401.511 1.160 0 50 HDAA CC[C@H](C)[C@H](CO)NC(=O)C[C@@H]1N=C(O)N(Cc2ccc(OC)c(OC)c2)C1=O 252540598 PQARNEBKHVQVBW-QEJZJMRPSA-N 407.467 1.242 0 50 HDAA COc1cccc2c1OC[C@H](NS(=O)(=O)c1ccc3c(c1)n(C)c(=O)n3C)C2 590611040 SJCQBJNIRTXZSV-CYBMUJFWSA-N 403.460 1.168 0 50 HDAA CN1C[C@@H](NC2CCN(C(=O)c3ccncc3)CC2)c2sccc2S1(=O)=O 1506426840 JGNUKMFFNHOBOR-OAHLLOKOSA-N 406.533 1.713 0 50 HDAA O=C(CO)N1CCC2(CCc3c2nc(-c2ccccc2)[nH]c3=NC[C@H]2CCOC2)CC1 1857688623 UBEAYYWJNUVANY-QGZVFWFLSA-N 422.529 1.813 0 50 HDAA O=C(c1cn2c(n1)CCN(C(=O)c1ccncc1F)CC2)N1CCC(F)(F)CC1 1875240947 KNZCQBZYFIWKMK-UHFFFAOYSA-N 407.396 1.987 0 50 HDAA O=C(N[C@@H]1CN2CCCC[C@@]2(C(=O)NCC2CC2)C1)c1cc2c(nc1O)CCCC2 1875247554 JXGZUVUXFYYOGA-SBUREZEXSA-N 412.534 1.919 0 50 HDAA O=C1CC[C@@H](N2Cc3cc(C(=O)NCCc4cccc(O)c4)ccc3C2=O)C(=O)N1 2325896340 WQXYDMNEEBCXLJ-GOSISDBHSA-N 407.426 1.126 0 50 HDAA Cc1ccc(CN2CCNC(=O)[C@H]2CC(=O)N2CCC(OC(F)(F)F)CC2)o1 2356136965 CWXBCTFUWOQUSR-OAHLLOKOSA-N 403.401 1.806 0 50 HDAA COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(C(N)=O)cc2)cc1OC 2841995 PZQUPDMGBIZJHA-UHFFFAOYSA-N 407.448 1.062 0 50 HDAA O=C(c1cc2ncc(Br)cn2n1)N1CCN(C(=O)c2ccco2)CC1 2884865 JYMATOLOUZWCRG-UHFFFAOYSA-N 404.224 1.683 0 50 HDAA CN1C(=O)COc2ccc(S(=O)(=O)N3CCN(c4ccccc4F)CC3)cc21 8783054 HDCWEQTZASMNOR-UHFFFAOYSA-N 405.451 1.692 0 50 HDAA COc1cc(=O)n2c(c1C(=O)NCCCn1cccn1)CCN(CCC(C)C)CC2 11787184 CRYFRBMKFFOGEU-UHFFFAOYSA-N 415.538 1.778 0 50 HDAA Cc1cnc(SCCN2CCOCC2)nc1[C@@H]1CCCN(C(=O)[C@@H]2CCOC2)C1 14982745 VXPHWKJGZNHGBG-QZTJIDSGSA-N 420.579 1.952 0 50 HDAA O=C(C[C@H]1C(=O)NCCN1Cc1ccc(Cl)c(F)c1)NCCc1cccnc1 55198285 LMBPKMISDMTEMY-SFHVURJKSA-N 404.873 1.924 0 50 HDAA COc1cccc(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N(C)Cc3nc(C)c[nH]3)[C@@H]4C2=O)c1 77488620 IZZFJOKEVJZAFH-CLWLKPMESA-N 422.485 1.667 0 50 HDAA COC[C@H](O)CN(C)c1cc(N(C)C[C@@H](O)COC)nc(-c2ccc(F)cc2)n1 221993182 QLWIQJWKSMQAJU-IAGOWNOFSA-N 408.474 1.170 0 50 HDAA CC1=C(C(=O)Nc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)Cn2nnnc2N1C 225503685 LTULKOPBQNMCBT-TXEJJXNPSA-N 401.446 1.788 0 50 HDAA Nc1nc(=O)[nH]cc1N1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(C(F)(F)F)cc2)CC1 225578671 PBBDIKNBIJISNG-UONOGXRCSA-N 407.396 1.823 0 50 HDAA CCN1CCN(C(=O)CNC(=O)c2c[nH]c3ccc(Br)cc3c2=O)CC1 390832695 DRJJVVRKHXSHKS-UHFFFAOYSA-N 421.295 1.185 0 50 HDAA O=C([C@@H]1CCCN1C(=O)c1ccccc1OC(F)F)N1CCN(C2CC2)C(=O)C1 409962031 JPIJTKIXDFDDBO-HNNXBMFYSA-N 407.417 1.726 0 50 HDAA CN(CC(=O)N1CCOCC1)C(=O)c1cc(-c2ccc(Br)cc2)[nH]n1 497564254 LZONGDQMCFHEFS-UHFFFAOYSA-N 407.268 1.770 0 50 HDAA Cc1nn(C)c(C)c1NC(=O)C(=O)N1CCC[C@@H](c2nnc(S)n2C2CC2)C1 784761394 TXXOJIJUNGAKRO-GFCCVEGCSA-N 403.512 1.597 0 50 HDAA CC(C)[C@@H](C(=O)N1CCCN(c2ncnc3[nH]cnc23)CC1)N1C[C@@H](C)O[C@H](C)C1 1875263924 RELYDSFVHSWIJK-NUJGCVRESA-N 415.542 1.525 0 50 HDAA CCN1C[C@@H](C(=O)N2CCCC[C@@H](NC(=O)c3cc(N)ccc3F)C2)CCC1=O 2325863966 BGXQBSMKMXIZJA-GOEBONIOSA-N 404.486 1.777 0 50 HDAA CNC(=O)c1cc(NC(=O)C(=O)N[C@H]2c3ccccc3C[C@H]2C)cc(C(=O)NC)c1 2325872990 UQTGUOFGALVPRD-KZULUSFZSA-N 408.458 1.394 0 50 HDAA C=CC(=O)N1CCC[C@H](C(=O)N2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)C1 2325889415 ONPJWERLCHKMCP-SFHVURJKSA-N 419.547 1.561 0 50 HDAA C[C@H](NC(=O)C1(N(C)CCc2ccccc2)Cc2ccccc2C1)c1n[nH]c(=O)[nH]1 11879711 IYTQWXVYMKZRPI-INIZCTEOSA-N 405.502 1.987 0 50 HDAA COC(=O)[C@@H]1CCCCN1C(=O)c1ccccc1OC1CCN(S(C)(=O)=O)CC1 12703460 ZUGFPHKGJOCHII-KRWDZBQOSA-N 424.519 1.657 0 50 HDAA CCOC(=O)[C@@H]1[C@H](c2ccc(O)c(OCC)c2)NC(=S)N[C@@]1(O)C(F)(F)F 13482810 BXEOZHQTYFFOSS-HUBLWGQQSA-N 408.398 1.740 0 50 HDAA CCc1ccc(NC(=O)N[C@H]2C[C@H]3C(=O)N[C@@H](Cc4ccc(O)cc4)C(=O)N3C2)cc1 14751125 HGRSNOBHUPNYKB-IHPCNDPISA-N 422.485 1.787 0 50 HDAA COCC(=O)NC[C@H](C)Oc1ccc(CN2CCN(Cc3cccnc3)CC2)cc1 23363200 VQMCQDVBSKIZIO-IBGZPJMESA-N 412.534 1.929 0 50 HDAA O=C(Cn1nc(N2CCOCC2)ccc1=O)N1CCN(c2cccc(Cl)c2)CC1 61717835 UNVXFKKHCUXLNM-UHFFFAOYSA-N 417.897 1.082 0 50 HDAA CC[C@@H](NC(=O)C1CCN(S(=O)(=O)N(C)C)CC1)c1ccc(OC)c(OC)c1 67630124 WHZYXZRHAKFBJD-MRXNPFEDSA-N 413.540 1.790 0 50 HDAA Cc1ccc(CCN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N(C)Cc3ncc[nH]3)[C@H]4C2=O)cc1 77408151 YLACGKGPCXLYEI-USKVXJDGSA-N 406.486 1.701 0 50 HDAA CC(C)C[C@H](C(=O)NCCc1nnc2ccccn12)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O 248268982 PJFJQQDCVTUZFX-BRWVUGGUSA-N 409.490 1.754 0 50 HDAA NS(=O)(=O)c1cccc(N2C[C@H](C(=O)N3CCc4ccc(Cl)cc43)CC2=O)c1 469039123 PCTLJBLFJKYVGF-CYBMUJFWSA-N 419.890 1.930 0 50 HDAA Nc1nc(N)c2ncn(C3CN(C(=O)c4c(F)ccc(Br)c4F)C3)c2n1 1303839041 DVKCQBGQVXPIIY-UHFFFAOYSA-N 424.209 1.729 0 50 HDAA O=C(NC[C@@H]1CN(CC2CCN(CC3CC3)CC2)C(=O)CO1)c1cncc(F)c1 1857679463 VREZIUZIGGAUNX-LJQANCHMSA-N 404.486 1.300 0 50 HDAA O=C(c1ccno1)N1CC[C@@H]2C[C@@H](N3CCOCC3)CC[C@@]2(C(=O)NC2CC2)C1 1857701939 ZSPKIXFEMGHYOE-LDBYXDLTSA-N 402.495 1.286 0 50 HDAA Cn1cc(-c2ccccc2)c(=NC(=O)NCCS(=O)(=O)NC2CCCCC2)[nH]1 2325739101 CJLOCAKCHAMGLL-UHFFFAOYSA-N 405.524 1.883 0 50 HDAA COc1ccn2ncc(C(=O)N3CCN(C(=O)[C@@H]4CC(C)(C)CO4)C[C@@H]3C)c2c1 2325829486 KYUBCGPUXNJNGM-KSSFIOAISA-N 400.479 1.831 0 50 HDAA CCN1C[C@H](C(=O)N2CCCC[C@H](NC(=O)c3cccc(C)c3N)C2)CCC1=O 2325864255 JZYZOTMXGHPZLE-SJORKVTESA-N 400.523 1.947 0 50 HDAA O=C1CC[C@H](N2Cc3cc(C(=O)NC4(c5ncon5)CCCC4)ccc3C2=O)C(=O)N1 2325896346 WRJPLNXXPJLGNI-HNNXBMFYSA-N 423.429 1.030 0 50 HDAA COC(=O)CN(C)C(=O)C[C@]1(c2ccccc2)CC(=O)N(CCc2ccccn2)C1=O 11785360 XKZFKPYOQJSQOQ-HSZRJFAPSA-N 423.469 1.343 0 50 HDAA COCC(=O)N1CCC(Oc2ccc(C(=O)N3CCC[C@H]3C(=O)OC)cc2)CC1 12074561 YSBZTYYIKDRWBP-SFHVURJKSA-N 404.463 1.480 0 50 HDAA CC(C)CN1C[C@@H](COc2cccc(F)c2)C[C@@H](C(=O)NCCN2CCNC2=O)C1 14541001 CLLFAWGLWXOASL-ZWKOTPCHSA-N 420.529 1.940 0 50 HDAA COCCN1C(=O)N(C2Cc3ccccc3C2)C(=O)C12CCN([C@@H](C)COC)CC2 14751857 HNQLIGKXWOHCHE-KRWDZBQOSA-N 415.534 1.934 0 50 HDAA O=C(c1cnn2cccnc12)N1CCC(N2CCC[C@@H](C(=O)N3CCCC3)C2)CC1 71759131 OOUKNFWJUHXDTM-QGZVFWFLSA-N 410.522 1.668 0 50 HDAA CCOC(=O)[C@H]1CC[C@H](C(=O)OCC)N1C(=O)CCn1c(=O)n(C)c2ccccc21 252484562 FZIBAZZDAUIYAD-IAGOWNOFSA-N 417.462 1.216 0 50 HDAA COc1ccc(CN2C(=O)[C@@H](CCC(=O)N[C@H](CO)c3ccccc3)N=C2O)cc1 252569058 VVXQADZSYSIAAW-RTBURBONSA-N 411.458 1.950 0 50 HDAA O=C([C@H]1CCCN1C(=O)c1ccccc1OC(F)F)N1CCN(C2CC2)C(=O)C1 409962033 JPIJTKIXDFDDBO-OAHLLOKOSA-N 407.417 1.726 0 50 HDAA Cc1oc(-c2cc(C(F)(F)F)n[nH]2)cc1S(=O)(=O)N1CCN(C)C(=O)[C@@H]1C 952966566 XDXYYYKCDWLVQU-QMMMGPOBSA-N 406.386 1.848 0 50 HDAA CS(=O)(=O)c1ccc(S(=O)(=O)N(Cc2ccccn2)C[C@@H]2CCCO2)cc1 952973596 ONYVMRGHPFIGOH-INIZCTEOSA-N 410.517 1.855 0 50 HDAA COCCc1noc([C@H]2CCCCN2C(=O)Cc2ccc(-n3nnnc3C)cc2)n1 952986597 ZIWSSIWMTYMTJT-QGZVFWFLSA-N 411.466 1.839 0 50 HDAA COc1ccc(C(=O)O)cc1S(=O)(=O)N1CCCN(c2ccncc2C)CC1 1506420202 YEHPRYKDPMIKQQ-UHFFFAOYSA-N 405.476 1.998 0 50 HDAA Cc1ccccc1-c1cccc(C(=O)N2C[C@H](O)[C@H](CS(=O)(=O)N(C)C)C2)c1 1529151894 GVEFSMVZRNTSRB-ICSRJNTNSA-N 402.516 1.986 0 50 HDAA COCCn1ccnc1CN1C[C@H]2CN(c3cnccn3)C[C@@]2(CCC(=O)O)C1 1857690897 UDFCCBMHVNRJQT-OXJNMPFZSA-N 400.483 1.123 0 50 HDAA O=C(N[C@H](CO)c1cc(F)c(F)c(F)c1)[C@@H](O)[C@H](O)c1nc2ccccc2s1 1875258154 GLJIKKUAIPCYPQ-KCXAZCMYSA-N 412.389 1.958 0 50 HDAA Cc1nc2nc(=N)[nH]n2c(C)c1CC(=O)N1CCOC[C@@H]1Cc1c[nH]c2ccccc12 1875264925 NUAJIVYOQFKHAG-INIZCTEOSA-N 419.489 1.648 0 50 HDAA O=C(NC[C@@H]1CC2(CCC2)CN1C(=O)c1cnn2ccncc12)c1cnnc(O)c1 1875358618 CGQQPLIANIWCBV-AWEZNQCLSA-N 407.434 1.040 0 50 HDAA Cc1csc(S(=O)(=O)Nc2cccc3c2CN([C@H]2CCC(=O)NC2=O)C3=O)c1 2325895953 NGKDFKHPCKLICV-AWEZNQCLSA-N 419.484 1.618 0 50 HDAA COc1ccc(CCNC(=O)CN(c2ccccc2)S(=O)(=O)N(C)C)cc1OC 4820651 JSNBHMIXOTVXRC-UHFFFAOYSA-N 421.519 1.676 0 50 HDAA biogenic CN1CCN(c2nc(-c3cccs3)ccc2C(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 14994225 YJQZAIDJZLWPPQ-CQSZACIVSA-N 420.560 1.479 0 50 HDAA COc1ccc(CCN2C(=O)O[C@@H]3CN(S(=O)(=O)N4CCCCC4)C[C@@H]32)cc1 15065892 MEJOOWSCOFUNFW-ZWKOTPCHSA-N 409.508 1.473 0 50 HDAA CN(Cc1cnccn1)Cc1cnc(S(=O)(=O)CC2CC2)n1C[C@H]1CCCO1 15077285 USKAFTVBFOQMCV-GOSISDBHSA-N 405.524 1.668 0 50 HDAA C#CCN(CC=C)Cc1ccc(OC)c(OC[C@H](O)CN2CCCN(C)CC2)c1 23145992 SGLGHNMUTVRCKH-OAQYLSRUSA-N 401.551 1.694 0 50 HDAA CCNc1cc(N2CCN(S(=O)(=O)c3cc(OC)ccc3OC)CC2)nc(C)n1 65364849 OVEYWVRLKLBERR-UHFFFAOYSA-N 421.523 1.745 0 50 HDAA Cc1ccccc1-c1noc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)n1 67601728 HEVGESAKZNQRSP-CQSZACIVSA-N 407.496 1.180 0 50 HDAA CCOC(=O)C[C@@H](C)NC(=O)CCNS(=O)(=O)c1ccc(Br)cc1 170665858 PVDXDEUMMFXRMI-LLVKDONJSA-N 421.313 1.575 0 50 HDAA Cc1ccc(C)n1CCN1CCN(C(=O)C[C@H]2NC(=O)c3ccccc3NC2=O)CC1 253413687 VKRXGQMZQCAZLZ-HXUWFJFHSA-N 423.517 1.390 0 50 HDAA biogenic O=C1CO[C@@H](COc2ccc(F)cc2)CN1C1CCN(CCn2ccnc2)CC1 299792811 GMEHJZOVVRKMQP-HXUWFJFHSA-N 402.470 1.793 0 50 HDAA O=c1cc(N2CCC2)cnn1[C@H]1CCCN(S(=O)(=O)c2cnn(CC3CC3)c2)C1 328604676 KVEBNYOFDQQQRC-INIZCTEOSA-N 418.523 1.086 0 50 HDAA Cc1ccc(OCC(=O)NC[C@@H]2CCCN(S(=O)(=O)c3cccnc3)C2)cc1 952872755 SSPJEYCCWXZBBQ-KRWDZBQOSA-N 403.504 1.986 0 50 HDAA COc1nc2c(cc1CN1CC(=O)N[C@@H](Cc3ccccc3)C1)C(=O)N(C(C)C)C2 1772709620 OXQQMDCKYKQRBG-SFHVURJKSA-N 408.502 1.998 0 50 HDAA Cc1noc(C)c1CC(=O)N1C[C@@H]2CN(Cc3cc[nH]n3)C[C@@]2(CCC(=O)O)C1 1772808769 AUGZGTPACMFAFH-YWZLYKJASA-N 401.467 1.382 0 50 HDAA CN(C)c1nc2c(c(N3C[C@@H]4CN(Cc5ccns5)C[C@]4(CO)C3)n1)CCCC2 1772809829 FMEOMOSNDALFOH-YCRPNKLZSA-N 414.579 1.809 0 50 HDAA NC1(C(=O)N2CCC(N3C[C@@H](COc4ccc(F)cc4)OCC3=O)CC2)CCCC1 1857671354 GOZOCMFJLWLGFW-IBGZPJMESA-N 419.497 1.694 0 50 HDAA CCCNC(=O)[C@H]1CC[C@@H](OC)[C@H](NC(=O)c2ccc(Cn3cnnn3)cc2)C1 1875243312 ARIXZXXBNFYTGX-RCCFBDPRSA-N 400.483 1.161 0 50 HDAA O=C(CCc1cnccn1)N1C[C@@H](O)[C@]2(C1)[C@H](c1ccccc1)[C@H]2CN1CCOCC1 2100547057 ATKZHKQSYMIUEC-LUGTWXOSSA-N 422.529 1.345 0 50 HDAA O=C1CC[C@H](N2Cc3ccc(CNC(=O)OC[C@@H]4C[C@H]5CC[C@H]54)cc3C2=O)C(=O)N1 2325900717 GZZAOCOZOITDFN-VUNQQRPYSA-N 411.458 1.720 0 50 HDAA COc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)cc1 899557 OQMLJHDNYNFDQZ-UHFFFAOYSA-N 410.517 1.532 0 50 HDAA CCOC(=O)c1c(-c2ccccc2)nnn1-c1nc(OC)nc(N2CCOCC2)n1 1072750 IRJOBXRYLBNAKM-UHFFFAOYSA-N 411.422 1.141 0 50 HDAA O=C(C[C@@H]1SC(=O)NC1=O)Nc1ccccc1NC(=O)C[C@@H]1SC(=O)NC1=O 1902850 AMUIADUYFTXQBJ-UWVGGRQHSA-N 422.444 1.047 0 50 HDAA Cn1c(=O)c(=O)n(C)c2cc(S(=O)(=O)NCc3csc4c3CCCC4)ccc21 4788396 KJDLAYQXHMGXFS-UHFFFAOYSA-N 419.528 1.656 0 50 HDAA COc1cc(=O)n2c(c1C(=O)NCCCn1ccnc1)CCN(CCC(C)C)CC2 11909021 ZBYOYXSSQGYPMC-UHFFFAOYSA-N 415.538 1.778 0 50 HDAA CC(C)C[C@H]1NC(=O)[C@H]2CN(S(=O)(=O)c3cccc4ccccc34)CCN2C1=O 14542229 RVUOQOSEINHURR-QZTJIDSGSA-N 415.515 1.586 0 50 HDAA COC(=O)[C@@H]1CCCN1C(=O)[C@H]1CC(=O)c2sc(NC(=O)c3ccco3)nc2C1 15002014 WBIDGRGYJQXZDH-PWSUYJOCSA-N 417.443 1.898 0 50 HDAA CCOC(=O)CCNC(=O)C[C@H]1C(=O)NCCN1Cc1ccccc1C(F)(F)F 55052609 RDMZOFHUJCTOKL-HNNXBMFYSA-N 415.412 1.465 0 50 HDAA COc1ccc(NC(=O)N2CCN(c3ccnc(N4CCOCC4)n3)CC2)c(C)c1 72442452 VUQLICRTCWLWLN-UHFFFAOYSA-N 412.494 1.984 0 50 HDAA CCN1CCN(C(=O)[C@@H]2[C@@H]3C=C[C@@]4(CN(C5CCCCCC5)C(=O)[C@@H]24)O3)CC1=O 77505040 PEORKYMLNHPCAO-VGYLUTEMSA-N 401.507 1.182 0 50 HDAA COCC(=O)N1CCc2[nH]cnc2C12CCN(Cc1cc(O)ccc1OC)CC2 95500850 RSONYTUUYQSLCR-UHFFFAOYSA-N 400.479 1.646 0 50 HDAA CC(=O)OC[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)c1cnc2ccccc2n1 101360522 CZCMCRIAFRGXRB-SLFFLAALSA-N 418.402 1.661 0 50 HDAA COC(=O)C[C@@H](c1cc(OC)c(O)c(OC)c1)c1c(O)n2ccccc2nc1=O 205957553 AFSAQQUSCGCEHN-LBPRGKRZSA-N 400.387 1.818 0 50 HDAA O=C(O)CN1C(=O)[C@H]2[C@@H]3C[C@@H]([C@@H]4Sc5[nH]c(=O)sc5C5(CCCC5)[C@H]34)[C@H]2C1=O 238899889 HFGNCTZBQJNROV-GPLPTQPASA-N 420.512 1.674 0 50 HDAA CN(C)CCN(C)CCCNC(=O)Nc1ccc(CC(=O)N2CCSCC2)cc1 241588506 PDSQZTCMVQUXRE-UHFFFAOYSA-N 421.611 1.810 0 50 HDAA CC(=O)c1cc(CN2CC[C@]3(O)CCN(S(=O)(=O)N(C)C)C[C@@H]3C2)cs1 247919453 CAEAKDGTHZRXSF-RDJZCZTQSA-N 401.554 1.016 0 50 HDAA COc1ccc(CCN2C(=O)[C@@H](CC(=O)NCc3ccco3)N=C2O)cc1OC 252548558 QCDUBSNQVHFLLR-OAHLLOKOSA-N 401.419 1.671 0 50 HDAA CN(C[C@H]1COc2ccccc2O1)C(=O)c1cc(Cl)sc1S(N)(=O)=O 253405189 HZVLYSRIDAMIPY-VIFPVBQESA-N 402.881 1.961 0 50 HDAA COc1ccccc1-c1noc(CCC(=O)NCc2nc(-c3cnccn3)n[nH]2)n1 426423307 FJTMTPQPKKYRNO-UHFFFAOYSA-N 406.406 1.569 0 50 HDAA CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)C[C@@H]1CN(Cc2ccccc2)CCO1 468503078 WPJFNCQFFSUVBO-RBUKOAKNSA-N 409.552 1.208 0 50 HDAA CC(=O)c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)OCc2ccccc2)nc1C 765353895 SMGPUVXZGKQKID-QUCCMNQESA-N 411.458 1.981 0 50 HDAA COc1cc(CN2CCC(CNC(=O)CN3CCCN(C)CC3)CC2)ccc1C 824589320 OOOBWQZUCILQDD-UHFFFAOYSA-N 402.583 1.969 0 50 HDAA C[C@@H](O)CNC(=O)C[C@H](c1ccc2c(c1)OCO2)c1c(O)n2ccccc2nc1=O 1857526303 YRWJGYWQXNQDOO-TZMCWYRMSA-N 411.414 1.148 0 50 HDAA O=C1CO[C@H](CN=c2[nH]nc(C3CCC3)o2)CN1CC1CCN(CC2CC2)CC1 1857670559 UXIRQPVKWNEQCX-GOSISDBHSA-N 403.527 1.520 0 50 HDAA NCc1ccnc(CNC(=O)[C@H]2CC(=O)N(c3nnc(Cc4ccccc4)s3)C2)c1 1857733922 FXCXIHNBCMBRBP-INIZCTEOSA-N 422.514 1.652 0 50 HDAA Cc1nc(O)nc(C)c1CCC(=O)N1CCC[C@@](O)(CN(C)CC2CCOCC2)C1 1857738732 WATLKTWDCYTCBY-JOCHJYFZSA-N 420.554 1.444 0 50 HDAA COC(=O)c1nc(-c2ccccc2)oc1S(=O)(=O)N1CC[C@@H](c2nc(C)no2)C1 1857799233 SDVQVLBSGNZZKI-CYBMUJFWSA-N 418.431 1.998 0 50 HDAA CCS(=O)(=O)NCc1cnc2c(c1)CN(C(=O)c1onc3ncccc13)CC2 1875248767 NAHSOVYHVMMNDV-UHFFFAOYSA-N 401.448 1.256 0 50 HDAA Cc1cncc(CC(=O)N2C[C@H]3C[C@H]2CC[C@H]3NC(=O)c2cccc3c2C(=O)NC3)c1 1875360226 BUYXFNKQELDONK-QWFCFKBJSA-N 418.497 1.985 0 50 HDAA COc1ccc([C@H]2NC(=O)CO[C@@H]2c2nc(CC(C)C)nn2CCCO)cc1OC 2100543599 VUZOHXCAGRPTTG-UXHICEINSA-N 418.494 1.805 0 50 HDAA O=C([C@@H]1CCCn2nccc21)N1C[C@H]2CC[C@H]1CN2C(=O)[C@@H]1CCCn2nccc21 2325816651 OXNAEFUOJCSNKR-XMTFNYHQSA-N 408.506 1.736 0 50 HDAA CCOC(=O)C1CCN(C(=O)[C@@H](C)N(c2ccc(OC)cc2)S(C)(=O)=O)CC1 785507 PGBCHFAHYVWSKW-CQSZACIVSA-N 412.508 1.651 0 50 HDAA COC(=O)c1ccc(N2C(=O)C[C@@H](NCCc3ccc(OC)c(OC)c3)C2=O)cc1 842614 YNHSAGSGYLYVJR-QGZVFWFLSA-N 412.442 1.955 0 50 HDAA COc1cc([C@@H]2NC(=O)N[C@@](O)(C(F)(F)F)[C@H]2C(=O)c2cccnc2)ccc1O 4269951 KYUZLWFKQNZOHE-KEYYUXOJSA-N 411.336 1.900 0 50 HDAA COc1ccccc1-c1cc(C(=O)N(C)C[C@@H]2COCCO2)cc(-n2cnnn2)c1 14953204 TXWRBUGNCRYTGI-GOSISDBHSA-N 409.446 1.825 0 50 HDAA CN1CCN(C(=O)c2cn(CCNC(=O)Cc3cccc4ccccc34)nn2)CC1 15007303 OUWYQZWRYICLSL-UHFFFAOYSA-N 406.490 1.178 0 50 HDAA COc1ccc(CCN2CCC(CN(C)C(=O)C[C@@H]3NC(=O)NC3=O)CC2)cc1 19229153 MWZXCSMFRAKSQB-SFHVURJKSA-N 402.495 1.006 0 50 HDAA O=C(NC[C@@H]1CCS(=O)(=O)C1)c1coc(COc2cccc3cccnc23)n1 67642308 GGBCYQSOKJYEMR-ZDUSSCGKSA-N 401.444 1.966 0 50 HDAA O=C([C@H]1[C@@H]2C=C[C@@]3(CN(c4ccc(CCO)cc4)C(=O)[C@H]13)O2)N1CCSCC1 77539920 MRROVYUUZDJFCT-NTLWEQJWSA-N 400.500 1.083 0 50 HDAA CCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)CSc1nnc(C)o1)CC2 95504445 AXCZMJQLSAFUIG-UHFFFAOYSA-N 404.496 1.506 0 50 HDAA CN1CCCN(C(=O)CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c2nc3ccccc3nc21 248166116 ZUWIOVJPPKIBLE-HUUCEWRRSA-N 405.458 1.754 0 50 HDAA CCOC(=O)C(C(=O)OCC)[C@@H]1[C@@H]2C(=O)[C@@H]3[C@@H]4[C@H]2[C@@H]2[C@@H]5[C@H]4[C@@H]4[C@@H]3CC[C@H]4[C@H]5C(=O)[C@H]21 253611115 MKFVYQPUKYMICH-JWDDWYMFSA-N 412.482 1.753 0 50 HDAA O=C(Nc1ccc(OCCN2CCOCC2)cc1)C1CCC(Cn2cnnn2)CC1 409415053 SANZLSFLGJTZIH-UHFFFAOYSA-N 414.510 1.829 0 50 HDAA CCCOc1cn(-c2ccccc2)nc1C(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 486755078 WPCSTGZLOBBCIC-OAHLLOKOSA-N 406.508 1.815 0 50 HDAA C[C@]1(c2ccc(CNC(=O)CC3CCC4(CC3)OCCO4)cc2)NC(=O)NC1=O 788195166 AKUBDDKYCKSEAG-HXUWFJFHSA-N 401.463 1.681 0 50 HDAA O=C(N[C@H]1C2CN3CCN(C2)CC1(c1ccccc1)C3)c1nc(O)nc2ccccc12 828400403 BDVWXLCWXHNQDR-DLQTWLKSSA-N 415.497 1.633 0 50 HDAA O=C(Cn1ncnn1)N1C[C@@H]2CN(Cc3nc(-c4ccc(F)cc4)cs3)CC[C@@H]21 1775979946 QBABZOSBERDRCP-YOEHRIQHSA-N 413.482 1.669 0 50 HDAA O=C(Cc1ccccc1F)NC[C@@H]1CN(CC2CCN(CC3CC3)CC2)C(=O)CO1 1857691187 ZEQMXXMMZFEQMP-HXUWFJFHSA-N 417.525 1.834 0 50 HDAA CCOC(=O)[C@H]1[C@@H](C)C=C[C@H]2CN(C(=O)COc3ccc(-n4cnnn4)cc3)C[C@H]12 1857708709 JAYGMXTZWKXQQN-OFVDUGFESA-N 411.462 1.501 0 50 HDAA O=C(CSc1nc(Nc2ccccc2)nc(N2CCOCC2)n1)N1CCOCC1 4384494 BVDNGQRIBLNIHJ-UHFFFAOYSA-N 416.507 1.403 0 50 HDAA O=C(c1cc2ncccn2n1)N1CCC[C@H](CNS(=O)(=O)Cc2ccccc2)C1 12702690 ZQJOSIDENOZZOO-QGZVFWFLSA-N 413.503 1.701 0 50 HDAA COc1cccc(CN2C[C@@H](OCC3CC3)CN(C(=O)c3cnccn3)CC2=O)c1 14753655 DOKRFAFKLBFNJL-LJQANCHMSA-N 410.474 1.765 0 50 HDAA COc1cc(CN2CCN(C(C)=O)CC2)ccc1OC[C@@H](O)CN1CCSCC1 15075447 JLGHCESUHKFDHS-IBGZPJMESA-N 423.579 1.148 0 50 HDAA CCCN1CCN(C(=S)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 16316395 LCDQUJGNJMDNDJ-UHFFFAOYSA-N 412.581 1.432 0 50 HDAA O=C(NCCN1CCOC1=O)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1 20537314 CZWOKOVZPPODQU-UHFFFAOYSA-N 401.463 1.648 0 50 HDAA CC(C)S(=O)(=O)N1CCC(N2CCC[C@@H](C(=O)NCc3ccccn3)C2)CC1 82156945 XDPSQNITVNIMLX-QGZVFWFLSA-N 408.568 1.612 0 50 HDAA COc1ccc(CN2CCS(=O)(=O)CC2)cc1OC[C@H](O)CN(C)C(C)C 95503964 RIVQZDQNIQSJSS-QGZVFWFLSA-N 400.541 1.006 0 50 HDAA CN(CC(=O)OCC(=O)N(CCC(N)=O)c1ccccc1)C(=O)c1ccsc1 148597194 FFMAPKSNBCYEKH-UHFFFAOYSA-N 403.460 1.272 0 50 HDAA CC(=O)N[C@H]1[C@H](OCc2ccccc2)[C@@H](O)[C@@H](CO)O[C@H]1OCc1ccccc1 216273576 IYODMICTBRMKGJ-LLVBAIKDSA-N 401.459 1.371 0 50 HDAA in-vitro CS(=O)(=O)CC[C@@H](c1nc(-c2ccccn2)no1)N1C(=O)c2ccccc2C1=O 225526003 BXXJFYKCAYOECE-HNNXBMFYSA-N 412.427 1.904 0 50 HDAA CN(C)c1ccc(Br)c(S(=O)(=O)N2CCC[C@@H]([C@H](O)C(=O)O)C2)c1 225617581 URRQBJICBZBYMM-YGRLFVJLSA-N 421.313 1.361 0 50 HDAA Cc1cnccc1N1CCCN(C(=O)CC[C@]2(CCC(=O)O)CCC(=O)N2)CC1 230559232 JRPHLBBRRLZIMA-NRFANRHFSA-N 402.495 1.723 0 50 HDAA COc1ccc(S(N)(=O)=O)cc1C(=O)O[C@H](C)C(=O)N[C@H](C)[C@H]1C[C@H]2CC[C@H]1C2 248128036 IUNLEJOSVUNTOL-USRAEIGSSA-N 424.519 1.829 0 50 HDAA Cn1ccnc1[C@H]1CN(C(=O)OC(C)(C)C)CCN1CC1CCS(=O)(=O)CC1 253416668 HFACVPVMFXIWEI-MRXNPFEDSA-N 412.556 1.839 0 50 HDAA C[C@H](Nc1ccc2c(c1)OCCn1cc(N3C(=O)OC[C@H]3C(F)F)nc1-2)C(N)=O 669678973 SGEUNORSOZVTOL-CABZTGNLSA-N 407.377 1.819 0 50 HDAA in-vitro CS(=O)(=O)N1CCO[C@H](CNC(=O)c2ccc(N3CCCC3)c(Cl)c2)C1 952977042 ZLSKWAQDRCQYHL-CQSZACIVSA-N 401.916 1.330 0 50 HDAA Cc1ccc(S(=O)(=O)NCCCNc2cncc(C(=O)N3CCOCC3)n2)cc1 1506417329 PSIGGOPEHSDYHF-UHFFFAOYSA-N 419.507 1.038 0 50 HDAA COc1cc(-c2onc(N(C)C)c2C(=O)N2CCC[C@](O)(CO)CC2)ccc1F 1704336268 JUECZMAXBWXABE-HXUWFJFHSA-N 407.442 1.905 0 50 HDAA NC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCC(=O)N2CCCCC2)CC1 1750395028 IFVYUILMGZWKGO-KRWDZBQOSA-N 418.542 1.276 0 50 HDAA O=C(c1cnsc1)N1C[C@H]2CN(C(=O)c3scc4c3OCCO4)C[C@@]2(CO)C1 1772709187 HRQJPLIQJNAQCL-KPZWWZAWSA-N 421.500 1.183 0 50 HDAA CCn1cc(CN2C[C@@H]3CN(CC4COCCOC4)C[C@@]3(CCC(=O)O)C2)cn1 1772817918 JFWUKNYAUDVNDD-TZIWHRDSSA-N 406.527 1.165 0 50 HDAA CCOC(=O)[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CCN(C(=O)c1ccc(=N)[nH]c1)C2 1857692651 NUYNIZJKWILJON-JBYIUTFZSA-N 416.522 1.390 0 50 HDAA CO[C@H]1C[C@@H](C(=O)N2CCN(C)CC2)CC[C@@H]1NC(=O)CCc1n[nH]c(C)c1C 1857705112 STRHRUYHRMZOKK-WDSOQIARSA-N 405.543 1.033 0 50 HDAA O=S(=O)(N[C@@H]1C[C@H]2CO[C@@H](c3ccc(Cl)cc3)CN2C1)C1CCOCC1 1857707631 WTKDHQSVMZESGG-SOLBZPMBSA-N 400.928 1.953 0 50 HDAA O=C1NCCCN(CC2CC2)CCN2C(=O)[C@@]3(c4ccccc42)[C@H]1C[C@@H]1CCCN13 1875240640 FQYKCASQIVBNLJ-VAXXYWNWSA-N 408.546 1.945 0 50 HDAA NC(=O)[C@@H]1CCCN(Cc2cccc(NC(=O)CCn3nc4ccccn4c3=O)c2)C1 1875257410 VJIVQUQTZGHJCR-QGZVFWFLSA-N 422.489 1.222 0 50 HDAA CCCOc1ccc(N2C(=O)C[C@@H](NCCCN3CCC(C(N)=O)CC3)C2=O)cc1 4176776 GSPNRZLNIMOZGS-LJQANCHMSA-N 416.522 1.284 0 50 HDAA CCOC(=O)C1CCN(C(=O)CN(c2cccc(C(C)=O)c2)S(C)(=O)=O)CC1 4434683 AGDICOMWYBELEV-UHFFFAOYSA-N 410.492 1.457 0 50 HDAA O=C(C1CCN(c2nc3nonc3nc2N2CCCCCC2)CC1)N1CCOCC1 12300816 OQDFXPLROPRMJR-UHFFFAOYSA-N 415.498 1.468 0 50 HDAA NC(=O)C1(N2CCCCC2)CCN(C(=O)[C@@H]2CCC(=O)N(C3CCCC3)C2)CC1 12586186 LEHVBJSOPUVJQC-QGZVFWFLSA-N 404.555 1.500 0 50 HDAA CN(C)CCN(C)C(=O)c1cccc(OC2CCN(C(=O)[C@H]3CCCO3)CC2)c1 14948014 GFPUKFUHXLZMOJ-HXUWFJFHSA-N 403.523 1.869 0 50 HDAA CCN1CCN(C[C@H](O)COc2cccc(CN(C)Cc3cc(C)on3)c2)CC1 95515310 PCDIMEVBWDJHEG-NRFANRHFSA-N 402.539 1.992 0 50 HDAA CS(=O)(=O)c1ccc2ncnc(NCCc3ccc(S(N)(=O)=O)cc3)c2c1 170606564 SBOAMKWBQNOWTA-UHFFFAOYSA-N 406.489 1.335 0 50 HDAA COc1ccc(N2C(=O)[C@H](CC(=O)NC[C@H]3COc4ccccc4O3)N=C2O)cc1 252494641 OASIUDWYGIMCMJ-HOTGVXAUSA-N 411.414 1.671 0 50 HDAA CN1Cc2cc(NS(=O)(=O)c3cc(Cl)ccc3OCC(N)=O)ccc2NC1=O 479537814 APASQCLJBANVJP-UHFFFAOYSA-N 424.866 1.982 0 50 HDAA COc1ccc2c(c1)C=C(CN1CCCN(S(=O)(=O)N3CCCC3)CC1)CO2 824750966 ISRXFYMYMDEKHS-UHFFFAOYSA-N 407.536 1.819 0 50 HDAA Cc1sc2nc(CCNC(=O)c3cccc(OCC(N)=O)c3)nc(O)c2c1C 826838229 XLJPMCZHAJEWPP-UHFFFAOYSA-N 400.460 1.850 0 50 HDAA CC(C)c1cc(C(=O)N2C[C@H]3CN(Cc4ccns4)C[C@@]3(CO)C2)nc(N)n1 1772808657 XHPIXFCWTNFCBX-YJYMSZOUSA-N 402.524 1.205 0 50 HDAA CN1CCC(C(=O)N2CCO[C@@H](CN3CCC(O)CC3)[C@@H]2c2ccccc2)CC1 1857727057 KAYYHIJQXXPEAF-VXKWHMMOSA-N 401.551 1.754 0 50 HDAA O=C(CO)N1[C@H]2CC[C@@H]1C[C@]2(Cc1ccccc1)C(=O)N1CCC(c2nc[nH]n2)CC1 1857731177 BNTJSUREPATPON-MSYCTHLASA-N 423.517 1.495 0 50 HDAA O=C1CC[C@H](c2ccccc2)CCNC(=O)CN(CC2COCCOC2)CCCN1 1875241236 RESSLMBSOTWAMX-NRFANRHFSA-N 417.550 1.542 0 50 HDAA C[S@@](=O)(=NC(=O)C1=CS(=O)(=O)CCC1)C1CCN(C(=O)[C@H]2CC2(F)F)CC1 2332238584 DJYMJMBQOXSQIX-SRGMZFCMSA-N 424.491 1.350 0 50 HDAA O=C(Nc1ccc2c(c1)OCCO2)c1cccc(S(=O)(=O)N2CCOCC2)c1 837437 SEHUMXGMMVACOH-UHFFFAOYSA-N 404.444 1.731 0 50 HDAA Nn1c(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)nnc1-c1ccccc1 2369654 QTSDEMAZBYSTPX-UHFFFAOYSA-N 404.477 1.037 0 50 HDAA Cn1c(=O)n(CC(=O)NCc2ccccc2)c(=O)c2c3c(sc21)COC(C)(C)C3 6755795 KFCTTZKUAOXABU-UHFFFAOYSA-N 413.499 1.929 0 50 HDAA CCN(CC)C(=O)[C@@H]1CCCN(C(=O)Cn2nnnc2CN2CCCCCC2)C1 11661351 AVDRYUCCHDIJLO-QGZVFWFLSA-N 405.547 1.156 0 50 HDAA COc1cccc(N2C(=O)CN(C(=O)[C@@H]3CC(=O)N(Cc4ccccn4)C3)C[C@@H]2C)c1 12151730 XAZGPJWDMNSSMT-DLBZAZTESA-N 422.485 1.703 0 50 HDAA Cn1cnnc1SCCNC(=O)[C@H]1CCC(=O)N(CCCc2ccccc2)C1 12586759 LBCGUUQBTOMYGZ-KRWDZBQOSA-N 401.536 1.895 0 50 HDAA CCCn1nc(C(=O)N2CCSCC2)c2c1CC[C@@H](NCCC(=O)OCC)C2 14534547 BEZCOKDDXVXDAV-OAHLLOKOSA-N 408.568 1.882 0 50 HDAA CCc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCCC[C@H]3C(=O)O)CC2)cc1 17088019 SOVOGVMUWDGPJI-QZTJIDSGSA-N 408.520 1.973 0 50 HDAA COc1ccc(CN2C(=O)N[C@H](CC(=O)N3CCN(c4ccccn4)CC3)C2=O)cc1 206249062 GEQXQHANDPARGY-GOSISDBHSA-N 423.473 1.250 0 50 HDAA Cc1ccc(S(=O)(=O)NCCCNc2cncc(C(=O)N3CCCC3)n2)cc1 1506408267 CWHSWYOVUBVLJO-UHFFFAOYSA-N 403.508 1.802 0 50 HDAA Cc1nc(O)nc(C)c1CCC(=O)N1CCCN(C(=O)CCn2cccn2)CC1 1529106430 PCALUSTZSRWUIO-UHFFFAOYSA-N 400.483 1.079 0 50 HDAA Cc1cc(C(=O)N2C[C@H]3CN(S(=O)(=O)c4cccs4)C[C@@]3(CN(C)C)C2)no1 1772818145 NDBYWHOCHAKBCF-KBXCAEBGSA-N 424.548 1.369 0 50 HDAA O=C(NCc1ccc2nc(O)[nH]c2c1)[C@@]12CC[C@H](N3CCOCC3)C[C@H]1CCNC2 1857689124 GJUCNXAISGGRDY-HYFFOGBASA-N 413.522 1.365 0 50 HDAA CN(C)C(=O)C[C@H]1CN2C[C@@H](NC(=O)c3c[nH]nc3-c3cccc(F)c3)C[C@H]2CO1 1857714503 BVPNKULCUMKHHS-ULQDDVLXSA-N 415.469 1.266 0 50 HDAA COc1cc(-c2cn(CC(=O)O)nn2)ccc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](CO)C2 1875355192 COAXKTDZOMKGSL-YOWGUQMCSA-N 400.435 1.414 0 50 HDAA COc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(=O)N2CCOCC2)cc1 890151 SFRHEPWSECCNMJ-FQEVSTJZSA-N 416.499 1.670 0 50 HDAA CCn1cc(/C=c2\sc3n(c2=O)[C@H]2c4ccccc4O[C@@](C)(N=3)[C@@H]2C(C)=O)cn1 2800263 SOPKFEYMKYRCRK-ILSIJTOGSA-N 408.483 1.491 0 50 HDAA COc1ccc(OCC(=O)NCCn2cc(C(=O)N(C)Cc3ccccc3)nn2)cc1 12034341 YXLDIBJSWYKWDX-UHFFFAOYSA-N 423.473 1.754 0 50 HDAA O=C(c1cc[nH]n1)N1CCc2ccc(S(=O)(=O)NCCCn3ccnc3)cc2C1 77298202 BYNHYYZPOYMWHS-UHFFFAOYSA-N 414.491 1.173 0 50 HDAA O=C([C@@H]1CCCN(C2CCN(Cc3cccnc3)CC2)C1)N1CCC(CO)CC1 91626338 LFMRRHOKSAYGKQ-OAQYLSRUSA-N 400.567 1.989 0 50 HDAA CCS(=O)(=O)NCc1ccc(C(=O)NC[C@@]2(O)[C@@H]3[C@@H]4[C@H]5[C@H]6C[C@@H]4[C@H]2[C@@H]6C[C@H]53)cc1 428016455 WUCGJNNZAJEPAI-BYPXELQWSA-N 416.543 1.365 0 50 HDAA COc1cc2ncn(CCCC(=O)N3CC[C@@]4(CCOC4)C3)c(=O)c2cc1OC 465095222 MLSKGGZLFKGQKE-OAQYLSRUSA-N 401.463 1.833 0 50 HDAA COc1ccc(-n2cccn2)cc1S(=O)(=O)N1CCN(CC(F)(F)F)CC1 952987749 JNMCSJCPYNXVNX-UHFFFAOYSA-N 404.414 1.750 0 50 HDAA CCN(CC(=O)Nc1cccc(OC)c1)S(=O)(=O)c1cccc2c1NC(=O)CO2 1875257218 IEGZFRHDPWXWEU-UHFFFAOYSA-N 419.459 1.675 0 50 HDAA C=CC(=O)N1CCC(C(=O)N2CCOC23CCN(C(=O)OC(C)(C)C)CC3)CC1 1875369444 OIQCJYFMSZGJKE-UHFFFAOYSA-N 407.511 1.997 0 50 HDAA COC(=O)c1cc(OC)c(OC)cc1NC(=O)CN(C)S(=O)(=O)c1ccccc1 2866899 BSZPMDYQPXJBLV-UHFFFAOYSA-N 422.459 1.750 0 50 HDAA COCCCNC(=O)C1CCN(S(=O)(=O)c2cc(OC)ccc2OC)CC1 4504307 WGHKBFDLFDRPBF-UHFFFAOYSA-N 400.497 1.257 0 50 HDAA CC(C)Cn1c(CN2CCC(N3CCSCC3)CC2)cnc1S(C)(=O)=O 11663996 DESLYOOHVGAYAX-UHFFFAOYSA-N 400.614 1.956 0 50 HDAA O=C1N[C@H](Cc2ccc(O)cc2)C(=O)N2C[C@@H](NCc3cccc4cccnc34)C[C@@H]12 14535390 XIUAQBKNCXWNCS-TYPHKJRUSA-N 416.481 1.741 0 50 HDAA CS(=O)(=O)c1ncc(CN2CCN(c3cnccn3)CC2)n1CC1CCCCC1 19743701 AWPQLXUVUDFJHC-UHFFFAOYSA-N 418.567 1.979 0 50 HDAA CC(=O)N[C@H]1[C@@H](O)O[C@@H]2CO[C@@H](c3ccccc3)O[C@@H]2[C@@H]1OC(=O)c1ccccc1 22046246 GFPZIAKCJILCRW-AMLBEPSNSA-N 413.426 1.548 0 50 HDAA in-vitro COCCCNC(=O)c1nn(C)c2c1CN([C@H]1CCN(Cc3ccccc3)C1)CC2 23354263 CZEQBWFOZPBOGX-IBGZPJMESA-N 411.550 1.819 0 50 HDAA Cc1cnc(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N3CC(c5cccnc5)C3)[C@@H]4C2=O)cn1 77470500 LOLCOOQTVSPLDG-VAWZGJIGSA-N 417.469 1.088 0 50 HDAA C[C@@H](Cn1cncn1)C(=O)N1CCC2(CC1)CN(CCOc1ccccc1)C(=O)O2 77520235 RKLWVBBEEIJEQV-KRWDZBQOSA-N 413.478 1.807 0 50 HDAA COc1ccccc1N1CCN([C@@H]2CCCN(C(=O)CCN3CCOCC3)C2)CC1 95347272 SPZVWSLNYPQQJF-HXUWFJFHSA-N 416.566 1.531 0 50 HDAA CC(C)Oc1ccccc1[C@H](C)NC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 240897268 IRRUWSSWGYCFQR-JYJNAYRXSA-N 408.520 1.687 0 50 HDAA Cc1ncc(CN(C)S(=O)(=O)CCOCCN2C(=O)c3ccccc3C2=O)s1 241126159 JJXPXLJOSOLNPV-UHFFFAOYSA-N 423.516 1.526 0 50 HDAA CNC(=O)c1cccc(S(=O)(=O)NCc2cnn(-c3cccc(OC)c3)c2)c1 670451418 QWVNZXASNDFMNU-UHFFFAOYSA-N 400.460 1.719 0 50 HDAA O=C(c1cscn1)N1CCC2(CC1)CN(C(=O)[C@H](O)c1ccccc1)CCO2 827653581 FDEJFFVJBXFOAJ-QGZVFWFLSA-N 401.488 1.710 0 50 HDAA CCOc1cc(C)c(Cl)cc1S(=O)(=O)N1CCN(CC(=O)O)C(=O)[C@@H]1C 1506427267 XPBJRGBZQKNCAY-NSHDSACASA-N 404.872 1.353 0 50 HDAA N=c1ccnc(N2CCC3(CCc4c3nc(-c3ccccc3)[nH]c4=NCCO)CC2)[nH]1 1857685720 QXBPKRROSYJFJF-UHFFFAOYSA-N 417.517 1.657 0 50 HDAA O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)[C@@H]1[C@@H]2C(=O)N(Cc3ccccc3)C[C@]23C=C[C@H]1O3 2356163809 RPSAYYATZNGIAG-IYKHAXPESA-N 410.470 1.728 0 50 HDAA COc1ccc(C(=O)N2C[C@H](O)[C@@H](N3CCC(OCc4cccnc4)CC3)C2)cc1 12429965 DPXMCHJLEPMBHG-VXKWHMMOSA-N 411.502 1.957 0 50 HDAA Cc1ccn(-c2ccc(N3CCN(S(=O)(=O)c4ccc(F)cc4F)CC3)nn2)n1 13009348 SRPUQLUZAJLCQA-UHFFFAOYSA-N 420.445 1.760 0 50 HDAA CC1CCN(Cc2nnnn2CCCC(=O)NC[C@H]2COc3ccccc3O2)CC1 15067016 VVPAYSPRJAPNCE-KRWDZBQOSA-N 414.510 1.641 0 50 HDAA COc1ccc(S(=O)(=O)NCCc2ccccc2)cc1C(=O)N1CCOCC1 16576756 NQDHPPGQRLJSFE-UHFFFAOYSA-N 404.488 1.689 0 50 HDAA Cc1ccsc1CN1CCc2nnc(CCNC(=O)C3CCOCC3)n2CC1 20449029 LBVNEJGEINJULG-UHFFFAOYSA-N 403.552 1.792 0 50 HDAA CCCCN1CCN([C@H](C(=O)N2CCCN(CC)CC2)c2ccccc2)C(=O)C1=O 77393314 NNBIBWFGFWXFBS-FQEVSTJZSA-N 414.550 1.753 0 50 HDAA C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1S(=O)(=O)C1=Cc2ccccc2OC1 170608170 AFWKXJJBPSITKJ-GFCCVEGCSA-N 406.485 1.848 0 50 HDAA O=c1cc(N2CC[C@H](O)C2)cnn1[C@@H]1CCCN(Cc2cccc3c2OCCO3)C1 328606939 UCXFVNKIBYIWHM-MJGOQNOKSA-N 412.490 1.423 0 50 HDAA C[C@@]1(c2cccc(CNC(=O)[C@H]3CC(=O)N(c4ccc(F)cc4)C3)c2)NC(=O)NC1=O 1338671752 WNLMDNNICYRILD-FPTDNZKUSA-N 424.432 1.550 0 50 HDAA CSCc1noc(CN2C[C@H]3CN(Cc4ccncc4Cl)C[C@@]3(CO)C2)n1 1772804367 NLQYLKGVDZVDGM-KDOFPFPSSA-N 409.943 1.907 0 50 HDAA Cc1ccn(CCC(=O)N2CCO[C@@H](CN3CCCCC3)[C@@H]2c2cnn(C)c2)n1 1857727046 JXQSYFKNDFXVRK-FPOVZHCZSA-N 400.527 1.770 0 50 HDAA CCCO[C@H]1C[C@@H](C(=O)NCc2noc(C)n2)CC[C@@H]1NC(=O)c1c[nH]nc1C 2100545518 UICWWKWTEQBKSX-BPUTZDHNSA-N 404.471 1.420 0 50 HDAA O=C(N[C@H]1COC2(C1)CN(C(=O)c1ccccn1)C2)c1ccc(-c2cc[nH]n2)s1 2325872015 DYBMZTGOXHQDGB-CYBMUJFWSA-N 409.471 1.947 0 50 HDAA COC(=O)[C@H](C)Sc1nc2c(c(=O)[nH]c(=O)n2C)n1CCCc1ccccc1 637610 LYRUSFDONVWEBH-LBPRGKRZSA-N 402.476 1.710 0 50 HDAA Cc1nccn1CC[C@@H](NC(=O)Cn1nnnc1CN1CCCC1)c1ccccc1 11936408 FVDROGNXXQHQCJ-LJQANCHMSA-N 408.510 1.722 0 50 HDAA COCCS(=O)(=O)c1ncc(CN(C)Cc2cnccn2)n1Cc1ccccc1 55325601 FDIYTBYTLMAKFA-UHFFFAOYSA-N 415.519 1.774 0 50 HDAA COc1ccc(OC2CCN(C(C)=O)CC2)c(C(=O)N[C@@H](C)Cn2cncn2)c1 95497761 BIBLWUZNWFDCJC-AWEZNQCLSA-N 401.467 1.495 0 50 HDAA CCOC(=O)CNC(=O)c1ccc(Cn2ccn3nc4c(c3c2=O)CCCC4)cc1 169760247 ZAGYPAQMEPSBEG-UHFFFAOYSA-N 408.458 1.716 0 50 HDAA CC1=C(C(=O)Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)Cn2nnnc2N1C 225503656 LTULKOPBQNMCBT-RYUDHWBXSA-N 401.446 1.788 0 50 HDAA CN1CCN2c3ccccc3C[C@]3(C(=O)NC(=O)N(Cc4ccc(F)cc4)C3=O)[C@H]2C1 245325992 IMAIZNBJZMIBAU-AUSIDOKSSA-N 422.460 1.767 0 50 HDAA Cc1noc(C)c1NC(=O)c1cccc(S(=O)(=O)N2C[C@@H]3C[C@H]4C[C@H]3[C@@H]2[C@H]4O)c1 408525074 JVZTZCLOLKEQMN-LBCSOOOPSA-N 417.487 1.934 0 50 HDAA O=S(=O)(Cc1ccccc1)N1CCCN(S(=O)(=O)N2CCCCC2)CC1 952962121 BEFJDXOAYAOTBT-UHFFFAOYSA-N 401.554 1.255 0 50 HDAA O=C(Cc1ccc(F)c(F)c1)NC[C@@H]1CCCN(C(=O)Cn2ccc(=O)cc2)C1 1506431232 GREIVGIFXYNURV-INIZCTEOSA-N 403.429 1.724 0 50 HDAA CSCC(=O)N1C[C@@H]2CN(C(=O)c3n[nH]c4ccccc34)C[C@]2(CN(C)C)C1 1772709685 IYLPESRHGLEWOO-VLIAUNLRSA-N 401.536 1.388 0 50 HDAA COc1ccc([C@@H]2[C@H](C(=O)NCCN3CCCCC3)C[C@@H]3CN(C)CC(=O)N23)cc1 1857681190 BSVFKIMDRPCJHY-SYYKKAFVSA-N 414.550 1.501 0 50 HDAA O=C(CCCN1CCOCC1)N1CCC[C@@]2(CCc3c(O)nc(C4CC4)nc32)C1 1857689448 QDIJOSHCQKDPME-JOCHJYFZSA-N 400.523 1.978 0 50 HDAA NCc1nc(C(=O)N2CCO[C@@H](CN3CCC(O)CC3)[C@@H]2c2ccccc2)co1 1857711484 CFTKTGWGLLFAIJ-ICSRJNTNSA-N 400.479 1.172 0 50 HDAA CC(C)[C@@H]1CO[C@@]23CCN(S(=O)(=O)c4ccc5c(c4)OCCCO5)[C@@H]2CC(=O)N13 1857732390 OGSUBGATEYXTKT-CVAIRZPRSA-N 422.503 1.594 0 50 HDAA COC(=O)CCCC(=O)N1CC(=O)N2[C@@H](C[C@H](C(=O)OC)[C@@H]2c2ccccc2)C1 1875239793 DNTKNFYCFAMTMD-FTRWYGJKSA-N 402.447 1.303 0 50 HDAA COC(=O)[C@H](C)Sc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccccc1Cl 637665 UMFSGRUODCJBKX-VIFPVBQESA-N 408.867 1.779 0 50 HDAA CCn1ncc(NS(=O)(=O)c2cnn(C)c2C)c1C(=O)Nc1cnn(C)c1C 2804605 LBCQQGKAMXBFNV-UHFFFAOYSA-N 406.472 1.040 0 50 HDAA CCn1ncc(Cl)c1CNC(=O)[C@H]1CCCN(S(=O)(=O)c2cnn(C)c2)C1 2806543 GYAWUGKHZXEBMH-LBPRGKRZSA-N 414.919 1.007 0 50 HDAA Cc1cnc(C)c(N2CCN(C(=O)C[C@H]3C(=O)NCCN3Cc3ccccc3)CC2)n1 12751395 PEIFNBDQBFBAKG-FQEVSTJZSA-N 422.533 1.133 0 50 HDAA O=C1N[C@@H](Cc2c[nH]cn2)C(=O)N2CCN(C(=O)Oc3cccc4ccccc34)C[C@H]12 14530686 UEQQPSYBHMIWTJ-ZWKOTPCHSA-N 419.441 1.316 0 50 HDAA CCS(=O)(=O)N1CCN(C(=O)c2cc3c(C(F)(F)F)nn(C)c3s2)CC1 20616382 ZKFMPGYRBMIJOQ-UHFFFAOYSA-N 410.443 1.761 0 50 HDAA Cc1nonc1CN(C)C(=O)C[C@H]1C(=O)NCCN1Cc1c(F)cccc1Cl 55183052 ICCLZIWWLPUQLT-INIZCTEOSA-N 409.849 1.520 0 50 HDAA COc1ccc(CCn2nc(C(=O)O)c3c2CCN(C(=O)c2cnn(C)c2)C3)cc1 67790580 GCLVHFGLTBOLQY-UHFFFAOYSA-N 409.446 1.765 0 50 HDAA Cc1cccc(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N(C)Cc3ccncn3)[C@@H]4C2=O)c1 77337105 RTKJTELCCRZSLG-VAWZGJIGSA-N 404.470 1.726 0 50 HDAA Cc1cc(C(=O)N2CCc3cc(S(=O)(=O)NC[C@@H]4CCCO4)ccc3C2)no1 77489715 HXVAQHCBNPSHOF-INIZCTEOSA-N 405.476 1.639 0 50 HDAA COC[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CCN(Cc1cnc(N(C)C)nc1)C2 95365222 CBILMBUCAXRVPU-SJBKTWHCSA-N 403.571 1.882 0 50 HDAA CS(=O)(=O)N1CCC(Oc2ccc(C(=O)N3CC[C@@H](O)C3)cc2Cl)CC1 95512595 FREQDYCMHVKDGA-CYBMUJFWSA-N 402.900 1.350 0 50 HDAA COc1cc(CN2CCC(F)(F)CC2)ccc1OC[C@H](O)CN1CCOCC1 95524195 XXNMFAIKPCEBAK-QGZVFWFLSA-N 400.466 1.998 0 50 HDAA Cc1noc(C)c1S(=O)(=O)N[C@H]1CC[C@@H](n2cc(C(=O)NCC(C)C)nn2)CC1 244742101 OBYSOCSABPVKNJ-GASCZTMLSA-N 424.527 1.731 0 50 HDAA O=C(CC[C@H]1N=C(O)N(Cc2ccccc2)C1=O)N1CCN(c2ccccn2)CC1 252518189 AGRBXZYUNFSTNC-GOSISDBHSA-N 407.474 1.835 0 50 HDAA COc1ccc(C(=O)N2CCN(C(=O)N[C@H](C)c3ncnn3C)CC2)cc1OC 473926391 FLGSXMCRNLKHGC-CYBMUJFWSA-N 402.455 1.061 0 50 HDAA CCCNC(=O)c1ccc(C)c(NC(=O)C2CCN([C@@H]3CCS(=O)(=O)C3)CC2)c1 1506405364 ZWBJDIDMMADRHZ-GOSISDBHSA-N 421.563 1.972 0 50 HDAA CC(C)CCN1C[C@@H]2CN(S(=O)(=O)c3ccc4c(c3)oc(=O)n4C)C[C@]2(CO)C1 1772806022 XETPKCFSWPXCME-QRWLVFNGSA-N 423.535 1.092 0 50 HDAA Cc1oc(-c2ccno2)cc1S(=O)(=O)N1C[C@H]2CN(CC(C)C)C[C@@]2(CO)C1 1772813080 VDQNPPKUMBFLTB-BEFAXECRSA-N 409.508 1.814 0 50 HDAA O=C(c1ccc(N2CCOCC2)nc1)N1CC[C@H]2[C@@H](C1)CN2C(=O)C1CCOCC1 1775981232 HZZUWEJZITVPGL-OALUTQOASA-N 414.506 1.018 0 50 HDAA CCc1nnc(N2C[C@@H](C(=O)NC3CCN(c4cccnn4)CC3)CC2=O)s1 1857723071 VXQOZXVLERHXII-LBPRGKRZSA-N 401.496 1.029 0 50 HDAA O=C([C@@H]1C[C@H]2CCCN2[C@]12C(=O)Nc1ccccc12)N1CCc2c(O)ncnc2C1 2356147436 WJAXFWFTXHVHCT-DHZVRSILSA-N 405.458 1.399 0 50 HDAA CN(C)S(=O)(=O)N1CCC(C(=O)NCCSCc2ccccc2F)CC1 10281982 MYDDUHPTVAYEMH-UHFFFAOYSA-N 403.545 1.694 0 50 HDAA COc1cccc(CN2CCC3(CC2)C(=O)N(CC(N)=O)C(=O)N3CCC(C)C)c1 14542816 GYKRSMITUVFWGE-UHFFFAOYSA-N 416.522 1.825 0 50 HDAA COc1ccc(CCNC(=O)[C@@H]2CCCN(c3ccc4nncn4n3)C2)cc1OC 32103996 JALXULZCOHPKFD-MRXNPFEDSA-N 410.478 1.717 0 50 HDAA Cc1cn2cc(CNC(=O)c3ccc(CN4CCC(O)CC4)[nH]c3=O)nc2s1 77355911 QLUACAWVBTXNFN-UHFFFAOYSA-N 401.492 1.279 0 50 HDAA CSCC[C@H](N)C(=O)N1CCC2(CCC(=O)N(CCc3cccnc3)C2)CC1 91908149 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O=C1CC[C@H](N2Cc3cc(C(=O)N4CCC[C@@H](OC(F)F)C4)ccc3C2=O)C(=O)N1 2325901633 OOKAAGMKGFKEPI-HIFRSBDPSA-N 421.400 1.291 0 50 HDAA COc1ccc(OCC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)cc1 899794 OVUIRPGBUMJLDA-UHFFFAOYSA-N 404.488 1.748 0 50 HDAA COc1cc(CNCCCn2ccnc2)ccc1OC[C@H](O)CN1CCSCC1 12447349 FYEGWLCIVIPVAK-LJQANCHMSA-N 420.579 1.860 0 50 HDAA CC(C)C[C@H]1C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)C[C@@H]2C(=O)N1C 14540617 NZHWGXFHFONKNZ-JKSUJKDBSA-N 413.927 1.428 0 50 HDAA O=C1CC[C@H](C(=O)N2CCN(c3ccccc3)CC2)CN1CCCN1CCOCC1 20995987 WSTHYEQSWNALMI-FQEVSTJZSA-N 414.550 1.296 0 50 HDAA COc1cccc(CN2CC3(CCN(C(=O)C[C@@H]4CNCCO4)CC3)CC2=O)c1 95524157 FMUADUWERPMIAV-LJQANCHMSA-N 401.507 1.415 0 50 HDAA COC(=O)[C@@H]1N[C@H](C(=O)OC)[C@@H](c2ccccc2)S(=O)(=O)[C@H]1c1ccccc1 101012524 DZZNYSWTPABICD-FZDBZEDMSA-N 403.456 1.570 0 50 HDAA COCCn1c(S[C@@H]2CCC(=O)NC2=O)nc2sc3c(c2c1=O)CCCC3 170596273 XKXWGDXNANBFLL-GFCCVEGCSA-N 407.517 1.881 0 50 HDAA O=C1NC[C@H]2[C@H]1CCCN2C(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1 170608573 UKVBTWMVHVBUMD-MSOLQXFVSA-N 405.520 1.602 0 50 HDAA O=C(C(=O)N1CC[C@H](N2CCN(CCc3ccccc3)CC2)[C@@H](O)C1)c1ccco1 208922393 WEEYOQXICLWVJN-PMACEKPBSA-N 411.502 1.284 0 50 HDAA CN1CCN2c3ccccc3C[C@@]3(C(=O)NC(=O)N(CCc4ccccc4)C3=O)[C@H]2C1 245328135 RZBBJXPUMQNBCQ-YKSBVNFPSA-N 418.497 1.671 0 50 HDAA COCc1ccc(C(=O)N2CCC[C@H](n3ncc(N4CCOCC4)cc3=O)C2)cc1 328608599 ZYHIHMWIWYOHHR-IBGZPJMESA-N 412.490 1.704 0 50 HDAA CC[C@@H]1CN(c2ncnc3c2ncn3C[C@H](O)[C@H]2CCCO2)C[C@@]2(CCOC2)O1 888097842 QKVUQFDHARKMSD-UIVXKWKOSA-N 403.483 1.141 0 50 HDAA Cc1cc([C@](C)(O)CNC(=O)[C@H]2C[C@H](O)CN2C(=O)Cc2ccccc2F)c(C)o1 1465431835 DGIXZOFNDBTARY-DKZVUGQWSA-N 418.465 1.564 0 50 HDAA CCOCCC(=O)N1C[C@H]2CN(Cc3cc4c(cc3Cl)OCO4)C[C@@]2(CO)C1 1772706070 LQUVIRDFKCCTEW-QRWLVFNGSA-N 410.898 1.748 0 50 HDAA CCCCN1C[C@H]2CN(C(=O)CN(c3cccc(C)c3)S(C)(=O)=O)C[C@]2(CO)C1 1772816213 LCEIYGNJWVCJBF-RXVVDRJESA-N 423.579 1.314 0 50 HDAA CO[C@@H]1CC[C@H](C(=O)N(C)CCc2ccccn2)C[C@H]1NC(=O)CN1CCCC1=O 1857685191 QDGYJMCIUYAVBS-QXAKKESOSA-N 416.522 1.005 0 50 HDAA CO[C@H]1C[C@@H](C(=O)NCCc2ccncc2)CC[C@@H]1NC1CCN(C(C)=O)CC1 1857725906 SHWVUUCTJNILNQ-JBACZVJFSA-N 402.539 1.525 0 50 HDAA O=C(c1ccn2nccc2c1)N1CCO[C@@H](CN2CCOCC2)[C@@H]1c1cccnc1 1857738153 TVOORPWTSYVUJX-SFTDATJTSA-N 407.474 1.644 0 50 HDAA O=C1CC[C@H](c2ccccc2)CCNC(=O)CN(C(=O)C2CCNCC2)CCCN1 1875240158 KEYDOFRKMQUCNX-IBGZPJMESA-N 414.550 1.405 0 50 HDAA CN1CC[C@H](C(=O)N(C)C[C@H]2CCCN2C(=O)c2csc3nnsc23)C1=O 1875360342 GDDDRUURXITYHP-MNOVXSKESA-N 407.521 1.294 0 50 HDAA COC(=O)CN1C(=S)N(C)C(=O)/C1=C/c1cc(OC)c(O)cc1Br 1130194 RTKNRBRMNLWWIB-WMZJFQQLSA-N 415.265 1.736 0 50 HDAA COc1ccc(OC)c(NC(=O)CN2CCC(C(N)=O)(N3CCCCC3)CC2)c1 4741253 FVSRSMUDOIZQAX-UHFFFAOYSA-N 404.511 1.448 0 50 HDAA CN1C(=O)[C@H]2CN(C(=O)Nc3cccc(F)c3)CCN2C(=O)[C@@H]1Cc1ccccc1 14531587 QTUDTSDHYLCJGB-RBUKOAKNSA-N 410.449 1.954 0 50 HDAA CC(C)[C@@H]1NC(=O)[C@@H]2C[C@H](NCc3cnn(-c4cccc(Cl)c4)c3)CN2C1=O 14744086 RMYXRYBAUHDBII-SZMVWBNQSA-N 401.898 1.739 0 50 HDAA CN1CCC(N(C)C(=O)C[C@H]2C(=O)NCCN2Cc2ccc(Cl)c(F)c2)CC1 19536899 MURFCRSUAIVIPV-SFHVURJKSA-N 410.921 1.722 0 50 HDAA Nc1nc(N[C@@H](O)C(Cl)(Cl)Cl)nc(N[C@H](O)C(Cl)(Cl)Cl)n1 25666835 KSWAAUWXVSYKCI-XIXRPRMCSA-N 420.899 1.655 0 50 HDAA Cc1ccc(C)c(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N(C)Cc3cnn(C)c3)[C@@H]4C2=O)c1 77354678 XLBVAYHIJFBGQT-JCUDRXCFSA-N 420.513 1.978 0 50 HDAA COc1cccc(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N(C)Cc3cnn(C)c3)[C@H]4C2=O)c1 77472363 NOEUQOXJKAONQO-SRYPRDQNSA-N 422.485 1.369 0 50 HDAA CN(Cc1nccn1C)C(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(Cc4ccc(F)cc4)C(=O)[C@@H]13)O2 77506211 KHNRSKYYGMVUJW-VGYLUTEMSA-N 410.449 1.500 0 50 HDAA CCN1CCN(C[C@@H](O)COc2cccc(CN3CCC4(CCO4)CC3)c2)CC1 95519617 WVVFJVRGIBQPPI-OAQYLSRUSA-N 403.567 1.819 0 50 HDAA COC(=O)[C@@H]1CCCN1C(=O)Cc1ccc(N2CCC(NCCN(C)C)CC2)cc1 299758539 MJSWXLRIDCRGFX-NRFANRHFSA-N 416.566 1.513 0 50 HDAA Cc1cccc(OC(F)F)c1NS(=O)(=O)c1cnc2c(c1)c(O)nc(=O)n2C 481970600 FUVQMNZGXACXDA-UHFFFAOYSA-N 412.374 1.745 0 50 HDAA O=C(O)COc1ccc(CN[C@H]2C3CN4CCN(C3)CC2(c2ccccc2)C4)cc1 1529147396 YPCSNTRUAMJWMU-JWLIYLPMSA-N 407.514 1.807 0 50 HDAA CC(C)OCC(=O)N1CCc2ncn3c2[C@@H]1c1cccc(c1)OCCCNC(=O)C3 1775977686 LWOLNJVHXDKZLH-NRFANRHFSA-N 412.490 1.681 0 50 HDAA O=C(CCCn1cccn1)NC[C@@H]1CN(CC2CCN(CC3CC3)CC2)C(=O)CO1 1857668735 SZFWYPXNDQPPGW-HXUWFJFHSA-N 417.554 1.129 0 50 HDAA CN=c1ccc(C(=O)N2CC[C@H]3[C@H](CCCN3C(=O)c3n[nH]c(C)c3Cl)C2)c[nH]1 1875322496 VGXSCEIFQULYOZ-CABCVRRESA-N 416.913 1.997 0 50 HDAA C=CC(=O)N(C)c1ccc(C(=O)N2CCC(NC(=O)N3CCOCC3)CC2)cc1 1875371457 BJKOQPFQVJLCIP-UHFFFAOYSA-N 400.479 1.482 0 50 HDAA NS(=O)(=O)CCCC(=O)N1CC[C@@]2(C1)C(=O)N(CC1CCC1)c1ccccc12 2100556187 HQVDNTLFUZSYCQ-FQEVSTJZSA-N 405.520 1.372 0 50 HDAA O=C(NS(=O)(=O)Cc1ccc(C(F)(F)F)cc1)c1cc2n(c1)CCCNC2=O 2325861888 BPDVUXOHKDHBSR-UHFFFAOYSA-N 415.393 1.900 0 50 HDAA C[C@H](O)[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O 4762684 UEAPJHKMJTZURQ-JCGIZDLHSA-N 400.431 1.474 0 50 HDAA Cc1ccc(CN2CCNC(=O)[C@H]2CC(=O)N2CCN(c3ccccc3O)CC2)cc1 12441207 KWNBEVIXKSOBFX-OAQYLSRUSA-N 422.529 1.740 0 50 HDAA CC(=O)NCCC1CCN(C(=O)C[C@@H]2C(=O)NCCN2Cc2cccc(F)c2)CC1 12576620 GTKYMLBIZYZXKM-HXUWFJFHSA-N 418.513 1.281 0 50 HDAA CN(C)S(=O)(=O)N1CC[C@H]2[C@H](CCCN2C(=O)Cc2ccc(F)c(F)c2F)C1 14982562 GYQIMBXYCATDMX-HIFRSBDPSA-N 419.469 1.766 0 50 HDAA Cc1ccc(OCC(=O)NCCCn2cc(C(=O)N3CCSCC3)nn2)cc1 14994477 YFJKCZYWWFDJFA-UHFFFAOYSA-N 403.508 1.361 0 50 HDAA COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NCCc2ncccc2C)cc1C 15066254 OVHPESKIIRAOFN-FQEVSTJZSA-N 410.518 1.756 0 50 HDAA COc1cc(CNCCCn2cccn2)ccc1OC[C@@H](O)CN1CCSCC1 15068749 IVVMGUDHSZOIQE-IBGZPJMESA-N 420.579 1.860 0 50 HDAA CCN1CCN(C[C@@H](O)COc2ccc(CNCC(C)(C)OC)cc2OC)CC1 20235778 KWYIZZSIHVAVCF-LJQANCHMSA-N 409.571 1.587 0 50 HDAA O=C(NCCN1CCOCC1)c1coc(CN2CCN(Cc3ccccc3)CC2)n1 20598803 IQVRHNLUJNJPNB-UHFFFAOYSA-N 413.522 1.054 0 50 HDAA CN(C)S(=O)(=O)N1CCC[C@@H](C(=O)NCC2(c3ccccc3)CCOCC2)C1 72441862 XFZZMTHBSIWVDI-QGZVFWFLSA-N 409.552 1.369 0 50 HDAA Cc1ccc(CCN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N(C)Cc3ccno3)[C@H]4C2=O)cc1 77287306 DAXCYPBCKRLDGF-SRYPRDQNSA-N 407.470 1.966 0 50 HDAA CCc1nnc(CNC(=O)c2ccc(OC3CCN(C(=O)COC)CC3)cc2)o1 95516698 PEVDUYDPBKITDY-UHFFFAOYSA-N 402.451 1.578 0 50 HDAA CC[C@H](C)[C@@H](CO)NC(=O)CC[C@@H]1N=C(O)N(Cc2ccc3c(c2)OCO3)C1=O 252570453 WTUQBARDQGWPJY-AEGPPILISA-N 405.451 1.344 0 50 HDAA O=C(C[C@H]1N=C(O)N(CCc2c[nH]c3ccccc23)C1=O)NCCc1ccccn1 253535631 AIOZREZIKFWIRW-LJQANCHMSA-N 405.458 1.979 0 50 HDAA O=C1CCCc2c1cc(C(=O)N1CCN3C(=O)OC[C@H]3C1)c(=O)n2-c1ccccc1 426421304 RYMXJLKHJHJDJS-OAHLLOKOSA-N 407.426 1.633 0 50 HDAA CN(CCCO)C1CCN(C(=O)N[C@H]2CCN(c3c(F)cccc3F)C2=O)CC1 447122268 OTOUUHQUSWKOJQ-KRWDZBQOSA-N 410.465 1.558 0 50 HDAA COC(=O)C[C@]1(NC(=O)[C@H](Cc2c[nH]c3cc(F)ccc23)NC(C)=O)CCOC1 464441541 ZGCLJEGNRKQWHY-FXAWDEMLSA-N 405.426 1.193 0 50 HDAA N=c1nn[nH]n1CC(=O)NCC1(c2ccccc2)CCN(Cc2ccccc2)CC1 952967308 AWMGRCQDLTZMNL-UHFFFAOYSA-N 405.506 1.436 0 50 HDAA Nc1nc2c(c(C(=O)N3CCN(c4nnc(C(F)(F)F)s4)CC3)n1)CCCC2 952986849 BIRVPZYOMWRHFJ-UHFFFAOYSA-N 413.429 1.770 0 50 HDAA Oc1cc(N2CCC3(CC2)OCCc2cc(OCCn4cncn4)ccc23)ncn1 1857670989 KTCOHUKVXQGVPR-UHFFFAOYSA-N 408.462 1.921 0 50 HDAA N=c1[nH]cc(C(=O)N[C@H]2CCC[C@@H](CNC(=O)CCn3ccccc3=O)C2)s1 1857675558 DDIPZXSZTQEFQB-KGLIPLIRSA-N 403.508 1.212 0 50 HDAA COC(=O)[C@H]1C[C@H]2CN(C(=O)CNc3cccnc3)CC(=O)N2[C@H]1c1ccccc1 1857740592 LKIWHBDUJCKOMZ-WFXMLNOXSA-N 408.458 1.467 0 50 HDAA Cc1cc(N2CC[C@H](NC(=O)N(C)[C@@H]3CCN(Cc4ccccc4)C3=O)C2)n(C)n1 2325828955 WSAPLYWVOLTSJQ-RBUKOAKNSA-N 410.522 1.750 0 50 HDAA CC(C)[C@H](NC(=O)[C@@H](O)C1(O)CCOCC1)[C@@H](O)c1cccc(C(F)(F)F)c1 2325860662 OWTOPWSOZFHWCO-HRCADAONSA-N 405.413 1.782 0 50 HDAA COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N2CCOCC2)cc1 813121 YIJPINRICXMTEK-UHFFFAOYSA-N 418.515 1.787 0 50 HDAA CC1(C)NC(=O)N(C[C@@H](O)COc2ccc(I)cc2)C1=O 1165665 SYLZYVJEBIIABJ-SNVBAGLBSA-N 404.204 1.361 0 50 HDAA COc1ccc(CCNC(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)cc1 3608363 AIVOULZMLOXVFE-UHFFFAOYSA-N 418.515 1.997 0 50 HDAA NC(=O)C1(N2CCCCC2)CCN([C@@H]2CC(=O)N(c3ccc(F)cc3)C2=O)CC1 4177132 UCQRUUKDYOFXLL-QGZVFWFLSA-N 402.470 1.263 0 50 HDAA O=C1Nc2c(c(=O)[nH]c(=O)n2-c2ccccc2)[C@]1(Nc1ncccn1)C(F)(F)F 4196040 LCPVROGYWQRVQV-MRXNPFEDSA-N 404.308 1.138 0 50 HDAA O=C(CCn1c(=O)[nH]c2ccccc2c1=O)NC1CCN(Cc2ccccc2)CC1 4591404 DJDKKUDJIHZURQ-UHFFFAOYSA-N 406.486 1.861 0 50 HDAA O=C(c1cn(CCNC(=O)C23CC4CC(CC(C4)C2)C3)nn1)N1CCSCC1 12030960 COQPQZMQHLMLJM-UHFFFAOYSA-N 403.552 1.800 0 50 HDAA COC(=O)[C@@H]1CCCCN1C(=O)c1sc2ncnc(N3CCN(C)CC3)c2c1C 12191159 VEWHAUMWYDIWMG-AWEZNQCLSA-N 417.535 1.919 0 50 HDAA O=C1NCCN(CCCc2ccccc2)[C@@H]1CC(=O)N1CCN(c2ccncc2)CC1 12712173 NKCFIJCSZTWVME-JOCHJYFZSA-N 421.545 1.554 0 50 HDAA COCCn1c(CN2CCCN(C=O)CC2)cnc1S(=O)(=O)CC(C)(C)C 20540916 WBDNQKQOPQEUCP-UHFFFAOYSA-N 400.545 1.013 0 50 HDAA COc1ccc2cc([C@H](C)NC(=O)CCn3nnnc3CN3CCOCC3)ccc2c1 20998394 SWOYXAMQLCEIQC-INIZCTEOSA-N 424.505 1.935 0 50 HDAA CC(C)c1nnc2ccc(N3CCC[C@H](C(=O)NCCCN4CCOCC4)C3)nn12 31807898 BSYNTRSSKZPBGA-KRWDZBQOSA-N 415.542 1.303 0 50 HDAA Cc1nn2c(nnc3c(=O)n(CCN4CCOCC4)ccc32)c1-c1ccc(F)cc1 40392073 IUAKKOUKDCXHCN-UHFFFAOYSA-N 408.437 1.886 0 50 HDAA CCOC[C@H](O)CNC(=O)c1coc(CN2CCN(c3ccccc3F)CC2)n1 55042240 MBOITKOVMRCOFG-OAHLLOKOSA-N 406.458 1.263 0 50 HDAA Cc1nc(NCCNS(=O)(=O)c2ccc(F)c(F)c2)cc(N2CCOCC2)n1 67603983 CSVDXWMCNCLDBF-UHFFFAOYSA-N 413.450 1.290 0 50 HDAA Cc1nc(N2CCN(C)CC2)cc(N2CCN(S(=O)(=O)c3cccs3)CC2)n1 67621047 KRWXYZWUSAGSQP-UHFFFAOYSA-N 422.580 1.109 0 50 HDAA CC(C)Oc1ccc2c(NC(=O)CNS(C)(=O)=O)nn(CC(F)(F)F)c2c1 72473192 VZTSMJMJFBBSGH-UHFFFAOYSA-N 408.402 1.874 0 50 HDAA COc1ccc(-c2cn3cc(C(=O)NCCCO)nc3c(=O)n2CC2CC2)c(F)c1 72481511 QGVXVCCOKWUROH-UHFFFAOYSA-N 414.437 1.833 0 50 HDAA COC(=O)c1cn(C2CN(C(=O)CCCOc3ccc(C(C)=O)cc3OC)C2)nn1 170593237 JEQOADOINKWAIA-UHFFFAOYSA-N 416.434 1.518 0 50 HDAA COCc1n[nH]c([C@H](Cc2ccccc2)n2cc(C(=O)OC)c3n[nH]c(=O)c-3c2)n1 263588881 ZKICNPRJTDCKGK-HNNXBMFYSA-N 408.418 1.559 0 50 HDAA C=CC(=O)NCCC(=O)N1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 772779657 KOFZTDGHGDPIIA-UHFFFAOYSA-N 420.318 1.519 0 50 HDAA O=C(O)[C@H]1CCCN(S(=O)(=O)N2CCCN(CCCc3ccccc3)CC2)C1 1506418800 VKTFVPQZNPFSQT-IBGZPJMESA-N 409.552 1.668 0 50 HDAA COc1ccc([C@@H]2[C@@H](CO)OCCN2C(=O)CCCN2CCCC2=O)cc1OC 1529154081 XHDASSBCGGQVLG-WIYYLYMNSA-N 406.479 1.367 0 50 HDAA O=C(N=[S@@]1(=O)CCCN(C(=O)[C@@H]2CCCO2)CC1)c1ccc(Cn2cccn2)o1 2332238600 FCUKXZIOWAWARC-SFNQZPIRSA-N 420.491 1.544 0 50 HDAA COc1ccccc1CN1CCNC(=O)[C@H]1CC(=O)NCc1c(F)cccc1F 12592385 IWALZDVOHCNUJX-GOSISDBHSA-N 403.429 1.980 0 50 HDAA O=C(NCCO)[C@@H]1C[C@H](CN2CCOCC2)CN(Cc2ccc3ccccc3c2)C1 14741540 AYAHZNGZXUNHBM-NFBKMPQASA-N 411.546 1.719 0 50 HDAA COc1cc(CNCCCn2cccn2)ccc1OC[C@H](O)CN1CCC(O)CC1 14975321 XGKUEZDAKQOQAY-HXUWFJFHSA-N 418.538 1.268 0 50 HDAA O=C(NCCCO)c1cn(C2CCN(Cc3cc4c(cc3Cl)OCO4)CC2)nn1 14986929 FNQYFPRUZINQSG-UHFFFAOYSA-N 421.885 1.610 0 50 HDAA O=C(NCCN1CCOCC1)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl 15592698 WYFNUEAZKWKJBS-UHFFFAOYSA-N 415.943 1.577 0 50 HDAA COc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 16790985 QCPVVHOAGHJUTK-RQNDZEIBSA-N 420.512 1.831 0 50 HDAA COc1ccc(OC[C@@H](O)CN2CCC(O)CC2)c(CNCCc2cccnc2)c1 19338338 NBHQNPDLNQQPDZ-NRFANRHFSA-N 415.534 1.619 0 50 HDAA CCS(=O)(=O)N1CCC(C(=O)NCc2ccc(CN3CCCC3=O)cc2)CC1 71754846 OEZHEGQUYMWNBG-UHFFFAOYSA-N 407.536 1.487 0 50 HDAA Cc1ccc(S(=O)(=O)N2CCN(c3ccnc(N4CCOCC4)n3)CC2)cc1C 72117330 ALQOZMSDNHPWKA-UHFFFAOYSA-N 417.535 1.441 0 50 HDAA O=C([C@@H]1[C@@H]2C=C[C@@]3(CN(CCOc4ccccc4)C(=O)[C@H]13)O2)N1CCSCC1 77285545 UVBNGOACABGAKR-NYUBLWNDSA-N 400.500 1.423 0 50 HDAA COCC(=O)N1CCc2nc[nH]c2C12CCN(C(=O)[C@@H](C)n1ccnc1C)CC2 95499111 WVFWXJWLXFDHMG-CQSZACIVSA-N 400.483 1.025 0 50 HDAA COCCN(CCOC)c1nc2c(c(N(CCOC)CCOC)n1)SCC2 225815486 LUNJCEBPRMORFJ-UHFFFAOYSA-N 400.545 1.323 0 50 HDAA CN(C)c1ccnc(NC[C@@H]2CN(CC3CCN(CC4CC4)CC3)C(=O)CO2)n1 299801051 YBSIHWKGFKQUSX-GOSISDBHSA-N 402.543 1.304 0 50 HDAA O=C(CN1CCN(C(=O)N[C@@H]2CCN(c3ccc(Cl)c(F)c3)C2)CC1)NC1CC1 490258805 DAVWFDFKZXJIMF-OAHLLOKOSA-N 423.920 1.664 0 50 HDAA COCCn1cnnc1CNS(=O)(=O)c1ccc(NC(C)=O)c2ccccc12 670449739 WOMORPIXLZXWKZ-UHFFFAOYSA-N 403.464 1.515 0 50 HDAA O=C(COc1ccc2c(c1)OCO2)NCCN1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 888088748 PKDVJOJASCYDMN-CVEARBPZSA-N 411.458 1.191 0 50 HDAA CN1CCc2nc(CNC(=O)C[C@H]3CCCN(c4nc5ncccc5o4)C3)ncc2C1 1857731643 NMOKEEJGPCWNBC-OAHLLOKOSA-N 421.505 1.924 0 50 HDAA O=C([C@@H]1CC(=O)N(c2nc3ccccc3s2)C1)N1C[C@H]2C[C@H](O)[C@H](O)C[C@H]2C1 1857731845 RBPSCSYRXJQCMO-HDNYOTOHSA-N 401.488 1.239 0 50 HDAA COC(=O)c1cc(O)cc(C(=O)N2C[C@@H]3OCCC(=O)N(Cc4ccccc4)[C@H]3C2)c1 1857733456 LKVLFJFUVXWYGI-PMACEKPBSA-N 424.453 1.821 0 50 HDAA Cc1cn(-c2ccccc2F)nc1C(=O)N1CCN(c2nc(C3CC3)nc(=N)[nH]2)CC1 1875279399 AIOAWZXLLLKKLU-UHFFFAOYSA-N 422.468 1.757 0 50 HDAA CNC(=O)N[C@H](C)C(=O)N1C[C@@H](C)[C@@H](n2cc(-c3ccc4c(c3)NCCO4)nn2)C1 2325872680 JENKZCIXZIWLEH-XNJGSVPQSA-N 413.482 1.086 0 50 HDAA O=S(=O)(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(F)cc1 1013314 AEWDANDLPDFMKQ-UHFFFAOYSA-N 400.453 1.647 0 50 HDAA COC(=O)c1ccc(NC(=O)CN2CCC(C(N)=O)(N3CCCCC3)CC2)cc1 4741256 YFQWVOSAJZUHSB-UHFFFAOYSA-N 402.495 1.218 0 50 HDAA COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NCc2nc(C)c(C)s2)c(F)c1 11719542 YTELOBXHIOWQGV-KRWDZBQOSA-N 420.510 1.915 0 50 HDAA COC(=O)CCC(=O)N1CCC([C@H](Cc2ccccc2)N(C)C(=O)CN(C)C)CC1 11840837 YNMHZJJVIQNTQV-FQEVSTJZSA-N 417.550 1.810 0 50 HDAA CC(=O)Nc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2NCCO)cc1 12379694 JQCJHVGTYZTOOE-UHFFFAOYSA-N 401.448 1.793 0 50 HDAA O=C(C[C@H]1C(=O)NCCN1Cc1ccccc1)NCCCN1Cc2ccccc2C1 12437892 NDPPZUKBNUWBNC-QFIPXVFZSA-N 406.530 1.899 0 50 HDAA CN(C)S(=O)(=O)c1ccc2[nH]cc(C3N4CC5(C)CN3CC(C)(C4)C5=O)c2c1 19312979 FYOKJKFCCVPLFB-UHFFFAOYSA-N 402.520 1.643 0 50 HDAA O=C(NCCN1CCOCC1)c1ccc(NC(=O)[C@H]2COc3ccccc3O2)cc1 20000923 KORNLDOGDIDEBC-HXUWFJFHSA-N 411.458 1.527 0 50 HDAA COc1ccc(CCCNC(=O)[C@H]2CCC(=O)N(CCN3CCOCC3)C2)cc1 20200977 GXDXILPLCSOWAE-IBGZPJMESA-N 403.523 1.315 0 50 HDAA CN1CCN(c2cc(N3CCN(C(=O)c4cccc(Cl)c4)CC3)ncn2)CC1 72117502 HHZLGKUYCOFUIB-UHFFFAOYSA-N 400.914 1.844 0 50 HDAA COC(=O)c1ccc(CN2CCN(CCN3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)CC2)cc1 100759606 BQEDZOGNIWVNPJ-XSDIEEQYSA-N 423.513 1.398 0 50 HDAA C[n+]1ccc(-c2csc(SC3=C(C(=O)O)N4C(=O)[C@H](N)[C@@H]4SC3)n2)cc1 139175969 PUUMVEONCSAXQQ-FZMZJTMJSA-O 407.522 1.265 0 50 HDAA CS(=O)(=O)NC[C@@H]1CCC[C@H]1NC(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1 253395370 XUQNFEOUOLJDDW-WCQYABFASA-N 423.944 1.159 0 50 HDAA C[C@H](CNC(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N1Cc1ccccc1)C(=O)O 485955116 JEWWFPWPHMBUQA-KUHUBIRLSA-N 409.442 1.337 0 50 HDAA CCC1(CO)CCN(CC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)OC)CC1 491117778 PDZFPEQKXPABIS-LJQANCHMSA-N 401.507 1.853 0 50 HDAA CC1CCN(S(=O)(=O)N[C@H]2CCC[C@@H](CNC(=O)c3cscn3)C2)CC1 1857680816 VFOJCVILYRWOIJ-CABCVRRESA-N 400.570 1.998 0 50 HDAA CCOC(=O)[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CCN(C(=O)c1csc(=N)[nH]1)C2 1857683523 IFIQRPFEYATULE-STXHMFSFSA-N 422.551 1.452 0 50 HDAA Cn1nccc1C(=O)N1C[C@@H]2CC[C@H](C1)[C@@H]2NC(=O)c1cc(=O)c2ccccc2o1 1857693004 DLCGBZFECNPBFG-IKDJWVMYSA-N 406.442 1.807 0 50 HDAA CN1CCO[C@H](Cn2ccnc2-c2ccc(OCC(=O)N3CCOCC3)cc2)C1 1857701070 OSCYNVPCMMMZCN-IBGZPJMESA-N 400.479 1.118 0 50 HDAA COc1ccc(C(=O)N2CC[C@H](CO)[C@@H](O)C2)cc1Oc1ccc(CN)cc1F 1857723513 JFFXQXNLEFIGQG-WBVHZDCISA-N 404.438 1.901 0 50 HDAA C[C@@]1(c2ccc(C(=O)N3CCN(C(=O)CC4CCCC4)CC3)cc2)NC(=O)NC1=O 1875262485 KGMWHEDDEREHSY-QFIPXVFZSA-N 412.490 1.606 0 50 HDAA Cc1ccc(-n2nnc(C(=O)NC3CN(C(=O)[C@]4(C)CC(C5CC5)=NO4)C3)c2C)cc1 2325826459 BQPNYYJNBJSDTL-QFIPXVFZSA-N 422.489 1.770 0 50 HDAA CC[C@]12COC(=O)N1CCN(C(=O)c1cc3c(s1)C1(CCNCC1)OCC3)C2 2356142754 FZAYRSCMGYPCPN-IBGZPJMESA-N 405.520 1.956 0 50 HDAA O=C(CNC(=O)Cc1ccccc1)NCC(=O)OCC(=O)c1ccc(Cl)cc1 1866373 KRUWEYDXJGSXQS-UHFFFAOYSA-N 402.834 1.541 0 50 HDAA COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)N(C)Cc2nc(C)c[nH]2)c(F)c1 11935562 OEUAFTULJOHGLM-QGZVFWFLSA-N 403.458 1.215 0 50 HDAA CNC(=O)c1ccc2c(c1)CCO[C@H]2CCN1CCN(c2ccc(C(N)=O)cc2)CC1 13587959 PNTVCCRNJOGKGA-QFIPXVFZSA-N 422.529 1.971 0 50 HDAA investigational COC(=O)c1c(OC2CCCC2)cc(=O)n2c1CCN(C(=O)c1cnsn1)CC2 14878939 FUVAUQHFJDWCIU-UHFFFAOYSA-N 418.475 1.506 0 50 HDAA Cc1ccc(NC(=O)CC2CCN(C)CC2)cc1S(=O)(=O)N1CCN(C)CC1 71385097 LVBRBQNUTLEDMA-UHFFFAOYSA-N 408.568 1.602 0 50 HDAA Cc1cn2nc(C(=O)N3CCC(NC(=O)c4ccc(C)c(C)c4)CC3)cc2c(=O)[nH]1 169777030 QGPYHRUUZUZQGL-UHFFFAOYSA-N 407.474 1.982 0 50 HDAA CCOc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H]3C(=O)NCC[C@@H]3C)CC2)cc1 225658443 ADCQNXIQIGFVPO-KSSFIOAISA-N 423.535 1.127 0 50 HDAA COc1cc([C@@H]2c3cc4c(cc3[C@H](O)[C@@H](CO)[C@@H]2CO)OCO4)cc(OC)c1OC 263598120 HNOIIHCYJKCZRK-YJPXFSGGSA-N 418.442 1.837 0 50 HDAA biogenic,in-vitro O=C(NS(=O)(=O)c1cc(Br)cs1)C1C[C@H]2COC[C@@H](C1)C2=O 806099047 AOMZAEOFHJKIED-CBLAIPOGSA-N 408.295 1.557 0 50 HDAA O=C(N[C@@H]1C2CN3CCN(C2)CC1(c1ccccc1)C3)c1nc(O)nc2ccccc12 828400402 BDVWXLCWXHNQDR-BFDGSKQISA-N 415.497 1.633 0 50 HDAA CCN1CC[C@H](N(C)c2ncnc3c2ncn3C[C@H](CO)[C@@H]2CCOC2)C[C@H]1C 888097234 FVIPZBRBHVTKGL-TVFCKZIOSA-N 402.543 1.780 0 50 HDAA CC(C)C(=O)N1CCC(C(=O)Nc2ccc(OCC(=O)N3CCOCC3)cc2)CC1 952980355 GSLSJNKDKCRUND-UHFFFAOYSA-N 417.506 1.757 0 50 HDAA CCOc1ccccc1-c1nnc(NC(=O)CN2CCN(c3ncccn3)CC2)o1 1529112950 VYDSOAZDIDJVNC-UHFFFAOYSA-N 409.450 1.686 0 50 HDAA Cn1cncc1C(=O)N1CCC(N2C[C@@H](COc3ccc(F)cc3)OCC2=O)CC1 1857676175 PJSFHEZQOLJWLV-SFHVURJKSA-N 416.453 1.470 0 50 HDAA CN1CCO[C@H](C(=O)N2CCC3(CCc4c(O)nc(-c5ccccc5)nc43)CC2)C1 1857722975 RZAYHQBQGAHSIG-SFHVURJKSA-N 408.502 1.986 0 50 HDAA CCOCC(=O)N[C@@H]1CN2CCCC[C@@]2(C(=O)NCc2nc3c(s2)CCCC3)C1 1875249381 ONMKOUSCMRYBHP-BTYIYWSLSA-N 420.579 1.788 0 50 HDAA CSc1cccc(NC(=O)C(=O)N2CCN(c3nccn4c(C)nnc34)CC2)c1 1875265107 DUKGNYKEDPLGCJ-UHFFFAOYSA-N 411.491 1.442 0 50 HDAA COc1ccccc1[C@@H](NC(=O)CCCCc1cn(CCCCO)nn1)C(=O)O 1875358427 VSZNPJRMMZGDRA-LJQANCHMSA-N 404.467 1.714 0 50 HDAA C[C@@]1(C(=O)NC[C@H](NC(=O)c2cnn[nH]2)c2ccc3ccccc3c2)CCNC(=O)C1 1875359548 ILDSAPDKKMQCCU-HTAPYJJXSA-N 420.473 1.462 0 50 HDAA O=C(CCC1CCN(C(=O)Cn2cncn2)CC1)N[C@H]1CCN(Cc2ccccc2)C1 11814056 KXRRLYGNNUQSOI-NRFANRHFSA-N 424.549 1.688 0 50 HDAA O=C(Cn1nnnc1CN1CCCCCC1)N[C@H]1CCCN(Cc2ccccc2)C1 12710179 MQWCXZXZLFBHLS-FQEVSTJZSA-N 411.554 1.830 0 50 HDAA CN(CCN1CCOCC1)Cc1ccccc1OC[C@H](O)CN1CCSCC1 20406388 VWOLCJHMZQKSQC-HXUWFJFHSA-N 409.596 1.239 0 50 HDAA Cc1ccc(C)c(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N(C)Cc3cnn(C)c3)[C@@H]4C2=O)c1 77354679 XLBVAYHIJFBGQT-BLRYILKCSA-N 420.513 1.978 0 50 HDAA C[C@@H]1Oc2ccccc2N(CC(=O)NC2CCN([C@H]3CCCC[C@H]3O)CC2)C1=O 242292581 YNLHLKONCYNHNY-VDZJLULYSA-N 401.507 1.685 0 50 HDAA COCc1n[nH]c(-c2ccc(NC(=O)C[C@@H]3NC(=O)c4ccccc4NC3=O)cc2)n1 253400224 DSMUSDZWVXVVGF-INIZCTEOSA-N 420.429 1.697 0 50 HDAA biogenic O=C(CN1CCC[C@@]2(C1)NC(=O)NC2=O)NCc1ccccc1OC1CCCC1 434795025 PPACJCCQVKRPJN-NRFANRHFSA-N 400.479 1.298 0 50 HDAA COC(=O)CNC(=O)c1cc(-c2cccnc2)nc2c1cnn2Cc1cccnc1 474346432 QDFPPUQZWFLIPI-UHFFFAOYSA-N 402.414 1.839 0 50 HDAA Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)N[C@H]1CCc2ccccc2C1 680425902 XNLKFBAOXLMUTQ-KRWDZBQOSA-N 403.504 1.333 0 50 HDAA CS(=O)(=O)N1CCN(c2ccc(NC(=O)Nc3cc(C4CC4)[nH]n3)cn2)CC1 683149278 CPCLOWSFOPIXFY-UHFFFAOYSA-N 405.484 1.408 0 50 HDAA Cc1nc(O)nc(O)c1CC(=O)N1CCC(C(=O)N2CCc3ccccc3C2)CC1 952964328 PIAQBJGAVMWTSA-UHFFFAOYSA-N 410.474 1.562 0 50 HDAA CN1C[C@@H](C(=O)Nc2ccc(OCC(=O)N3CCOCC3)cc2)Oc2ccccc21 952984306 ZPHBBONYZPSKAA-FQEVSTJZSA-N 411.458 1.760 0 50 HDAA CN(Cc1nc2ccc(F)cc2[nH]1)C(=O)C1CCN([C@@H]2CCS(=O)(=O)C2)CC1 1506402735 JBRYMLYHHXQFJH-OAHLLOKOSA-N 408.499 1.560 0 50 HDAA Cc1ncc(C(=O)N2CCC(N3C[C@H](COc4ccc(F)cc4)OCC3=O)CC2)[nH]1 1857676921 ZIYWNXFBILMOAF-GOSISDBHSA-N 416.453 1.768 0 50 HDAA CCN=c1ccnc(N[C@@H]2CN3CCCC[C@]3(C(=O)N[C@H]3CC[C@H](O)CC3)C2)[nH]1 1857688495 MXUIBPWIVLOJFC-NWZZKEMCSA-N 402.543 1.159 0 50 HDAA Cc1cc(CNC(=O)[C@@]23CCCN(Cc4cnn(C)c4C)[C@H]2CN(C)CC3)no1 1857701060 LKFNSAFATYXBDX-PZJWPPBQSA-N 400.527 1.628 0 50 HDAA COC[C@@H](C(=O)N1CCCC[C@H]1c1cn(-c2ccc(C(=O)O)cc2)nn1)N(C)C 1875355499 LMSFDRYXEDHTGF-ROUUACIJSA-N 401.467 1.596 0 50 HDAA C=CC(=O)NC[C@H](NC(=O)c1cn(C)c(=O)n(C)c1=O)c1ccc2ccccc2c1 1875386217 LFYWIYCUERHHEX-SFHVURJKSA-N 406.442 1.011 0 50 HDAA CNC(=O)NC[C@H]1CN(C(=O)c2cc3c(O)nc4ccccc4c3s2)CCO1 2325873091 YYAGVFNFRWKMRH-NSHDSACASA-N 400.460 1.925 0 50 HDAA Cn1nnc([C@H]2CN(CCCN3CCN(c4cccc(Cl)c4)CC3)CCO2)n1 2356145181 FGTWRMDIRHZGND-GOSISDBHSA-N 405.934 1.449 0 50 HDAA O=C(O)/C=C/C(=O)N(Cc1ccc2c(c1)OCO2)[C@H]1CC(=O)N(c2ccccc2)C1=O 842673 LINZWRYGUMIPNB-FDMDGMSGSA-N 422.393 1.717 0 50 HDAA CCN(CC)CCNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(Cl)cc1 4136327 DSZZMEGRVVUHFJ-UHFFFAOYSA-N 418.929 1.889 0 50 HDAA biogenic COC(=O)C1=C(C)N=c2s/c(=C/c3ccc[nH]3)c(=O)n2[C@@H]1c1ccc(OC)cc1 6393933 AOENEKBXQRRCMO-QIPHDZALSA-N 409.467 1.745 0 50 HDAA C[C@@H]1CS(=O)(=O)N(c2cccc(C(=O)NCc3ccc4c(c3)OCO4)c2)C1=O 12002838 PJYLHTKQTVPJKY-GFCCVEGCSA-N 402.428 1.658 0 50 HDAA CN(C)S(=O)(=O)N1CCC(n2nccc2NC(=O)CCc2ccccc2)CC1 12205552 KRJCZZFIWLOGHU-UHFFFAOYSA-N 405.524 1.898 0 50 HDAA Cc1cc(C)n(CCNC(=O)Cn2cc(NC(=O)CCOc3ccccc3)cn2)n1 14997415 VQBLIXLHUZRYOO-UHFFFAOYSA-N 410.478 1.920 0 50 HDAA CC(=O)NCC(=O)N1CCC[C@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 55211741 GAYKIBOTIYKBGK-SFHVURJKSA-N 412.456 1.955 0 50 HDAA CN1CCN(c2cc(N3CCN(C(=O)Nc4ccc(F)cc4F)CC3)ncn2)CC1 72119198 BORMGUDDHPARMG-UHFFFAOYSA-N 417.464 1.861 0 50 HDAA CCN(Cc1noc(C)n1)C(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(Cc4cccnc4)C(=O)[C@@H]13)O2 77323073 ZRUVZHMWPKHMTB-JWVYWZTKSA-N 409.446 1.104 0 50 HDAA COc1cccc(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N3CCc5n[nH]cc5C3)[C@@H]4C2=O)c1 77518936 BBBLVARIVVOJBQ-VAWZGJIGSA-N 420.469 1.285 0 50 HDAA Cc1nc(CCN(C)C(=O)[C@@H]2[C@@H]3C=C[C@@]4(CN(c5ccc(F)cc5)C(=O)[C@H]24)O3)no1 77537553 SSFULABKSIKZJJ-DKXUYOFUSA-N 412.421 1.505 0 50 HDAA CCCc1sc(NC(=O)C[C@@H]2NC(=O)c3ccccc3NC2=O)nc1C(=O)OC 257174741 KFAQNAKKLOCXFF-LBPRGKRZSA-N 416.459 1.962 0 50 HDAA O=C(Cc1ccncc1)NC[C@H]1CN(CC2CCN(CC3CC3)CC2)C(=O)CO1 299789994 AFQUTORKNDNMAA-FQEVSTJZSA-N 400.523 1.090 0 50 HDAA COCCN1C[C@@H](C(=O)N2CCC3(CC2)OCCc2cccc(OC)c23)CCC1=O 1704342837 QTUBKGICOJZTJN-SFHVURJKSA-N 416.518 1.971 0 50 HDAA COC(=O)c1ccnc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)c1 1851532867 BGWUKJNNUDZQCP-HNNXBMFYSA-N 407.423 1.799 0 50 HDAA NC(=O)CN1CCC2(CCc3c(N4CC[C@@H](O)C4)nc(-c4ccccc4)nc32)CC1 1857695055 RSBUZDSHSFQMNI-QGZVFWFLSA-N 407.518 1.480 0 50 HDAA CCc1nnc(NC(=O)[C@H](C)[C@@H](C)NC(=O)N2CCc3c(O)nc(O)nc3C2)s1 2325850967 LZXHJFPVXWEAJZ-RKDXNWHRSA-N 421.483 1.033 0 50 HDAA C[C@H]1[C@H](O)[C@@H](O)[C@H]2CN(C(=O)CCc3ccccc3F)C[C@@H]2[C@H]1C(=O)NC1CC1 2356155489 FSGYUFXTVJBLBU-KGHGUGOLSA-N 404.482 1.099 0 50 HDAA O=C(Cc1ccc(-n2cnnn2)cc1)N1CCc2nc(-c3ccccc3)nn2CC1 2356164393 RCIFHCNXCQVPOW-UHFFFAOYSA-N 400.446 1.548 0 50 HDAA O=C(O)c1ccc(S(=O)(=O)c2ccc3c(c2)C(=O)N(C[C@@H]2CCCO2)C3=O)cc1 969160 FXSPDOUCUXSMCG-ZDUSSCGKSA-N 415.423 1.993 0 50 HDAA O=C(NCc1nnc2n1CCN(C(=O)Cc1ccc(Cl)cc1)CC2)[C@@H]1CCOC1 12040650 DMBDHFZDQJHOGH-OAHLLOKOSA-N 417.897 1.212 0 50 HDAA CCN1CCC[C@@H]1CNC(=O)CCC1CCN(C(=O)CCCn2cncn2)CC1 12050795 WEABWPAODKCKRK-LJQANCHMSA-N 404.559 1.678 0 50 HDAA COc1ccc(CN2CCNC(=O)C2)cc1OC[C@@H](O)CN(C)Cc1ccccc1 12714288 SJWMYCXURMHJRA-FQEVSTJZSA-N 413.518 1.499 0 50 HDAA O=C(Cn1cnnn1)N1CC(=O)N(C2CCCCC2)C[C@@H](OCc2ccccc2)C1 14530316 FJICPNLFUNFTKS-IBGZPJMESA-N 412.494 1.262 0 50 HDAA O=C1CN(C(=O)c2cc(=O)c(O)co2)C[C@H](OCC2CC2)CN1Cc1ccccc1 14538675 AXPGKILDMSAKGV-QGZVFWFLSA-N 412.442 1.625 0 50 HDAA CCC(=O)[C@@H]1CCCN(C(=O)C[C@]2(c3ccc(OC)cc3)CC(=O)N(C)C2=O)C1 14880913 UREHKBPCMXZARE-QRQCRPRQSA-N 400.475 1.930 0 50 HDAA CN(Cc1nc(-c2ccccc2)no1)C(=O)C[C@H]1C(=O)NCCN1Cc1cccnc1 55061157 TYCKZICGPKVFDV-SFHVURJKSA-N 420.473 1.481 0 50 HDAA Cc1nc(N2CCN(C(=O)CNC(=O)c3ccccc3)CC2)cc(-n2cccn2)n1 72436961 YHECTVRVHXYKSS-UHFFFAOYSA-N 405.462 1.049 0 50 HDAA COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)C[C@H]1CCCCN1C)CC2 95512546 MRKUPQZYVZDUFN-MRXNPFEDSA-N 403.527 1.133 0 50 HDAA CCOC(=O)[C@@H]1CCCN(CC(=O)c2cc(C)n([C@H]3CCS(=O)(=O)C3)c2C)C1 248318595 OQEPVHYKZBRQFG-SJORKVTESA-N 410.536 1.922 0 50 HDAA CCOC(=O)c1cc(S(=O)(=O)N2CCC[C@@H](c3n[nH]cc3C(=N)O)C2)cn1C 328604423 JRQMFLZDXAQJPQ-LLVKDONJSA-N 409.468 1.377 0 50 HDAA Cn1nc(-c2nc(-c3cccc([C@]4(C)NC(=O)NC4=O)c3)no2)c2ccccc2c1=O 761934322 QEPSFPZSGPMODA-NRFANRHFSA-N 416.397 1.705 0 50 HDAA COC[C@@H]1CCCN(S(=O)(=O)N(C)Cc2cnn(-c3cccc(OC)c3)c2)C1 1506402003 HWGTZEHOEGKYDF-MRXNPFEDSA-N 408.524 1.916 0 50 HDAA COc1cc(O)cc(C(=O)N2CCO[C@H](CO)[C@H]2c2ccc(OC)c(OC)c2)c1 1529144339 YHCBGBHCQXJTAQ-WOJBJXKFSA-N 403.431 1.993 0 50 HDAA O=C(c1ncc[nH]1)N1CCC(N2C[C@H](COc3ccc(F)cc3)OCC2=O)CC1 1857678777 RESZWFHFXPNMHU-QGZVFWFLSA-N 402.426 1.460 0 50 HDAA O[C@@]1(CN2CCN(c3ccccn3)CC2)CCCN(c2nnnn2-c2ccccc2)C1 1857716085 VTGHGCDEHDUEEQ-JOCHJYFZSA-N 420.521 1.211 0 50 HDAA Cn1ccnc1[C@]1(CNC(=O)c2ccc(OC3CCCCC3)cc2)NC(=O)NC1=O 1875328726 JZZNUVSNPYUHCY-NRFANRHFSA-N 411.462 1.596 0 50 HDAA O=C(Nc1cnc2ccccn2c1=O)[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 2100545490 SCPNDGDPUKDREH-MRXNPFEDSA-N 416.434 1.625 0 50 HDAA O=C(c1cc(O)nc(O)n1)N1CC[C@@H]([C@H]2CCCN2C(=O)c2c[nH]c3nccc-3c2)C1 2332239547 ISDXWLSPAAMYOT-CZUORRHYSA-N 422.445 1.483 0 50 HDAA CC(=O)OC(OC(C)=O)[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3cc(Cl)ccc3C)C(=O)[C@H]12 9355942 CKCPYUOCXXQMIH-OLPIVMHESA-N 419.817 1.914 0 50 HDAA CC(C)CCN1CCNC(=O)[C@@H]1CC(=O)N1CCC(OCc2ccccn2)CC1 12448630 FNNSYHIXJQMDMA-FQEVSTJZSA-N 402.539 1.826 0 50 HDAA COc1ccc(CCN(C)[C@H]2CCCN(C(=O)CN3CCOC3=O)C2)cc1OC 15077930 MGQPMVHOHCHFHT-KRWDZBQOSA-N 405.495 1.621 0 50 HDAA COc1ccc(CCCNC(=O)[C@@H]2CCC(=O)N(CCN3CCOCC3)C2)cc1 20200972 GXDXILPLCSOWAE-LJQANCHMSA-N 403.523 1.315 0 50 HDAA CC(C)CCn1c(N2CCN(Cc3ccccc3)CC2)nc2c1c(=O)n(C)c(=O)n2C 56902969 AKTHIUOSPUZPQC-UHFFFAOYSA-N 424.549 1.802 0 50 HDAA Cc1ccc(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N(C)Cc3nccn3C)[C@H]4C2=O)cc1C 77319217 ICJQRSWUNREKRF-UQWVPHONSA-N 420.513 1.978 0 50 HDAA Cc1cc(F)ccc1N1C[C@]23C=C[C@H](O2)[C@H](C(=O)N2CCN(C(C)C)CC2)[C@@H]3C1=O 77343919 LSWXUZOQJOSWKP-GJPOJAMWSA-N 413.493 1.973 0 50 HDAA CCS(=O)(=O)N1CCc2ccc(S(=O)(=O)N3CCC[C@H]3COC)cc2C1 107117383 SSOUEPUSGPNDFB-INIZCTEOSA-N 402.538 1.194 0 50 HDAA COC(=O)c1ccc(NS(=O)(=O)NC(=O)c2ccccc2Cn2cncn2)cc1 225526045 RVCRJMLAMSELEE-UHFFFAOYSA-N 415.431 1.200 0 50 HDAA COc1ccc(Br)c(S(=O)(=O)N2CCC[C@@H]([C@H](O)C(=O)O)C2)c1 225617374 HZDHPUJCQDNXNI-RNCFNFMXSA-N 408.270 1.304 0 50 HDAA O=C([C@H]1CC[C@H](Cn2cnnn2)CC1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 238924121 RCTVNDUYUILEII-SAABIXHNSA-N 412.494 1.553 0 50 HDAA O=C(C[C@H]1N=C(O)N(Cc2ccccc2)C1=O)N1CCN(C(=O)c2ccco2)CC1 252572610 ZMQQFVDARNKBBS-MRXNPFEDSA-N 410.430 1.279 0 50 HDAA Cc1cn2nc(N3CCC[C@@H](c4n[nH]cc4C(=O)N4CCOCC4)C3)sc2n1 328605094 MHZLFZAZTORPKH-CYBMUJFWSA-N 401.496 1.679 0 50 HDAA COc1cccc(CN2CCC[C@@]3(CCN(C(=O)C4(CO)CC4)C3)C2=O)c1OC 426477672 DMLMCHXMEBIHSH-NRFANRHFSA-N 402.491 1.817 0 50 HDAA Cc1nn(C)c(C)c1[C@@H](C)NC(=O)NCc1cc2n(n1)CCN(C(=O)C(C)C)C2 534586390 FAJSACHAGDKWRG-CYBMUJFWSA-N 401.515 1.792 0 50 HDAA CC(C)(C)OC(=O)N1CC[C@@H](CCNC(=O)Cc2ccc(S(N)(=O)=O)s2)C1 730247427 IVNGHNNYAVYKNQ-GFCCVEGCSA-N 417.553 1.701 0 50 HDAA COc1cc2c(cc1OC)CN(C1CCN(C(=O)CCS(C)(=O)=O)CC1)CC2 824619487 QOLUXSZOFMBASG-UHFFFAOYSA-N 410.536 1.488 0 50 HDAA Cc1ccc(NC(=O)[C@@H]2CC(=O)N(Cc3cccnc3)C2)cc1NC(=O)CN(C)C 952973609 HHGARVVVABGITL-QGZVFWFLSA-N 409.490 1.877 0 50 HDAA COc1cc2c(cc1OC)C1(CCN(C(=O)CCNS(C)(=O)=O)CC1)OCC2 1704338450 AVJGYKZKILUDTC-UHFFFAOYSA-N 412.508 1.034 0 50 HDAA CN(C)C[C@@]12CN(C(=O)CCc3ccsc3)C[C@@H]1CN(C(=O)Cn1cccn1)C2 1772708817 CIYRIEITFDDROE-NQIIRXRSSA-N 415.563 1.426 0 50 HDAA Cc1nc(C(=O)N[C@]2(C)CCOC3(CCN(CCn4ccnc4)CC3)[C@H]2O)cs1 1772709818 MQLJSRHSFYHLOS-RBUKOAKNSA-N 419.551 1.453 0 50 HDAA CCCCS(=O)(=O)N1C[C@@H]2COC[C@]2(C(=O)NCCCOc2cccnc2)C1 1857691641 TZNJXRLKDRQFAO-VQIMIIECSA-N 411.524 1.045 0 50 HDAA COCC(=O)NCC[C@H]1COCCN1Cc1cc(F)ccc1-n1nc(C)cc1C 1857709822 SWYAGYXFFWJNFD-IBGZPJMESA-N 404.486 1.982 0 50 HDAA CN(CCc1ncon1)C(=O)[C@@H]1CC(=O)N(c2nnc(Cc3ccccc3)s2)C1 1857735889 VHIVCXPAFZWMSL-CQSZACIVSA-N 412.475 1.566 0 50 HDAA CCOC(=O)C1CCN(c2ncnc3c2ncn3C[C@H](CO)[C@@H]2CCOC2)CC1 1875269261 PRDMNGRMYFZGAU-HZPDHXFCSA-N 403.483 1.251 0 50 HDAA O=C(CCc1nc(-c2ccc(F)cc2)no1)N1CCC[C@H](n2cc(CO)nn2)C1 2325729491 GSLNJWBZEVWVRV-INIZCTEOSA-N 400.414 1.756 0 50 HDAA O=C(N=c1ccn(C2CCSCC2)[nH]1)NCCS(=O)(=O)NC1CCCCC1 2325852487 HWERLQLPMKEYQS-UHFFFAOYSA-N 415.585 1.747 0 50 HDAA C[C@@H]1C[C@H](C(=O)N[C@@H](Cc2cc(I)ccc2F)C(=O)O)CO1 2325877287 NVYBCMZQKPPRGT-DVYJOKAKSA-N 421.206 1.967 0 50 HDAA Cc1ccccc1OC[C@H](O)Cn1c(SC(C)C)nc2c1c(=O)[nH]c(=O)n2C 633289 NVQSEQBVUMYANE-CYBMUJFWSA-N 404.492 1.672 0 50 HDAA COC(=O)c1ccc(NC(=O)CSC2=NC(=O)[C@@H](c3ccccc3)C(=O)N2)cc1 1185625 AUMZQXRUTRBASE-UHFFFAOYSA-N 411.439 1.941 0 50 HDAA COc1ccc(F)c(CN2CCC[C@@](O)(CN3CCC4(CC3)OCCO4)C2=O)c1 12574587 VSJHQLATYBZOIH-HXUWFJFHSA-N 408.470 1.527 0 50 HDAA O=C(C[C@H]1C(=O)NCCN1CCc1ccccc1)NCCCn1ncc2ccccc21 15073427 YVVUYCCOAJMIHS-QFIPXVFZSA-N 419.529 1.976 0 50 HDAA CSCC[C@@H](NC(=O)CCN1C(=O)c2nccnc2C1=O)c1nc2ccccc2[nH]1 223230788 QBTDNRGYKQMKKK-CQSZACIVSA-N 424.486 1.950 0 50 HDAA O=C(NC1CCN(Cc2nnn3c2CO[C@H](c2ccccc2)C3)CC1)c1cnccn1 263617734 PJTUXITWKBESBQ-NRFANRHFSA-N 419.489 1.734 0 50 HDAA Cc1noc(C)c1CC(=O)NC[C@H]1CN(CC2CCN(CC3CC3)CC2)C(=O)CO1 299775780 JMXMBRSMNYAERL-IBGZPJMESA-N 418.538 1.300 0 50 HDAA CCCS(=O)(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCCC[C@H]2CN)cc1F 497355534 YEPOPTXBSHXYQE-SWLSCSKDSA-N 407.533 1.773 0 50 HDAA O=C1C[C@H](C(=O)N2CCC3(CC2)Nc2ccccc2NC3=O)CN1Cc1ccncc1 952987516 FBQRCDMJFAADGZ-KRWDZBQOSA-N 419.485 1.856 0 50 HDAA CC[C@@]12C[C@H]3C[C@@](O)(C1)C[C@@](C(=O)N1CCC4(CC1)C(=O)N(C)C(=O)N4C)(C3)C2 1506399724 CRYAKRLYZSQCSQ-CGRMTHRGSA-N 403.523 1.983 0 50 HDAA CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCc1cc(=O)n(C)c(=O)n1C 1875365367 GJXBAWVCGJVWPO-MRXNPFEDSA-N 420.897 1.198 0 50 HDAA COc1ccc(F)cc1C(=O)N[C@H]1C[C@H](C(=O)NCCc2ccccn2)C[C@@H]1O 2100482715 SQWMZPBOOFVWTA-KKXDTOCCSA-N 401.438 1.458 0 50 HDAA Cn1cncc1S(=O)(=O)NC(=O)C1CCN(c2nc3ccccc3s2)CC1 2325824015 MBFKRXIQCBREGY-UHFFFAOYSA-N 405.505 1.751 0 50 HDAA Cn1c(=O)c2c(nc(N3CCCCCC3)n2CCSc2ncccn2)n(C)c1=O 808477 PTZRJKHLRNCYSE-UHFFFAOYSA-N 415.523 1.396 0 50 HDAA COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NCCCOC(C)C)cc1OC 11879884 KPWRAMKBXUBTBT-QGZVFWFLSA-N 407.511 1.326 0 50 HDAA COC(=O)c1cc(C)nc2c1c(=O)n(CC(=O)Nc1cc(F)ccc1F)c(=O)n2C 12445462 STEKPMSHPZKDAZ-UHFFFAOYSA-N 418.356 1.107 0 50 HDAA Cc1ccc(Cn2c(SCCN3CCOCC3)nc3c2c(=O)[nH]c(=O)n3C)cc1 19892662 WXUAVGRKUBTRIY-UHFFFAOYSA-N 415.519 1.204 0 50 HDAA CCOc1nc2ccccc2nc1N1CCC[C@H](C(=O)N2CCC(C(N)=O)CC2)C1 35373562 XKXQIUZNDCJHLC-INIZCTEOSA-N 411.506 1.969 0 50 HDAA Cc1nccn1-c1cc(N2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)ncn1 67601820 LOWPVZLSSVJFQF-UHFFFAOYSA-N 420.445 1.760 0 50 HDAA O=S(=O)(c1cc(F)ccc1F)N1CCN(c2cc(-n3ccnc3)ncn2)CC1 67604457 YTZNGUQLHKJTQF-UHFFFAOYSA-N 406.418 1.451 0 50 HDAA CN(CCCn1cccn1)C(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(c4ccc(F)cc4)C(=O)[C@@H]13)O2 77422292 DOEXFNVXCJVUFY-VWNVYAMZSA-N 410.449 1.857 0 50 HDAA Cn1cnc(S(=O)(=O)N[C@H]2CC(C)(C)Cc3nc(N4CCOCC4)ncc32)c1 91493188 LJZHOSSFAXHZHD-HNNXBMFYSA-N 406.512 1.039 0 50 HDAA COc1cccc(NC(=O)Cn2c(=O)c(-c3noc(C)n3)c3n(c2=O)CCCC3)c1 169763884 FELCCYGPFNEAOO-UHFFFAOYSA-N 411.418 1.352 0 50 HDAA COCCOc1ccc(NC(=O)C(=O)Nc2ccc(N3CCOCC3)nc2)cc1 170602970 CMBHBCCWYWUYSW-UHFFFAOYSA-N 400.435 1.521 0 50 HDAA CCC(=O)NCc1cc2n(n1)CCN(C(=O)[C@@H](C)Sc1nc(C)cc(O)n1)C2 426412701 HNFWCTRXZYFJAB-GFCCVEGCSA-N 404.496 1.236 0 50 HDAA O=C(OCC(=O)N1CCN(c2cnccn2)CC1)c1cccc(Oc2cnccn2)c1 783744533 LKGGGRFRXKMLPC-UHFFFAOYSA-N 420.429 1.565 0 50 HDAA C[C@H]1CN(C(=O)CC[C@@]2(C3CC3)NC(=O)NC2=O)CCN1c1cc(F)cc(F)c1 1536219788 CMLVKUWQFZQPPS-YUNKPMOVSA-N 406.433 1.770 0 50 HDAA CO[C@@H]1CC[C@H](C(=O)N2CCOc3ccccc3C2)C[C@H]1NC(=O)c1[nH]nnc1C 1857691706 XLWOGJYBAVOSOX-YXJHDRRASA-N 413.478 1.448 0 50 HDAA Cc1cc(O)nc2ccc(S(=O)(=O)N3CCN4[C@@H](C5CC5)COC[C@H]4C3)cc12 1857712291 OBYJVCIOFGWGAD-DNVCBOLYSA-N 403.504 1.733 0 50 HDAA COC(=O)c1cncc(C(=O)N2CC[C@H](O)[C@@](CO)(Cc3ccc(F)cc3)C2)c1 1857720130 GCGFXJFWWCUJKE-RXVVDRJESA-N 402.422 1.436 0 50 HDAA Cc1nc[nH]c1-c1nccn1[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)CCc1ccncc1 1875244993 FMCDPMQBEZTYQD-HZPDHXFCSA-N 414.491 1.064 0 50 HDAA O=C(c1nc(=NCc2ccco2)[nH]cc1Br)N1CCC[C@@H]1c1nn[nH]n1 1875340129 NETXNXIITXDXBK-LLVKDONJSA-N 419.243 1.357 0 50 HDAA COC(=O)[C@H](Cc1c[nH]c2cc(F)ccc12)NC(=O)Cn1ccc(=O)c(O)c1C 2325870030 GTFFRIYBJPOPEY-INIZCTEOSA-N 401.394 1.383 0 50 HDAA COc1ccc2c(c1)CCOC21CCN(C(=O)[C@H]2CCc3nn(C)c(=O)n3C2)CC1 2356156357 XXXHYELOCCNGRP-INIZCTEOSA-N 412.490 1.243 0 50 HDAA COc1ccc(C(=O)O[C@@H](C(=O)O)[C@@H](OC(=O)c2ccc(OC)cc2)C(=O)O)cc1 2583392 KWWCVCFQHGKOMI-HZPDHXFCSA-N 418.354 1.624 0 50 HDAA in-vitro CN(Cc1ccccc1)c1nc2c(c(=O)n(C)c(=O)n2C)n1CC(=O)c1ccccc1 4625493 AEDYMRVFHHROPT-UHFFFAOYSA-N 417.469 1.953 0 50 HDAA CN(CCc1cnn(C)c1)C(=O)C[C@@H]1C(=O)NCCN1Cc1ccc(Cl)c(F)c1 15061976 TWOAXGKYVDOFGP-GOSISDBHSA-N 421.904 1.604 0 50 HDAA Cc1ncsc1CCCNC(=O)Cn1nnnc1CN1CCc2ccccc2C1 15065082 RLPMBHQWLZTHBN-UHFFFAOYSA-N 411.535 1.745 0 50 HDAA COc1ccc(OC[C@@H](O)CN2CCC(O)CC2)c(CNCC2CCOCC2)c1 15066208 ROPHNXGGRBUBKV-FQEVSTJZSA-N 408.539 1.408 0 50 HDAA O[C@@H](COc1cccc(CN2CCN(c3ccccn3)CC2)c1)CN1CCOCC1 20453446 QELPPQJTHANHPX-OAQYLSRUSA-N 412.534 1.476 0 50 HDAA O=C1C[C@H](c2ccc(S(=O)(=O)N3CCO[C@H](COc4ccccc4)C3)cc2)CN1 101806185 BMIOAFSJAAKSSD-HKUYNNGSSA-N 416.499 1.759 0 50 HDAA C[C@@H](NC(=O)c1ccc(Oc2ccccc2)cc1)C(=O)N1CCS(=O)(=O)CC1 111016395 VGGJYPYTWYMQPD-OAHLLOKOSA-N 402.472 1.854 0 50 HDAA O=C(CC[C@H]1NC(=O)N(CCc2cccc(F)c2)C1=O)NCCc1nccs1 223242149 HGZGTNRAQQOGAE-OAHLLOKOSA-N 404.467 1.884 0 50 HDAA COc1ccc([C@H]2OCC[C@@H]2NS(=O)(=O)c2c[nH]c(C(=O)N3CCCC3)c2)cn1 225390341 BBOBXVXCYWMGRR-MAUKXSAKSA-N 420.491 1.463 0 50 HDAA C[C@@H]1CCC[C@@H](C)C1NS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 241837551 SKZVOLADBPYCEG-HUUCEWRRSA-N 416.565 1.811 0 50 HDAA CCCCN1CCN([C@@H](C(=O)N[C@H]2CC[C@H](O)CC2)c2ccccc2)C(=O)C1=O 244584334 CXLPBVHFQMVDMT-GUDVDZBRSA-N 401.507 1.618 0 50 HDAA Cc1nn(C(C)C)c(C)c1S(=O)(=O)N1CCC2(CC1)C[C@@](O)(CO)CCO2 1704302411 JWFMLUBVLVUMTR-QGZVFWFLSA-N 401.529 1.138 0 50 HDAA Nc1cccc(C(=O)N2CC[C@H](NC(=O)c3ccn4ccnc4n3)C23CCC3)c1N 1875329939 LTIJHOVNASIJAV-INIZCTEOSA-N 405.462 1.461 0 50 HDAA CCOc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)NCCCO)CC1 4488083 OYVNIKZOLHPWHO-UHFFFAOYSA-N 404.916 1.638 0 50 HDAA Cn1ncc(Cl)c1C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 6727167 DARUHCHGHIENEG-UHFFFAOYSA-N 409.320 1.935 0 50 HDAA Cn1ccnc1SCC(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)cc1 8715436 WYAQPXSGRLAUEL-UHFFFAOYSA-N 409.537 1.233 0 50 HDAA CC(C)(C)c1cc(CNC(=O)[C@H]2CCC(=O)N(CCCN3CCCC3=O)C2)n[nH]1 11663581 DHNGSLOBBMATDG-HNNXBMFYSA-N 403.527 1.575 0 50 HDAA CC(C)S(=O)(=O)NCc1nnc2n1CCN(Cc1cc3ccccc3[nH]1)CC2 11968283 XDPQCIDXQLHXEI-UHFFFAOYSA-N 402.524 1.646 0 50 HDAA COc1ccc(CCN(C)[C@H]2CN(S(=O)(=O)c3ccccc3)C[C@@H]2O)cc1OC 12443414 QORMGZKGCMPERE-OALUTQOASA-N 420.531 1.612 0 50 HDAA CCOc1ccccc1CN1CCNC(=O)[C@@H]1CC(=O)N(C)Cc1nccs1 12586996 FMUSDTVHVHVSJQ-INIZCTEOSA-N 402.520 1.891 0 50 HDAA O=C(N[C@H]1C[C@H]2C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N2C1)c1cccc(Cl)c1 14747285 UTERIJXRBVGFIX-SZMVWBNQSA-N 413.861 1.486 0 50 HDAA COc1ccccc1CN1C[C@@H](C(=O)NCCn2nnc3ccccc32)CCC1=O 15064903 LKGSLNNGKPUNAT-KRWDZBQOSA-N 407.474 1.995 0 50 HDAA Cc1nc(NC(=O)C[C@H]2NC(=O)N(Cc3ccc4c(c3)OCO4)C2=O)sc1C 206251818 HWNMFYOTQOJZKA-GFCCVEGCSA-N 402.432 1.938 0 50 HDAA CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC[C@H]1CN(CC(C)C)CCO1 229500281 AEPMRHYULFQQRU-RXVVDRJESA-N 400.523 1.688 0 50 HDAA CCOC(=O)c1cc(NC(=O)[C@@H]2[C@H](C(=O)O)[C@H]3C=C[C@H]2O3)cc(C(=O)OCC)c1 239203457 SKHFQSMLRAGBOO-LVQVYYBASA-N 403.387 1.633 0 50 HDAA O=C(NC[C@H]1CN(C2CCN(C3CCC3)CC2)C(=O)CO1)c1ccc(F)c(F)c1 299778762 QOVQKJABTNPBRT-KRWDZBQOSA-N 407.461 1.939 0 50 HDAA Cc1ccc(C)n1CCN1CCN(C(=O)C[C@@H]2NC(=O)c3ccccc3NC2=O)CC1 409414722 VKRXGQMZQCAZLZ-FQEVSTJZSA-N 423.517 1.390 0 50 HDAA CN1C[C@H](NC(=O)CN2CCOc3ccccc3C2)c2sccc2S1(=O)=O 952970838 BHBZRKKVNQTCFO-AWEZNQCLSA-N 407.517 1.434 0 50 HDAA Cc1noc(CCCC(=O)N2[C@H]3CCC[C@H]2CN(C(=O)C[C@@H]2CCCC(=O)N2)C3)n1 2325827073 URVFYGUWYLIUEV-ULQDDVLXSA-N 417.510 1.351 0 50 HDAA CCC1CCN(C(=O)COc2cccc3c2CN([C@@H]2CCC(=O)NC2=O)C3=O)CC1 2325897430 WWZHAFBTTPDRNF-QGZVFWFLSA-N 413.474 1.475 0 50 HDAA N=c1nc2c(c[nH]1)CC[C@@]21CCCN(C(=O)CCS(=O)(=O)c2ccccc2)C1 2356136924 BQWJEBPEFMJOAN-HXUWFJFHSA-N 400.504 1.560 0 50 HDAA CC(=O)SC[C@H](C)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O 3871460 FHHHOYXPRDYHEZ-RRQGHBQHSA-N 406.504 1.705 0 50 HDAA biogenic Cc1nc2ccccc2n1Cc1cc(C(=O)N2CCN(c3cnccn3)CC2)n[nH]1 11664677 KQGJMNHHSIDZFG-UHFFFAOYSA-N 402.462 1.869 0 50 HDAA CN1CCC(N2CCC(Oc3cccc(C(=O)NC[C@@H]4COCCO4)c3)CC2)CC1 12715967 GCUVDHRCTGHXPW-JOCHJYFZSA-N 417.550 1.769 0 50 HDAA O=C(N[C@H]1C[C@H]2C(=O)N[C@H](Cc3ccc(O)cc3)C(=O)N2C1)c1cccc(Cl)c1 14535145 UTERIJXRBVGFIX-JQHSSLGASA-N 413.861 1.486 0 50 HDAA O=C1N[C@H](Cc2ccc(O)cc2)C(=O)N2C[C@@H](NCc3ccc(F)cc3F)C[C@@H]12 14752554 IZQFEHQPIGIAET-IPELMVKDSA-N 401.413 1.471 0 50 HDAA Cc1ccc2c(c1)/C(=c1/sc3n(c1=O)CN(c1ccc(F)cc1)CN=3)C(=O)N2C 16214232 LJRGQEQPICEFOA-ZCXUNETKSA-N 408.458 1.588 0 50 HDAA CCOC(=O)CN(C)Cc1ccc(OC)c(OC[C@H](O)CN2CCCN(C)CC2)c1 20541578 FENLIYWRHUCVMO-LJQANCHMSA-N 423.554 1.067 0 50 HDAA O=S1(=O)CC[C@@H](N2CCN(Cc3c[nH]nc3-c3ccc4c(c3)OCO4)CC2)C1 20907858 POEQTRQNHRQTLQ-MRXNPFEDSA-N 404.492 1.110 0 50 HDAA COc1cccc(CN2CC3(CCN(C(=O)C[C@H]4CNCCO4)CC3)CC2=O)c1 95524158 FMUADUWERPMIAV-IBGZPJMESA-N 401.507 1.415 0 50 HDAA COC(=O)[C@]12[C@@H]3[C@H]4[C@H]5[C@H]1C[C@]1(CCC(=O)O1)[C@H]5[C@@]2(C(=O)OC)[C@H]4C[C@]31CCC(=O)O1 247849841 QWXPUVQBRLVSEZ-DETBLCBRSA-N 416.426 1.002 0 50 HDAA COc1ccc([C@H](NC(=O)CCN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c2nccn2C)cc1 248140024 PXLZHKDNCWIAIV-GGPKGHCWSA-N 422.485 1.976 0 50 HDAA O=c1c2c(CO)c(-c3cccc(F)c3)nn2ccn1Cc1nc(-c2cnccn2)no1 263619606 ZNOGECSVIZVFEJ-UHFFFAOYSA-N 419.376 1.683 0 50 HDAA Cc1noc(C)c1NC(=O)c1ccc(S(=O)(=O)N2C[C@@H]3C[C@H]4C[C@H]3[C@@H]2[C@H]4O)cc1 408521380 RAXGFPZTPPBLJE-LBCSOOOPSA-N 417.487 1.934 0 50 HDAA O=C1CCc2cc(F)c(NC(=O)N3CCC[C@H](N4CCCS4(=O)=O)C3)cc2N1 433268685 GAZWLGGGCOKRMQ-ZDUSSCGKSA-N 410.471 1.742 0 50 HDAA CN(C)S(=O)(=O)CCCN1CCCN(C(=O)COc2cccc(F)c2)CC1 1772704517 RRVHDHPPBLAQCK-UHFFFAOYSA-N 401.504 1.020 0 50 HDAA Cc1cc(=O)c(O)c(C2(CC(=O)NC[C@H]3CCS(=O)(=O)C3)CCSCC2)o1 1776111516 CLPNTIDYZZPNAK-CYBMUJFWSA-N 415.533 1.360 0 50 HDAA CN(C)c1nc(N(C)CCO)c2c(n1)C1(CC2)CCN(C[C@@H]2CCCOC2)CC1 1857686529 AFYTYWYIWDIGAV-KRWDZBQOSA-N 403.571 1.678 0 50 HDAA CS(=O)(=O)N[C@@H]1CN2CCCC[C@]2(C(=O)N2CCC(c3ccncc3)CC2)C1 1857688457 KRCOESDAMBWVOZ-AZUAARDMSA-N 406.552 1.334 0 50 HDAA CCOCc1nnc(N2C[C@H](C(=O)N(C)CCc3scnc3C)CC2=O)s1 1857698144 FNSQOBNCJINBBL-GFCCVEGCSA-N 409.537 1.894 0 50 HDAA CCCO[C@@H]1C[C@@H](C(=O)NCCn2cccn2)CC[C@H]1NC(=O)c1cccn1C 1875249907 JEDPVNHANNKWKR-YQVWRLOYSA-N 401.511 1.732 0 50 HDAA Cn1c(CNC(=O)CN(C(=O)c2ccccc2)c2ccccc2)cc(=O)n(C)c1=O 1875364389 RQWZHUVCEJFMJS-UHFFFAOYSA-N 406.442 1.047 0 50 HDAA COCc1nnc(N2C[C@@H](C(=O)N3CC4(COc5ccccc5C4)C3)CC2=O)s1 2100555348 RWSIMTJAGMNWER-AWEZNQCLSA-N 414.487 1.501 0 50 HDAA CN(C)CCN(C[C@@H]1CCCN(Cc2ccccc2F)C1)C(=O)C1(C(N)=O)CC1 12073006 YCGJXKHJNYVKTH-QGZVFWFLSA-N 404.530 1.693 0 50 HDAA CC[C@H](C)C(=O)NCc1nnc2n1CCN(C(=O)c1c(OC)cccc1OC)CC2 14959192 UKWADDRNEGJICO-AWEZNQCLSA-N 415.494 1.656 0 50 HDAA O=C(NCCCN1CCOCC1)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 20590494 JWYWXEODPOUJGK-QGZVFWFLSA-N 415.943 1.332 0 50 HDAA CS(=O)(=O)N1CCC(Oc2ccc(C(=O)NCc3ccncn3)cc2Cl)CC1 39508487 XJJDBEOJDBLTFY-UHFFFAOYSA-N 424.910 1.863 0 50 HDAA CCn1cnnc1CN(C)C(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(c4ccc(F)cc4)C(=O)[C@@H]13)O2 77378802 HDQNCZUECGZUHE-JWVYWZTKSA-N 411.437 1.382 0 50 HDAA CN(C)CC(=O)N1CCC(N2CCC[C@@H](C(=O)NCCc3ccccc3)C2)CC1 82120271 MOCUYHLCXYCBSW-HXUWFJFHSA-N 400.567 1.610 0 50 HDAA O=S(=O)(NCc1ccon1)c1ccc(S(=O)(=O)Nc2nccs2)cc1 170598633 FASKNSQPPMZMEY-UHFFFAOYSA-N 400.463 1.410 0 50 HDAA Cc1cc(O)cc(=O)n1CCCC(=O)Nc1ccc2c(c1)C(=O)N1CCC[C@@H]1C(=O)N2 206246511 CQQHMIZTVIJBJU-GOSISDBHSA-N 424.457 1.838 0 50 HDAA COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)[C@H]2CS[C@]3(C)CCC(=O)N23)c1C 248304004 LNEXJLVIWGGFKY-AVCJSFLBSA-N 408.476 1.987 0 50 HDAA COc1ccc(NC(=O)CC[C@H]2NC(=O)c3ccccc3N=C2O)cc1-c1nnn[nH]1 252570379 WPDCJQMPLMEDSK-OAHLLOKOSA-N 421.417 1.994 0 50 HDAA CCN1CCC[C@H]1CNC(=O)CC[C@H]1N=C(O)N(CCc2ccc(OC)cc2)C1=O 253535037 FDYKSRFLVHUALH-PKOBYXMFSA-N 416.522 1.743 0 50 HDAA COc1ccccc1-c1ccnc(C2CCN(C(=O)C[C@@H]3NC(=O)NC3=O)CC2)n1 952894579 RWIPXMPDCZSAQH-INIZCTEOSA-N 409.446 1.456 0 50 HDAA COCc1nnc(N2C[C@H](C(=O)NCc3cc(OC)ccc3OC)CC2=O)s1 1857716593 BTFYONSYJZAFGV-GFCCVEGCSA-N 406.464 1.371 0 50 HDAA O=C([C@H](O)CN[C@@H]1CCOC1)N1CCN(C2c3ccccc3-c3ccccc32)CC1 1875308451 GVPUMDVQXABSOK-VGOFRKELSA-N 407.514 1.640 0 50 HDAA CC(=O)N1C[C@H]2CN(C(=O)C(=O)Nc3cn(CC(F)(F)F)nc3C3CC3)C[C@H]2C1 1875330742 YZFGCGJHINNTIQ-BETUJISGSA-N 413.400 1.198 0 50 HDAA Cc1ccn([C@H](C)C(=O)N2CCC[C@@H]2Cn2cc(-c3cnc(C(=O)O)nc3)nn2)n1 1875355107 AIPTWAKQGKNXIP-UKRRQHHQSA-N 410.438 1.190 0 50 HDAA COc1cccc(NC(=O)NCc2ccc3c(c2)C(=O)N([C@@H]2CCC(=O)NC2=O)C3)c1 2325886762 ICTWDYQLQJUYEI-GOSISDBHSA-N 422.441 1.778 0 50 HDAA COc1ccc(/C=C/C(=O)NC(=S)Nc2ccc(S(N)(=O)=O)cc2)cc1OC 2377709 VHVKRBOBLSFEMU-ONNFQVAWSA-N 421.500 1.878 0 50 HDAA CC(C)CN1C[C@@H](OCc2ccccc2F)CN(C(=O)[C@@H]2CCC(=O)N2)CC1=O 14740357 XFFMGWKXCIZZFP-AEFFLSMTSA-N 405.470 1.316 0 50 HDAA C/C(=C\c1ccco1)CN1CCc2nnc(CNC(=O)[C@H]3CCCN(C)C3)n2CC1 14973617 ZKVUYDUPUQGMSV-KJCUYJGMSA-N 412.538 1.791 0 50 HDAA CSCCCNC(=O)c1ccc(OC2CCN(S(=O)(=O)N(C)C)CC2)cc1 20869538 RHUQSSXBZCEWBR-UHFFFAOYSA-N 415.581 1.819 0 50 HDAA O=C(C[C@H]1C(=O)NCCN1Cc1ccc(Cl)c(F)c1)NCCc1ccccn1 55569050 DVOPGWMNBYTITB-SFHVURJKSA-N 404.873 1.924 0 50 HDAA CCCNS(=O)(=O)c1ccc(C(=O)N2CCO[C@H](CO)[C@H]2c2ccccc2)cc1 1529161351 FRFDWFWIZCGNON-WOJBJXKFSA-N 418.515 1.950 0 50 HDAA O=C1CO[C@H](COc2ccc(F)cc2)CN1C1CCN(c2cc(O)ncn2)CC1 1857674037 YLNSGBDLRRRDQT-KRWDZBQOSA-N 402.426 1.597 0 50 HDAA O=C(c1cn[nH]c1)N1CC(=O)N2[C@H](c3ccccc3)[C@H](C(=O)N3CCCC3)C[C@@H]2C1 1857682858 PGJQSAHFQSDFEU-QWFCFKBJSA-N 407.474 1.446 0 50 HDAA CS(=O)(=O)CCN1CCC2(CC1)CC(=O)N(C/C=C/c1ccccc1)CCO2 1857688672 WACNNJPUSMUMBK-VMPITWQZSA-N 406.548 1.828 0 50 HDAA CS(=O)(=O)N1CC(=O)N2[C@H](c3ccccc3)[C@H](C(=O)N3CCCCC3)C[C@@H]2C1 1857703685 WILFGQDCEUSNNH-ZHALLVOQSA-N 405.520 1.233 0 50 HDAA COC(=O)[C@H]1C[C@H]2CN(Cc3cnn4cccnc34)CC(=O)N2[C@H]1c1ccccc1 1857715125 CLKXXNRJULMCHM-BJLQDIEVSA-N 405.458 1.676 0 50 HDAA Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1[C@H]1NC(=O)N([C@@H]2CCNC2=O)C1=O 1875334726 BBDGHQPUEUEJHP-UKRRQHHQSA-N 421.379 1.989 0 50 HDAA COc1ccc(F)cc1C(=O)N[C@H]1CN(C(=O)C[C@@H]2CCNC2=O)CC2(CC2)C1 1875335269 ZJGYHAUSKIUSNK-DZGCQCFKSA-N 403.454 1.471 0 50 HDAA Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NCc4ccccc4)cc3)nc2n(C)c1=O 2444925 LODJPJPNNYOSSZ-UHFFFAOYSA-N 419.441 1.323 0 50 HDAA O=C(CN1CCc2ccccc2C1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 4593481 YWWFUCIEWANZLM-UHFFFAOYSA-N 415.515 1.704 0 50 HDAA biogenic,in-vitro COCC(=O)N1CCC(Oc2ccc(C(=O)N[C@H](C(=O)OC)C(C)C)cc2)CC1 11998308 IDWBYJJWTVJMDE-IBGZPJMESA-N 406.479 1.630 0 50 HDAA CCOC(=O)N1CCN(C(=O)CN2Cc3cc(OC)ccc3O[C@@H](CC)C2)CC1 12278988 IAMREJDGGLVOGM-KRWDZBQOSA-N 405.495 1.969 0 50 HDAA O=C(Cn1cnnn1)N(CC1CCN(Cc2ccccc2F)CC1)C[C@@H]1CCCO1 14963678 LNHIWAQWQFHSJF-IBGZPJMESA-N 416.501 1.732 0 50 HDAA COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)N2CCN(C(C)C)CC2)cc1C 20201422 FXZPBILBGNHMGM-LJQANCHMSA-N 402.539 1.247 0 50 HDAA CN(C[C@@H]1Cc2ccccc2O1)C(=O)Cn1nnnc1CN1CCc2ccccc2C1 20600525 QCZCKBORBAISGD-FQEVSTJZSA-N 418.501 1.694 0 50 HDAA CC(C)(CNCc1c(C(=O)N2CCOCC2)nc2ccccn12)N1CCOCC1 20776420 QGEMUJGHXJAEOG-UHFFFAOYSA-N 401.511 1.007 0 50 HDAA CN(C)S(=O)(=O)c1ccc(N2C[C@H](C(=O)NCc3ccncc3)CC2=O)cc1 36358753 MUXVHKIVVMNWRS-OAHLLOKOSA-N 402.476 1.001 0 50 HDAA COc1ccccc1NC(=O)N1CCN(c2cc(C)nc(N3CCOCC3)n2)CC1 64800185 MSPDTMODRSIDFX-UHFFFAOYSA-N 412.494 1.984 0 50 HDAA CCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccccc2C(=O)N2CCOCC2)C1 72434117 BFMFIUFFWXDZBD-OAHLLOKOSA-N 409.508 1.159 0 50 HDAA CN(Cc1ncc[nH]1)C(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(CCOc4ccccc4)C(=O)[C@H]13)O2 77485735 SRYSSPAQARYIHB-ZBPHCFQXSA-N 408.458 1.229 0 50 HDAA O=C(C[C@@H]1NC(=O)c2ccccc2NC1=O)Nc1n[nH]c(CCc2ccccc2)n1 206235257 BSCMIOXMGPZMHY-INIZCTEOSA-N 404.430 1.669 0 50 HDAA CCCCN1CCn2nc(CNC(=O)c3cn(C[C@@H]4CCCNC4)nn3)cc2C1 426369239 NQTILLBKYGBJEO-MRXNPFEDSA-N 400.531 1.020 0 50 HDAA C[C@@]1(C(N)=O)CCN(C(=O)Cc2sc(N3CCOCC3)nc2-c2ccccc2)C1 685842256 YEDSQZNPQZQCEU-OAQYLSRUSA-N 414.531 1.913 0 50 HDAA Cc1ccc([C@H](NC(=S)NCC(N)=O)c2cccc(S(C)(=O)=O)c2)c(C)c1 741871673 MYHURPXPEGLCEV-GOSISDBHSA-N 405.545 1.746 0 50 HDAA Cc1ccc(C(=O)N2CCC(C(=O)NCCN3CCC[C@@H](C(N)=O)C3)CC2)cc1 827758125 LIFLNQHLPNSURT-LJQANCHMSA-N 400.523 1.161 0 50 HDAA CN(C)C(=O)CN1CCCN(S(=O)(=O)c2ccc3c4c(cccc24)C(=O)N3)CC1 952979598 DOTAKPZCMTYWRT-UHFFFAOYSA-N 416.503 1.190 0 50 HDAA Cc1cc(C(=O)N2C[C@@H]3CN(Cc4nccs4)C[C@@]3(CO)C2)c2c(C)noc2n1 1772808344 NOHMHZKLUKGBDD-XOBRGWDASA-N 413.503 1.863 0 50 HDAA Cc1nonc1CNC(=O)[C@@]12CCCN(C(=O)c3cccs3)[C@H]1CN(C)CC2 1775976639 BVHSBYZDXXADJV-QFBILLFUSA-N 403.508 1.682 0 50 HDAA CCc1cc(C(=O)NC[C@@H]2CN(CC3CCN(CC4CC4)CC3)C(=O)CO2)on1 1857673789 YIDUODZNRKXOIN-GOSISDBHSA-N 404.511 1.316 0 50 HDAA COC(=O)[C@@H]1C[C@@H]1c1cn(C[C@]2(O)CCN(C(=O)CCc3cccc(C)c3)C2)nn1 1875338443 YGTZEBXMRVWJAM-SVMVAKDDSA-N 412.490 1.459 0 50 HDAA Cc1c(C(=O)NC2CN(C(=O)COC[C@@H]3CCCOC3)C2)cnn1[C@H](C)C(C)C 2325827474 HKOAESQTWZBRMO-NVXWUHKLSA-N 406.527 1.792 0 50 HDAA O=C(COc1ccccc1)NCC(=O)N1Cc2[nH]c3ccccc3c2C[C@@H]1C(=O)O 2325851895 LXKSQMSIGWSIAZ-LJQANCHMSA-N 407.426 1.701 0 50 HDAA COc1ccc(-n2nc(C(=O)NCC(=O)N3CCCC3)c3ccccc3c2=O)cc1 3660345 VNXJRGUXYBTMIL-UHFFFAOYSA-N 406.442 1.747 0 50 HDAA O=C(NCc1ccccn1)C1CCN(C(=O)[C@H]2CC(=O)N(c3ccccc3)C2)CC1 11091924 ANEWEOXQMZUWMW-SFHVURJKSA-N 406.486 1.990 0 50 HDAA CCc1cccc(NC(=O)N[C@H]2C[C@H]3C(=O)N[C@@H](Cc4ccc(O)cc4)C(=O)N3C2)c1 14731560 JUNPIXMSKMQJPR-IHPCNDPISA-N 422.485 1.787 0 50 HDAA Cc1nonc1CN(C)Cc1cnc(S(=O)(=O)C[C@@H]2CCCO2)n1CC(C)C 20325856 KWAAYDNPWFWAFH-INIZCTEOSA-N 411.528 1.815 0 50 HDAA CN(Cc1cnn(C)c1)C(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(Cc4ccc(F)cc4)C(=O)[C@H]13)O2 77354085 BISNPYJVKGWVTE-OZIGNCPNSA-N 410.449 1.500 0 50 HDAA COc1cccc(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N3CCSCC3)[C@@H]4C2=O)c1 77458569 JIXMHDUQGQXGAA-UGNRZPKXSA-N 400.500 1.553 0 50 HDAA C[C@H](OC(=O)[C@H](C)N1C(=O)[C@@H]2CCCC[C@H]2C1=O)C(=O)Nc1ccc2c(c1)OCO2 248289904 KIGKJVYRVNSOBI-DDHJSBNISA-N 416.430 1.849 0 50 HDAA O=C(CC[C@@H]1NC(=O)N(c2cc(F)c(F)c(F)c2)C1=O)NCCNc1ncccn1 263587179 DBYVHCHIEIUWOD-ZDUSSCGKSA-N 422.367 1.327 0 50 HDAA CC[C@@H]1CN(c2ncnc3c2ncn3C[C@H](O)[C@@H]2CCCO2)C[C@@]2(CCOC2)O1 888097840 QKVUQFDHARKMSD-NARAOEGZSA-N 403.483 1.141 0 50 HDAA CC(C)Cc1noc([C@@H]2CCCN(C(=O)CN3CCN(c4ncccn4)CC3)C2)n1 952991290 NCAJKZUTJJHHGF-QGZVFWFLSA-N 413.526 1.586 0 50 HDAA COc1ccc(S(N)(=O)=O)cc1C(=O)N(Cc1ccccn1)C[C@@H]1CCCO1 1506419948 NQJHXGYDZYISJP-HNNXBMFYSA-N 405.476 1.559 0 50 HDAA CC(C)CCN1C[C@@H]2CN(S(=O)(=O)c3ccc4c(c3)oc(=O)n4C)C[C@@]2(CO)C1 1772806020 XETPKCFSWPXCME-FOIQADDNSA-N 423.535 1.092 0 50 HDAA CN(C)C[C@@]12CN(C(=O)C3CCC3)C[C@H]1CN(S(=O)(=O)Cc1ccc(F)cc1)C2 1772816612 XACNZWWYDAWSGU-RXVVDRJESA-N 423.554 1.778 0 50 HDAA CN1CCN(C(=O)[C@]23COC[C@H]2CN(C(=O)Cc2c(F)cccc2Cl)C3)CC1 1857694975 NQQQOYGXMRCDRT-JLTOFOAXSA-N 409.889 1.271 0 50 HDAA Cc1cc(C[C@@H]2CN(C(=O)c3ccc4nnc(-c5cccn5C)n4c3)C[C@@H]2O)n[nH]1 1857739401 RNEZAKZNUXVQCO-QAPCUYQASA-N 405.462 1.442 0 50 HDAA C[C@H]1N(C(=O)CCc2cnccn2)CCC[C@@]12CCCN(CC(=O)N(C)C)C2=O 1940193504 GVZXHYIDWJHTTH-IERDGZPVSA-N 401.511 1.117 0 50 HDAA O=C(CN1CCCCCC1=O)NC1(CNC(=O)c2cnc3sccn23)CCC1 2325823272 LXSKYNJKRLWOIC-UHFFFAOYSA-N 403.508 1.567 0 50 HDAA CCn1cc(C(=O)N2CCC[C@H](CNS(=O)(=O)c3ccc(OC)cc3)C2)cn1 11840462 FXVABRRITXZPTI-OAHLLOKOSA-N 406.508 1.742 0 50 HDAA COCCOC1CCN(C(=O)C[C@@H]2C(=O)NCCN2Cc2ccc(F)cc2)CC1 11873370 BQJGXNMKAXOEKB-LJQANCHMSA-N 407.486 1.170 0 50 HDAA Cn1nc(C(=O)NC2CCCC2)c2c1CCN(C(=O)Cn1nc3ccccc3n1)C2 14541455 UZVPLJQYSULIQB-UHFFFAOYSA-N 407.478 1.422 0 50 HDAA Cc1nn(C)cc1CN1CCc2c(c(C(=O)N[C@@H](C)c3ccccc3)nn2CCO)C1 14749648 AYFVVWGYSCHIKG-INIZCTEOSA-N 422.533 1.967 0 50 HDAA Cc1cc(N2CCN(C(=O)C[C@@H]3C(=O)NCCN3Cc3cccnc3)CC2)cc(C)n1 15064751 CTYGAMGULONEOT-OAQYLSRUSA-N 422.533 1.133 0 50 HDAA CC(=O)c1ccc(N2CCN(C(=O)C[C@@H]3C(=O)NCCN3Cc3ccoc3)CC2)cc1 15074800 FKGFUBCCQLCTBT-OAQYLSRUSA-N 424.501 1.522 0 50 HDAA CN1c2cc(C(=O)N3CCOCC3)ccc2OC[C@H]1CC(=O)NCc1ccno1 67742007 GWMUWBNIDYVWBD-OAHLLOKOSA-N 400.435 1.051 0 50 HDAA CCc1nnc(CN(CC)C(=O)[C@H]2[C@@H]3C=C[C@@]4(CN(CC(C)(C)C)C(=O)[C@@H]24)O3)o1 77457578 FEHASUDYWIEPAF-XTGKAWNFSA-N 402.495 1.809 0 50 HDAA COc1ccc(CN(C)Cc2ccco2)cc1OC[C@H](O)CN1CCN(C)CC1 95511373 PUSHVXZXOUGPRR-LJQANCHMSA-N 403.523 1.907 0 50 HDAA Cc1ccnc(NS(=O)(=O)c2ccc(N3C(=O)[C@@H]4[C@@H](C3=O)[C@H]3C=C[C@H]4C3)cc2)n1 100567672 CFMQYYTZBXTMBB-PYTWLRIVSA-N 410.455 1.897 0 50 HDAA Cn1c(=O)[nH]c(=O)c2c1nc(Oc1ccccc1)n2C[C@H](O)COc1ccccc1 170624343 LSPHOOOTDHBVCU-AWEZNQCLSA-N 408.414 1.656 0 50 HDAA COc1ccc(CCN2C(=O)[C@@H](CCC(=O)N[C@H](CO)C(C)C)N=C2O)cc1OC 252539482 OCCXBAKJTUOTNQ-HZPDHXFCSA-N 421.494 1.284 0 50 HDAA O=C(c1c(F)cccc1F)N1CCC[C@@H](n2ncc(N3CC[C@H](O)C3)cc2=O)C1 328608160 YIZYOUJWVCLICX-HIFRSBDPSA-N 404.417 1.570 0 50 HDAA Cn1nc(C(F)F)cc1C(=O)N[C@@H]1C2CN3CCN(C2)CC1(c1ccccc1)C3 670453457 ONIIYPSTXOAUGB-TUVDCLKLSA-N 401.461 1.655 0 50 HDAA Cc1csc([C@@](O)(CC(=O)N2CCN(C3CCOCC3)CC2)C(F)(F)F)n1 747432980 XDIPIHASBKUGHK-INIZCTEOSA-N 407.458 1.915 0 50 HDAA O=C(COc1ccccc1CN1C[C@@H](O)[C@H](Cc2cnccn2)C1)N1CCCCC1 1529118293 JGFYPMUMGVTVNZ-TZIWHRDSSA-N 410.518 1.903 0 50 HDAA COc1cnc(N2CCC(N3C[C@H](COc4ccc(F)cc4)OCC3=O)CC2)nc1 1857684524 RIPKCZQBEGKUPZ-LJQANCHMSA-N 416.453 1.900 0 50 HDAA COc1cc(CN)ccc1Oc1ccc(C(=O)N2CC[C@H](O)[C@H](O)C2)cc1OC 1857685494 VZFSXGYVXMKVQR-JKSUJKDBSA-N 402.447 1.523 0 50 HDAA NC1(C(=O)N2CCC[C@]3(CCc4c(O)nc(N5CCOCC5)nc43)C2)CCCC1 1857701222 HWKPDNZPBZQVBR-FQEVSTJZSA-N 401.511 1.097 0 50 HDAA Cc1cccc(NC(=O)NCC(=O)N2CCN(C(=O)c3n[nH]c4ccccc34)CC2)c1 1875252314 NVNOIACRRWAAGR-UHFFFAOYSA-N 420.473 1.977 0 50 HDAA CCn1c(O)nc2cc(C(=O)N[C@@H]3CCN(C(=O)c4ccncc4)C3)ccc2c1=O 2325740698 JMSKTYOGXDGNQD-OAHLLOKOSA-N 407.430 1.162 0 50 HDAA O=C1CC[C@@H](N2Cc3cc(C(=O)NCc4cccc(C(=O)O)c4)ccc3C2=O)C(=O)N1 2325896297 VSZXFENSBXQEEN-QGZVFWFLSA-N 421.409 1.076 0 50 HDAA Cc1ccc(S(=O)(=O)n2cnc(C[C@H](NC(=O)OC(C)(C)C)C(=O)O)c2)cc1 6489919 DCLJSEPKYJSEHW-HNNXBMFYSA-N 409.464 1.949 0 50 HDAA biogenic,in-vitro COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NCc2cccc(F)c2)cc1OC 11661887 UTUVOJCIHJHTLX-SFHVURJKSA-N 415.465 1.850 0 50 HDAA NCCCC[C@@H]1NC(=O)[C@H]2CN(C(=O)c3ccc(-c4ccccc4)cc3)CCN2C1=O 14743074 PBIRPNXQZAQPQV-LEWJYISDSA-N 420.513 1.634 0 50 HDAA O=C(c1c[nH]c(=O)cn1)N1CCc2cc(S(=O)(=O)Nc3cccnc3)ccc2C1 77356352 FVACFUGDFDMYCE-UHFFFAOYSA-N 411.443 1.164 0 50 HDAA Cc1nc(-c2c3n(c(=O)n(CC(=O)Nc4ccc(C)c(C)c4)c2=O)CCCC3)no1 169763891 LKSZNUFPBIRSSG-UHFFFAOYSA-N 409.446 1.960 0 50 HDAA Cc1cccc(CN2CCNC(=O)[C@H]2CC(=O)NC(C)(C)c2nnc(N)s2)c1 426534099 SBPNMJHWSRFOBL-CQSZACIVSA-N 402.524 1.171 0 50 HDAA COc1cc(Cl)c(S(=O)(=O)N2CCC(NS(C)(=O)=O)CC2)cc1Cl 591814615 HMMDSMHKUMVEJO-UHFFFAOYSA-N 417.336 1.704 0 50 HDAA CO[C@H]1COC[C@@H]1NC(=O)Cn1nnnc1C1(NCc2ccccc2)CCCCC1 670457210 GBRYOKWXMMUFLM-ROUUACIJSA-N 414.510 1.152 0 50 HDAA O=C(NC[C@@H]1CCS(=O)(=O)C1)N1[C@H]2CC[C@@H]1[C@@H]1CN(Cc3ccncc3)C[C@@H]12 1857680296 JZCRIZUTQXWDJN-QXCZDIPSSA-N 404.536 1.121 0 50 HDAA CCOC(=O)[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CCN(C(=O)Cn1cccn1)C2 1857682681 YTWPCRZREDIFER-DBXWQHBBSA-N 404.511 1.166 0 50 HDAA CCc1nnc(N2C[C@@H](C(=O)NC3CCN(c4ncccn4)CC3)CC2=O)s1 1857712468 ZOTZQVOVVBRWSW-LBPRGKRZSA-N 401.496 1.029 0 50 HDAA COC(=O)[C@@H]1C[C@@H](O)CN(C(=O)[C@]2(NC(=O)OC(C)(C)C)CCOC(C)(C)C2)C1 1875306222 XSPUHQSQHBCHQP-JZKQVHKSSA-N 414.499 1.221 0 50 HDAA O=C1CC[C@H](N2Cc3cc(C(=O)N[C@H](C(=O)O)c4ccccc4)ccc3C2=O)C(=O)N1 2325895642 FYIGNPCIFWVHLX-WMZOPIPTSA-N 421.409 1.003 0 50 HDAA CCN1C(=O)/C(=C/c2cccn2-c2ccc(S(N)(=O)=O)cc2)N(CC)C1=S 4706783 FGQOENDWTLGTEZ-VBKFSLOCSA-N 404.517 1.935 0 50 HDAA O=C(C[C@@H]1C(=O)NCCN1Cc1ccc(F)c(F)c1)NCCc1ccc(O)cc1 20780984 BEPKIWRFXCYVPF-LJQANCHMSA-N 403.429 1.720 0 50 HDAA O=C1c2ccccc2C(=O)N1CCCc1nn2c(CN3CCOCC3)nnc2s1 40266391 PHWWUXVQJONXOW-UHFFFAOYSA-N 412.475 1.247 0 50 HDAA O=C(NCCCN1CCOCC1)c1ccc2c(c1)[nH]c(=O)n2[C@H]1CC[C@H](O)CC1 244852494 UTKTVSPOZMSCDO-QAQDUYKDSA-N 402.495 1.258 0 50 HDAA NS(=O)(=O)c1ccc(CCNC(=O)c2noc(-c3ccc4c(c3)OCO4)n2)cc1 263618573 UKJKVHJPXWBHDM-UHFFFAOYSA-N 416.415 1.085 0 50 HDAA COc1ccc(OC)c(S(=O)(=O)NC23C[C@H]4C[C@@H](C2)CC(n2ncnn2)(C4)C3)c1 670441467 SMEFFFOOYABQPN-BAUKFBFWSA-N 419.507 1.717 0 50 HDAA O=C(Cc1cccc(F)c1)NC[C@H]1CCCN(C(=O)CCC2=NNC(=O)CC2)C1 827851018 GFELODBFBPZQAU-MRXNPFEDSA-N 402.470 1.769 0 50 HDAA OC[C@H](Cn1cnc2c(N3CCCC[C@@H]3[C@@H]3CCC[C@H]3O)ncnc21)[C@@H]1CCOC1 888098003 WWKPXWDIPQGRTG-ICBNADEASA-N 415.538 1.991 0 50 HDAA C[C@@]1(O)CCOC2(CCN(C(=O)CCC(=O)Nc3ccc4c(c3)CCC4)CC2)[C@H]1O 1704297925 ATOYWAGMPYSCHL-FCHUYYIVSA-N 416.518 1.787 0 50 HDAA Cc1cc(C(=O)N2CCCN(C(=O)[C@@H]3CC(=O)OC34CCCCC4)CC2)nn1C 1772707202 LSTCAVYWPMZEHJ-INIZCTEOSA-N 402.495 1.669 0 50 HDAA CCCCN1C[C@@H]2CN(C(=O)CN(c3cccc(C)c3)S(C)(=O)=O)C[C@@]2(CO)C1 1772816215 LCEIYGNJWVCJBF-WIYYLYMNSA-N 423.579 1.314 0 50 HDAA Nc1cc(N2CCC(N3C[C@H](COc4ccc(F)cc4)OCC3=O)CC2)ncn1 1857710765 OJRHOQGUMDGQCL-QGZVFWFLSA-N 401.442 1.473 0 50 HDAA Cc1cn(C2CCCCC2)[nH]c1=NC(=O)N=c1ccn(CCN2CCNC2=O)[nH]1 1875353502 VJEUKZHYRZGTLI-UHFFFAOYSA-N 400.487 1.406 0 50 HDAA C[C@H](c1nc(=N)[nH]c(=Nc2ccccc2)[nH]1)N1CCC(C[C@@H]2CC(=O)NC2=O)CC1 2325877986 AXJUEJZBLSAQOF-UKRRQHHQSA-N 409.494 1.275 0 50 HDAA COC(=O)c1ccc(NC(=O)CN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1 2838803 VRAJMGAZNPUHKP-UHFFFAOYSA-N 420.443 1.649 0 50 HDAA COc1ccc([C@H](CC(=O)O)NS(=O)(=O)c2ccc3c(c2)NC(=O)CO3)cc1 4520606 ZDAYNBZMJXGVQW-AWEZNQCLSA-N 406.416 1.520 0 50 HDAA COC(=O)C1=C(C(=O)OC)[C@@H]2c3ccccc3C=CN2C(C(=O)OC)=C1C(=O)OC 4532626 KYHISUHKDYOMRA-INIZCTEOSA-N 413.382 1.270 0 50 HDAA biogenic COC(=O)c1ccc(-c2noc(CN3CCC(C(=O)N4CCOCC4)CC3)n2)cc1 12701293 UBFPBOGRQNZZID-UHFFFAOYSA-N 414.462 1.594 0 50 HDAA COc1cc(CNCC2(O)CCCCC2)ccc1OC[C@@H](O)CN1CCOCC1 12709451 CMAZAGUOGOXSCC-IBGZPJMESA-N 408.539 1.552 0 50 HDAA COc1ccc(C(=O)N2CCN(CCN3C(=O)c4ccccc4C3=O)CC2)cc1OC 55391007 AJRRCKCOZSEWLB-UHFFFAOYSA-N 423.469 1.758 0 50 HDAA CC(C)N1CCN(CCCN2CC3(CCN(c4ncccn4)CC3)OC2=O)CC1 77439365 ZOVZZYBYYOSSCB-UHFFFAOYSA-N 402.543 1.684 0 50 HDAA CCCCN1CCN([C@@H](C(=O)N(C)Cc2ccncn2)c2ccccc2)C(=O)C1=O 77485107 SESPKCWIXRBKPS-LJQANCHMSA-N 409.490 1.647 0 50 HDAA COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)c1cc(F)ccc1F)CC2 95529137 ACHFCWJGQVSNJO-UHFFFAOYSA-N 404.417 1.851 0 50 HDAA O=C(CCCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]12)Nc1nn[nH]n1 218261798 DYQFQKSCVWYPRC-QGZVFWFLSA-N 403.402 1.733 0 50 HDAA COc1ccc(CNC(=O)[C@H](C)N2CCC(c3nc(=N)n(C)[nH]3)CC2)cc1OC 225519523 LGCILVWLFXPGFA-ZDUSSCGKSA-N 402.499 1.129 0 50 HDAA O=c1ccnc2sc(Nc3cnc(N4CCOCC4)c(Br)c3)nn12 225580989 GONWCFXRWGNPAS-UHFFFAOYSA-N 409.269 1.889 0 50 HDAA CCc1ccc(CN2CCc3c(C(=O)N4CC[C@@](O)(CO)C4)csc3C2)nc1 426428884 QYOQBFJGJWRUAW-NRFANRHFSA-N 401.532 1.833 0 50 HDAA CC(=O)N1C[C@H](C(=O)N2CCC(N3CCN(C(C)C)CC3)CC2)Oc2ccccc21 761038740 YNYZKSQQHYRXMO-JOCHJYFZSA-N 414.550 1.818 0 50 HDAA O=C(N[C@H]1CCS(=O)(=O)C2(CC(C(=O)N[C@@H]3C[C@H]4CC[C@H]3C4)C2)C1)c1ccon1 952876187 FEXXKRDMWMUWEG-ABUXJIOESA-N 421.519 1.435 0 50 HDAA CC(C)=CC[C@]1(C(=O)NCc2nnc3ccccn23)C[C@H]2CC[C@@H]1N2S(C)(=O)=O 1704325484 MWQHZCWJIUWCKO-GUXCAODWSA-N 417.535 1.885 0 50 HDAA CN1CC[C@]2(C(=O)NCCO)CCCN(C(=O)CCCCc3cccnc3)[C@H]2C1 1772813739 RMFSMJPDASOTMC-SIKLNZKXSA-N 402.539 1.216 0 50 HDAA CCc1ncnc(N2CCC3(CC2)CC(=O)N(CC(=O)N(C)CC)CCO3)c1F 1857689683 JXPZONPRFODUTO-UHFFFAOYSA-N 407.490 1.244 0 50 HDAA O=C(NC[C@H]1CN(C2CC2)CCO1)c1cncnc1N1CC[C@@H](C2CCOCC2)C1 1875360489 BGJVCKWVYQRIBX-MJGOQNOKSA-N 415.538 1.323 0 50 HDAA CNc1ccc(CNC(=O)c2ccc3c(c2)C(=O)N([C@H]2CCC(=O)NC2=O)C3)cc1 2325895511 CALDWIVESBVJQS-SFHVURJKSA-N 406.442 1.419 0 50 HDAA COCC(=O)N1CCC(Oc2ccccc2C(=O)N2CCN(C)C(=O)[C@@H]2C)CC1 11874805 YIZCPWKPRCBHQZ-HNNXBMFYSA-N 403.479 1.006 0 50 HDAA CN1CCCCC[C@H]1C(=O)N1CCC(N2CCC(C(=O)N3CCOCC3)CC2)CC1 12581087 SUOLMFLLBNKZKC-NRFANRHFSA-N 420.598 1.423 0 50 HDAA O=C(O)c1cc(-n2ccc(-c3cnccn3)n2)cc(S(=O)(=O)N2CCOCC2)c1 71750275 SHPYMJJSOPAYDD-UHFFFAOYSA-N 415.431 1.048 0 50 HDAA O=C(NCc1cccnc1)[C@H]1CCCN(C2CCN(C(=O)c3cccnn3)CC2)C1 71751210 ISQRIFOEQVZOGX-SFHVURJKSA-N 408.506 1.505 0 50 HDAA CN(Cc1ccno1)C(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(c4ccc(CCO)cc4)C(=O)[C@H]13)O2 77539820 YQDWEEKKNSPTMR-WEMPKCCASA-N 409.442 1.154 0 50 HDAA Cc1cc(C)n(C2CN(Cc3cccc(OC[C@H](O)CN4CCOCC4)c3)C2)n1 95508012 SKPGIKLNUCRIHC-OAQYLSRUSA-N 400.523 1.629 0 50 HDAA CC(C)n1cc2c(n1)[C@H](NC(=O)Cc1ccc(S(=O)(=O)CCO)cc1)CCC2 1342046051 JDRIZTXCDPILQP-GOSISDBHSA-N 405.520 1.966 0 50 HDAA CSc1cccc(NC(=O)N2C[C@H]3CN(Cc4cnc(N)nc4)C[C@]3(CO)C2)c1 1772804783 UNHHJVATLFRHGB-FOIQADDNSA-N 414.535 1.739 0 50 HDAA CC(C)c1ccc([C@H](C)NC(=O)CN(C)CC(=O)N[C@H]2CCS(=O)(=O)C2)cc1 1875253134 RLHNARMYFCHBKN-YJBOKZPZSA-N 409.552 1.222 0 50 HDAA COc1cc2nc(N3CCO[C@@H](c4nc(C(=O)O)cs4)C3)[nH]c(=N)c2cc1OC 1875341385 QVJOKCXYBKYWLQ-CQSZACIVSA-N 417.447 1.792 0 50 HDAA CNC(=O)c1ccc(S(=O)(=O)NCCN2CCN(Cc3ccccc3)CC2)cc1 26955542 RDKHHPVNQWOBBD-UHFFFAOYSA-N 416.547 1.142 0 50 HDAA CCCOc1ccc(N2C(=O)C[C@H](NCCCN3CCC(C(N)=O)CC3)C2=O)cc1 95482843 GSPNRZLNIMOZGS-IBGZPJMESA-N 416.522 1.284 0 50 HDAA COC(=O)c1cnc2c(c1)n(Cc1noc([C@H]3CCCO3)n1)c(=O)n2CC(C)C 95512777 JCHHQOPMAPZCTI-CQSZACIVSA-N 401.423 1.923 0 50 HDAA C[C@@H]1OCC[C@@]1(O)CNC(=O)CSCc1nc2sc3c(c2c(=O)[nH]1)CCCC3 225723811 MOWVUDVGXFPHLU-JEOXALJRSA-N 423.560 1.753 0 50 HDAA COc1ccc(CCNC(=O)[C@@H]2[C@@H]3C(=O)N(Cc4ccco4)C[C@@]34C=C[C@H]2O4)cc1 227128893 OGMHKZMTPVWMHG-AWWSKVOZSA-N 408.454 1.929 0 50 HDAA Cn1cc(CN2CCC(N3C[C@H](COc4ccc(F)cc4)OCC3=O)CC2)cn1 299778711 HGHRLLUTCJXQQN-HXUWFJFHSA-N 402.470 1.830 0 50 HDAA CN1CCN(S(=O)(=O)c2ccccc2CNC(=O)c2cccc(CO)c2)CC1 486396437 QJIXIIQABXOWQU-UHFFFAOYSA-N 403.504 1.045 0 50 HDAA O=C1C[C@@H](C(=O)N2CCN(c3nc4ccccc4o3)CC2)CN1Cc1cccnc1 827695803 DVMLBFVJZYFXFW-QGZVFWFLSA-N 405.458 1.920 0 50 HDAA Cc1nn(-c2ccccc2)c(C)c1[C@@H]1COCCN1C(=O)C1=NN2CCCN=C2N1 952894617 SJADVPFVYNAUDX-KRWDZBQOSA-N 407.478 1.367 0 50 HDAA Cn1cc(-c2ccc(CN3CCC[C@@H](S(=O)(=O)N4CCOCC4)C3)cc2)cn1 1344377474 GZUOVXRVNGJDKQ-HXUWFJFHSA-N 404.536 1.714 0 50 HDAA O=C1C[C@H]2CN(C(=O)Cn3nc(Cc4ccccc4)c4ccccc4c3=O)C[C@H]2N1 1857691023 XVCSUTVHIILDDM-OXJNMPFZSA-N 402.454 1.334 0 50 HDAA COC1(C(=O)N[C@H]2CCc3ccccc32)CCN(S(=O)(=O)c2cn[nH]c2)CC1 1857719540 PFESFCGRPNEPNK-KRWDZBQOSA-N 404.492 1.383 0 50 HDAA Cc1ccccc1-n1nnnc1[C@@H](c1ccccc1)N(C)C(=O)c1nc(=O)n(C)[nH]1 1940195866 SHDOBCHITRKJES-MRXNPFEDSA-N 404.434 1.254 0 50 HDAA CN1C[C@H]2COC[C@@H]1CN(C(=O)CCSc1nnc(-c3ccncc3)n1C)C2 2100556928 KYZOXHNNLMGGPT-ZBFHGGJFSA-N 402.524 1.148 0 50 HDAA CCCN1C(=O)N[C@@H](CC(=O)N2CCC3(CC2)OCCc2cc(OC)ccc23)C1=O 2356144760 KXSCIOGUIXOVNP-SFHVURJKSA-N 415.490 1.806 0 50 HDAA O=C1C[C@@H](c2ccccc2)NCCCN(C(=O)CN2CCOCC2)CCCCN1 2356160601 ZQJXQYYZMJTCRM-FQEVSTJZSA-N 402.539 1.168 0 50 HDAA CCCNC(=O)c1ccccc1NC(=O)CN1C(=O)c2ccccc2S1(=O)=O 2852606 PUZZRMLABVZIEA-UHFFFAOYSA-N 401.444 1.610 0 50 HDAA O=C(N[C@H]1CCS(=O)(=O)C1)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 4276352 FEZPNUQBMVVVFT-HNNXBMFYSA-N 400.522 1.168 0 50 HDAA CCOC(=O)N1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)CC1 5041396 WTOXSXASPBVSBJ-KRWDZBQOSA-N 423.535 1.696 0 50 HDAA O=C1NCCN(Cc2ccccc2)[C@@H]1CC(=O)N1CCC(O)(c2ccccc2)CC1 11844189 OGPWCAKRXFNRIA-OAQYLSRUSA-N 407.514 1.887 0 50 HDAA CCOc1ccc(C(=O)N2CCN(c3nc(C)cc(N4CCOCC4)n3)CC2)cc1 17307337 TXIQMDFJBFRYDD-UHFFFAOYSA-N 411.506 1.983 0 50 HDAA COCCNC(=O)c1cn(C2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)nn1 19221424 VILCQKLBCWNHER-UHFFFAOYSA-N 405.886 1.714 0 50 HDAA COc1ccc(S(=O)(=O)N2CCN(c3cc(N4CCCC4)ncn3)CC2)cc1 38530843 ROJNZFNVHVBYQB-UHFFFAOYSA-N 403.508 1.596 0 50 HDAA O=S(=O)(c1cccc(Cl)c1)N1CCN(c2cc(-n3cccn3)ncn2)CC1 65363654 YZYGJIJBFKDMJC-UHFFFAOYSA-N 404.883 1.827 0 50 HDAA Cc1cccc(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N(C)Cc3cnn(C)c3)[C@H]4C2=O)c1 77487201 APPNFOZONHOVNA-SRYPRDQNSA-N 406.486 1.669 0 50 HDAA Cc1noc([C@@H]2COCCN2CC(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)n1 170594523 XSHPUWIORLFACT-ZDUSSCGKSA-N 416.406 1.386 0 50 HDAA C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(c2cc(N3CCN(C)C(=O)C3)ncn2)C1 170599637 VHRGIXFSXMHQOF-JKSUJKDBSA-N 418.542 1.885 0 50 HDAA O=C(Nc1nc(CN2CCOCC2)cs1)C(=O)N1CCC[C@H]1c1ccncc1 225742676 QXVOBZZQJWGANX-INIZCTEOSA-N 401.492 1.673 0 50 HDAA CC1(C)[C@@H](C(=O)N[C@H](CO)Cc2ccccc2)[C@H]1C(=O)N[C@H](CO)Cc1ccccc1 1772717758 RQVVHSSUGAURAX-MYGLTJDJSA-N 424.541 1.698 0 50 HDAA O=C(NC[C@H]1COc2ccccc2O1)C(=O)N(CCCO)[C@@H]1CCc2ccccc21 1875253350 RMYVSZLWEIQNFF-PKOBYXMFSA-N 410.470 1.841 0 50 HDAA O=C1COc2ncnc(NC[C@H](CO)Cc3cc(F)cc(Br)c3)c2N1 1875341102 GIQHLOUKHDBDIS-SNVBAGLBSA-N 411.231 1.972 0 50 HDAA O=C([C@@H](O)c1ccccc1)N1CCC2(CCc3c(O)nc(N4CCOCC4)nc32)CC1 1940198347 IBXQEKWSJUTXFZ-SFHVURJKSA-N 424.501 1.559 0 50 HDAA O=C1CC[C@@H](N2Cc3c(OCC(=O)Nc4ccccc4F)cccc3C2=O)C(=O)N1 2325897544 ZAMPIDGPLMLMHQ-MRXNPFEDSA-N 411.389 1.604 0 50 HDAA N=c1nc2c(c[nH]1)CC[C@@]21CCCN(C(=O)CCc2nc(-c3ccncc3)no2)C1 2356162325 HPNJDWPRJCIJCI-OAQYLSRUSA-N 405.462 1.773 0 50 HDAA COc1cc(NS(=O)(=O)c2ccc(NC(=O)[C@H]3CCCO3)cc2)nc(OC)n1 1054849 JFQNXINPEZTXLT-CYBMUJFWSA-N 408.436 1.412 0 50 HDAA COCC(=O)N1CCC(Oc2ccc(C(=O)NCCOc3cccnc3)cc2)CC1 11821221 JDLVGKPEMMUKNN-UHFFFAOYSA-N 413.474 1.907 0 50 HDAA COc1ccc(CCNC(=O)C[C@@H]2C(=O)NCCN2Cc2ccccc2)cc1OC 12432733 FDUBCBXPKMMUIC-LJQANCHMSA-N 411.502 1.753 0 50 HDAA COc1ccc(OC[C@H](O)CN2CCC(O)CC2)c(CN2CCC(OC)CC2)c1 12744455 STVBHQAFUHKBDE-LJQANCHMSA-N 408.539 1.502 0 50 HDAA COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N[C@H]2CCS(=O)(=O)C2)cc1 13122978 OLRITIIJKJLRJZ-AMRJIULGSA-N 414.483 1.769 0 50 HDAA COC(=O)CNC(=O)C1CCN(C2CCN(c3nc4ccccc4o3)CC2)CC1 14963856 VKRAXWCMVCWBSD-UHFFFAOYSA-N 400.479 1.798 0 50 HDAA Cc1n[nH]c(CCNC(=O)c2coc(CN3CCN(c4ccccc4F)CC3)n2)n1 19866057 FTQFWFIKZMHIGO-UHFFFAOYSA-N 413.457 1.535 0 50 HDAA O=C(N[C@@H]1CNC[C@H]1O)C1CCN(c2nc(-c3ccccc3)nc3c2CCC3)CC1 67742743 RXKFSBDPJLCISW-WOJBJXKFSA-N 407.518 1.298 0 50 HDAA CN(CCCC(=O)N1CC(NC(=O)C2CCC2)C1)S(=O)(=O)c1ccc(F)cc1 170600896 WSBUEHVZCVQSPL-UHFFFAOYSA-N 411.499 1.354 0 50 HDAA CC[C@@]1(C)NC(=O)N(NC(=O)CN2CCC[C@H]2c2ccc(OC)c(OC)c2)C1=O 252453017 WKPZHOKFOQVEMV-VBKZILBWSA-N 404.467 1.592 0 50 HDAA CC(=O)OC[C@@H]1O[C@H](c2ccccc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 253916604 RSVDHRRPXRATQV-WPVAHCMFSA-N 408.403 1.485 0 50 HDAA COc1ccc(CNC(=O)Cn2ccn3nc(-c4ccccc4)c(CO)c3c2=O)cc1 263616108 HCQYCSUXCMKWAP-UHFFFAOYSA-N 418.453 1.980 0 50 HDAA O=C(Nc1cnc2c(c1)COCC2)[C@@H]1CN(Cc2nc(O)c3ccccc3n2)CCO1 679120564 GVODUTAFMICDPK-IBGZPJMESA-N 421.457 1.643 0 50 HDAA Cc1cc(N2CCN(C(=O)c3nc[nH]c3C(=O)O)CC2)nc(-c2ccccc2O)n1 1506415330 AULZXMAURCQZIM-UHFFFAOYSA-N 408.418 1.541 0 50 HDAA Cc1ncc2c(n1)[C@@]1(CCCN(C(=O)c3cc(S(N)(=O)=O)ccc3C)C1)CC2 1704339855 OWMCBPUGHQBJON-FQEVSTJZSA-N 400.504 1.861 0 50 HDAA O=C(c1ccnc(-n2cnnc2)c1)N1C[C@@H](O)[C@H](Cc2ccc3ccccc3n2)C1 1704353166 SHVSHDCEJATCCZ-YLJYHZDGSA-N 400.442 1.886 0 50 HDAA CCCCN1C[C@@H]2CN(C(=O)c3ccc(N(C)S(C)(=O)=O)cc3)C[C@]2(CO)C1 1772812806 QWLFSNQNCXUMJE-XLIONFOSSA-N 409.552 1.249 0 50 HDAA NC(=O)COCC(=O)N1CCCOc2cccc(c2)CC[C@@H]2CCCCN2CC1 1857705892 ZORFGCDXUNDYLQ-IBGZPJMESA-N 403.523 1.587 0 50 HDAA COc1cccc2c1OCCCN(C[C@@]1(O)CCCN(C(=O)c3cnccn3)C1)C2 1857733422 KCHKPPMRDXAIAG-QFIPXVFZSA-N 412.490 1.737 0 50 HDAA Cc1cc(C(F)(F)F)n2nc(C(=O)N3CC[C@@]45OCCCN4C(=O)C[C@@H]35)cc2n1 1857733839 AZCDCDQQVVBUHV-PXAZEXFGSA-N 409.368 1.620 0 50 HDAA CC(=O)N1CCCNC(=O)c2nn(CCC(C)C)c3c2C[C@@H](CC3)NC(=O)CCC1 2100533902 KPWLSCDSDGCXBD-QGZVFWFLSA-N 417.554 1.665 0 50 HDAA CO[C@@H]1CC[C@H](C(=O)NCc2cc(C)on2)C[C@H]1NC(=O)c1cnc(C)nc1O 2100537805 WXZOKMNDPRANLD-APHBMKBZSA-N 403.439 1.017 0 50 HDAA CCN1C(=O)N(CCN(C)C)C(=O)C12CCN(Cc1ccc(C(=O)OC)cc1)CC2 14741438 QJVMHWFCUUBOSU-UHFFFAOYSA-N 416.522 1.654 0 50 HDAA CN(C)[C@@H]1CCN(S(=O)(=O)c2ccc3c(c2)CN(C(=O)NC(C)(C)C)CC3)C1 77519239 QOUOWROYDGVLCY-QGZVFWFLSA-N 408.568 1.877 0 50 HDAA COCC(=O)N1CCC(Oc2ccc(C(=O)N[C@@H](C)c3nnc(C)o3)cc2)CC1 95499844 WPWAKILEHMMVEZ-ZDUSSCGKSA-N 402.451 1.885 0 50 HDAA COc1cc(C(=O)NCc2nnn[nH]2)ccc1OC1CCN(C2CCCC2)CC1 95516928 DGLUDXGZLLRSBC-UHFFFAOYSA-N 400.483 1.924 0 50 HDAA Cc1ccccc1CN1CCN(C(=O)CC[C@@]2(CCC(=O)O)CCC(=O)N2)CC1 222308486 FAYCHBVHAPWMQI-JOCHJYFZSA-N 401.507 1.933 0 50 HDAA CCC1(CC)CN(C(=O)C(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)CC[S@]1=O 469617858 PYZSLCXQDBMJCA-MUUNZHRXSA-N 405.476 1.001 0 50 HDAA CC(=O)c1c(C)nn(CC(=O)NCCCNS(=O)(=O)c2ccc(C)cc2)c1C 827864203 CTAXHSLSIUUTOQ-UHFFFAOYSA-N 406.508 1.496 0 50 HDAA CS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H](CNC(=O)c3cnccn3)C2)c1 952973435 IXZJALLGDQAHPF-AWEZNQCLSA-N 402.476 1.162 0 50 HDAA O=C(c1cn(-c2ccccc2)nn1)N1C[C@@H]2CN(Cc3ccns3)C[C@]2(CO)C1 1772805401 NLDWHHJRJVQXQB-MGPUTAFESA-N 410.503 1.290 0 50 HDAA CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)NCC(C)(C)C(=O)N2CCCC2)C1=O 1875347397 NOHDCQVYEUZDPR-JOCHJYFZSA-N 414.506 1.609 0 50 HDAA CC1CCN(S(=O)(=O)N2CCN(C(=O)c3cnc(N)c(Cl)c3)CC2)CC1 2325702146 OWAFIPQQSWWYDE-UHFFFAOYSA-N 401.920 1.052 0 50 HDAA CC[C@H]1CCCN1C(=O)C(=O)NCCCCCNC(=O)C(=O)N1CCC[C@H]1CC 2325704066 YAQHFJCFMVHWFS-CALCHBBNSA-N 408.543 1.191 0 50 HDAA COC(=O)[C@H]1CN(C(=O)NCc2c(Br)nnn2C)Cc2ccccc21 2325818987 LAXSWRXEDMSTIB-LBPRGKRZSA-N 408.256 1.560 0 50 HDAA COC(=O)c1nc(N2CCN(c3n[nH]c(Br)n3)CC2)c2sccc2n1 2325863668 RTWJGDDDUDNPCM-UHFFFAOYSA-N 424.284 1.685 0 50 HDAA O=C(c1ccc(Cn2cnnn2)cc1)N1CCc2nc(-c3ccccc3)nn2CC1 2356169290 OPVKFLVDEGMIQR-UHFFFAOYSA-N 400.446 1.678 0 50 HDAA O=C(CN1C(=O)c2ccccc2C1=O)NCC(=O)OCC(=O)c1ccc(Cl)cc1 1864694 WFENNRDMQIZBPP-UHFFFAOYSA-N 414.801 1.478 0 50 HDAA Cn1ccnc1CN1CCN(C(=O)[C@@H]2CCC(=O)N(CCCc3ccccc3)C2)CC1 12317616 KAALOFRBZNRQSZ-OAQYLSRUSA-N 423.561 1.936 0 50 HDAA O=S(=O)(c1ccc(F)cc1)N1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 13119535 DYEGRVQNSOITMY-UHFFFAOYSA-N 420.434 1.799 0 50 HDAA CCOC(=O)c1nn(CCCc2ccccc2)c2c1CN(C(=O)CNC(C)=O)CC2 14742747 DBOIPBIOCDAABG-UHFFFAOYSA-N 412.490 1.713 0 50 HDAA COC(=O)[C@@H]1N[C@H](C(=O)OC)[C@@H](c2ccccc2)S(=O)(=O)[C@@H]1c1ccccc1 25692989 DZZNYSWTPABICD-XMTFNYHQSA-N 403.456 1.570 0 50 HDAA CCn1c(CC2CCN(C(=O)CCc3ccc4c(c3)OCO4)CC2)nn(C)c1=O 67966589 XAJRMWQMQNJWHE-UHFFFAOYSA-N 400.479 1.744 0 50 HDAA Cc1cccc2c(=O)n(CCC(=O)OCCNS(=O)(=O)c3ccccc3)cnc12 142367321 OQNNKDBNROOKNE-UHFFFAOYSA-N 415.471 1.617 0 50 HDAA O=C(COC(=O)c1ccc(CN2CCCC2=O)cc1)Nc1ccc2[nH]c(=O)[nH]c2c1 170067371 LSIKGQKUXUPQQL-UHFFFAOYSA-N 408.414 1.774 0 50 HDAA COCCN(C)C[C@H]1CCCN1S(=O)(=O)c1ccc(CCNC(=O)OC)s1 170606274 WZRFJCCUCDCRHF-CQSZACIVSA-N 419.569 1.378 0 50 HDAA O=C1[C@@H]2CC=CC[C@H]2C(=O)N1CN1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 229740397 JWDCWKOVOGGNBZ-QZTJIDSGSA-N 421.494 1.431 0 50 HDAA CC[C@@H]1CN(C(=O)c2ccc(Cl)c(S(=O)(=O)NC[C@H]3CCCO3)c2)C[C@H]1O 252477603 RFKGGVDREODHHC-XNRPHZJLSA-N 416.927 1.640 0 50 HDAA COCc1nc(-c2cccc(NC(=O)C[C@H]3NC(=O)c4ccccc4NC3=O)c2)n[nH]1 409413154 AXSGIGLGBABYTM-MRXNPFEDSA-N 420.429 1.697 0 50 HDAA O=C(NCCc1cnc[nH]1)[C@H](Cc1ccccc1)n1c(O)nc2ccccc2c1=O 409413674 KBMJHAHKABQLDW-IBGZPJMESA-N 403.442 1.968 0 50 HDAA biogenic CNS(=O)(=O)c1ccc(C(=O)Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)nc2)cn1 472727873 MIDFSEBHMUEDDJ-STQMWFEESA-N 405.480 1.251 0 50 HDAA O=C1N[C@@H]2[C@H](CCCCC(=O)N3CCc4ccccc4[C@H]3C(=O)O)SC[C@@H]2N1 486016971 OBQSYBNMDABKCU-LAQRGFTBSA-N 403.504 1.923 0 50 HDAA CC(=O)N(Cc1ccsc1)[C@H]1CC12CCN(C(=O)C1(n3cnnn3)CC1)CC2 952891806 CJEUIDKNUJLBKL-INIZCTEOSA-N 400.508 1.654 0 50 HDAA Cn1cc(Cl)cc1C(=O)NC[C@@H]1CN(CC2CCN(CC3CC3)CC2)C(=O)CO1 1857672396 BLLWPDYRNVIJOJ-GOSISDBHSA-N 422.957 1.758 0 50 HDAA Cc1nc(CCNC(=O)[C@@]23CC[C@H](N4CCOCC4)C[C@H]2CCNC3)sc1C 1857693590 CYCWSFJGEKGUHH-LVCYWYKZSA-N 406.596 1.899 0 50 HDAA Cc1cc(CN2CC3(CCN(c4nnnn4-c4ccccc4)CC3)OCCC2=O)on1 1857716550 ANCBUDWKGLJKCZ-UHFFFAOYSA-N 423.477 1.747 0 50 HDAA CCCN1C[C@H](C(=O)N2CCCC[C@H](NC(=O)c3cccc(C(N)=O)c3)C2)CC1=O 2325864130 HNLFTQSJRTUCIG-MSOLQXFVSA-N 414.506 1.155 0 50 HDAA CNc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@@H](O)COc1ccc(Cl)cc1Cl 824777 DWTMWIBPJCOSPK-SECBINFHSA-N 414.249 1.212 0 50 HDAA CCOC(=O)[C@@H]1CCCN(S(=O)(=O)c2cc(OCC(N)=O)c(C)cc2Cl)C1 1108606 HLDARMVZLWJPJI-GFCCVEGCSA-N 418.899 1.476 0 50 HDAA Cc1cn2c3c(=O)n(Cc4c(F)cccc4Cl)c(=O)n(C)c3nc2n1CCCO 10233351 JVBKBNGTVMWJML-UHFFFAOYSA-N 419.844 1.681 0 50 HDAA Cn1c(=O)n(C)c2cc(CNC(=O)[C@@H]3CCC(=O)N(Cc4ccccn4)C3)ccc21 12448087 MWBUSPSGMUJAPE-MRXNPFEDSA-N 407.474 1.327 0 50 HDAA CCS(=O)(=O)c1ncc(CN2CCCC[C@@H]2CCn2ccnc2)n1CCOC 19851464 QLUKQWOQTAPTCY-QGZVFWFLSA-N 409.556 1.964 0 50 HDAA Cc1ncc(C)c(N2CCC(N3CCC[C@@H](C(=O)N4CCN(C)CC4)C3)CC2)n1 71576204 QWDFJESMQJFSDE-LJQANCHMSA-N 400.571 1.548 0 50 HDAA O=C(NCc1ccccn1)[C@H]1CCCN(C2CCN(C(=O)C3CCOCC3)CC2)C1 82127263 RKLQUHREELSHMW-IBGZPJMESA-N 414.550 1.827 0 50 HDAA CN1CCN(CCNC(=O)CCS(=O)(=O)C2CCCC2)[C@@H](c2ccccc2)C1 229751098 CWCZLKCCSSCBCH-HXUWFJFHSA-N 407.580 1.839 0 50 HDAA Cc1cn2nnc(C(=O)N3CCC(C(=O)NC[C@@H](C)c4ccccc4)CC3)c2c(O)n1 263618786 VOCHYUSWMDJDJJ-CQSZACIVSA-N 422.489 1.910 0 50 HDAA COCCN1C[C@H](C(=O)Nc2cc3nc(O)[nH]c3cc2N2CCCC2)CCC1=O 1506397157 ZVUSMZLAERAUNJ-CYBMUJFWSA-N 401.467 1.692 0 50 HDAA Cc1ccc(C(=O)N2C[C@H]3COC[C@@H]2CN(CC(C)C)C3)cc1N1CCNC1=O 1704340885 WTXUJEVYJZUJRJ-HKUYNNGSSA-N 400.523 1.953 0 50 HDAA CCOC(C)(C)C(=O)N[C@]1(C)CCOC2(CCN(C(=O)c3ncoc3C)CC2)[C@H]1O 1772702398 VVYLNXNLRIUOGG-FXAWDEMLSA-N 423.510 1.429 0 50 HDAA O=C(CCc1c[nH]c2ccccc12)N1CCO[C@@]2(CCN(C(=O)c3cc[nH]n3)C2)C1 1857690890 SZYBLPVPDQISEH-QFIPXVFZSA-N 407.474 1.967 0 50 HDAA CCN(CC)C(=O)CN1CCC[C@@]2(CCCN(C(=O)Cn3ccnc3)[C@H]2C)C1=O 1940195125 MNUIIKUKHDESMR-UWJYYQICSA-N 403.527 1.371 0 50 HDAA COc1ccn2ncc(C(=O)N3CCN(C(=O)[C@H]4CC(C)(C)CO4)C[C@@H]3C)c2c1 2325829484 KYUBCGPUXNJNGM-KBXCAEBGSA-N 400.479 1.831 0 50 HDAA CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(OCC(=O)N2CCOCC2)cc1 705248 TYBTZGUGMGLPGM-SFHVURJKSA-N 419.503 1.280 0 50 HDAA O=C(N[C@H](Cc1ccccc1)C(=O)O)c1ccc(S(=O)(=O)N2CCCC2)cc1 3866377 RZQWIVSBRCUTMN-GOSISDBHSA-N 402.472 1.897 0 50 HDAA C[C@H]1CCCCN1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1CC(=O)c1ccccc1 6166756 SLZQURUFAZMRIP-HNNXBMFYSA-N 409.490 1.691 0 50 HDAA COc1ccc(-c2cc(C(=O)N(C)C[C@H]3COCCO3)cc(-n3cnnn3)c2)cc1 12470469 YINKMTYNEMLQSK-FQEVSTJZSA-N 409.446 1.825 0 50 HDAA O=C(NCCNc1cc(N2CCOCC2)ncn1)c1cccc(Br)c1 82230700 PQCZINIZKOTZGR-UHFFFAOYSA-N 406.284 1.918 0 50 HDAA CC(=O)c1cccc(C(=O)N2CC[C@H](N3CCN(C)CC3)[C@H](CCC(=O)O)C2)c1 95372289 AJJOZYHIDRJZFO-UXHICEINSA-N 401.507 1.832 0 50 HDAA COc1cccc(CC(=O)N2CC[C@H](N3CCN(C)CC3)[C@H](CCC(=O)O)C2)c1 95385002 STXQLYVOZKCIQM-QUCCMNQESA-N 403.523 1.567 0 50 HDAA CCc1nc(-c2c3n(c(=O)n(CC(=O)NCc4ccc(C)cc4)c2=O)CCCC3)no1 169763940 DJWOIGYHDZUEJD-UHFFFAOYSA-N 423.473 1.584 0 50 HDAA O=C(NCCn1cnc2ccccc2c1=O)[C@@H]1CC(=O)N(c2n[nH]c3ccccc23)C1 169772784 MWBQFELYEJHWMW-CQSZACIVSA-N 416.441 1.442 0 50 HDAA Cc1nc(CN2CCC(N3C[C@@H](COc4ccc(F)cc4)OCC3=O)CC2)n(C)n1 299793580 JRPBQNMZXAQWJV-IBGZPJMESA-N 417.485 1.533 0 50 HDAA Cn1cc(S(=O)(=O)NCC[C@H](c2ccccc2)c2ccco2)c(=O)n(C)c1=O 670434033 CLSJEHIHASAMQM-OAHLLOKOSA-N 403.460 1.178 0 50 HDAA CCCCN1C[C@H]2CN(C(=O)CNS(C)(=O)=O)C[C@]2(CCc2ccccc2)C1 1772815873 AONLTOKADOQWBY-FPOVZHCZSA-N 407.580 1.729 0 50 HDAA Cc1cc(O)ccc1C(=O)NC[C@@H]1CN(CC2CCN(CC3CC3)CC2)C(=O)CO1 1857677593 IXQKNMTXFZEQQW-HXUWFJFHSA-N 415.534 1.780 0 50 HDAA CO[C@@H]1CC[C@H](C(=O)N2CCNC(=O)C2)C[C@H]1NC(=O)Nc1ccc(F)c(F)c1 1857692681 PBYMPCRSAHZIBV-IUIKQTSFSA-N 410.421 1.228 0 50 HDAA O=C(c1cnccn1)N1CC[C@@H]2C[C@H](N3CCOCC3)CC[C@@]2(C(=O)NC2CC2)C1 1857698490 UOYVQZLHDYTIDA-RADWXHQJSA-N 413.522 1.088 0 50 HDAA Cc1ccc(CCC(=O)N2CCC([C@H](O)CN3CCS(=O)(=O)CC3)CC2)cc1 1857731091 KBTIGAKJASDRIQ-HXUWFJFHSA-N 408.564 1.258 0 50 HDAA O=C(O)C[C@@H]1CN(C(=O)Cn2nc(-c3ccccc3)c3ccccc3c2=O)C[C@H]1O 1875250665 VSGKDIFSMQNMDN-CRAIPNDOSA-N 407.426 1.358 0 50 HDAA C=CC(=O)NCc1nc2c(s1)CCN(C(=O)C1=NN(CC(C)C)C(=O)CC1)C2 1875385928 FSBGBBGDHUZVMA-UHFFFAOYSA-N 403.508 1.464 0 50 HDAA C=CC(=O)N1CCC(C(=O)N2CCN(C(=O)Cc3ccccc3Cl)CC2)CC1 2325889327 KLOSESJTXOGFNJ-UHFFFAOYSA-N 403.910 1.978 0 50 HDAA Cc1cc2[nH]cc(C(=O)N3CCC[C@]4(CCc5cnc(N(C)C)nc54)C3)c(=O)n2n1 2356156753 OZUXIOSWHQRNAY-NRFANRHFSA-N 407.478 1.307 0 50 HDAA Cn1c(CC(=O)Nc2ccc(Cl)cc2)nnc1SCC(=O)N1CCOCC1 6704543 UIFSYAIUXKAAFX-UHFFFAOYSA-N 409.899 1.601 0 50 HDAA CSc1nc(O)c(C(c2ccc(O)cc2)c2c(O)nc(SC)[nH]c2=O)c(=O)[nH]1 13153725 KLQKEFSWNKXLKE-UHFFFAOYSA-N 420.472 1.594 0 50 HDAA O=C(C[C@@H]1C(=O)NCCN1C(=O)CN1CCc2ccccc2C1)Nc1ccccc1 13636503 IPYWKQFVUQQCMN-HXUWFJFHSA-N 406.486 1.401 0 50 HDAA CN(C)CCNC(=O)[C@@H]1C[C@H](CN2CCOCC2)CN(CCc2ccccc2)C1 14531826 NBSUWWFCHMSBPN-FGZHOGPDSA-N 402.583 1.177 0 50 HDAA COC(=O)CCN1C[C@H](OCc2ccncc2)CN(C(=O)[C@H]2CC=CCC2)CC1=O 14542849 JCKSGZRGUJHMBY-OALUTQOASA-N 415.490 1.557 0 50 HDAA CC(=O)NCCc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)cc1 20309870 NNESHMRZNDCSKV-UHFFFAOYSA-N 401.532 1.872 0 50 HDAA O=C(CCN1CCOCC1)N1CCC[C@@H](CNS(=O)(=O)Cc2ccccc2)C1 20785797 JOVLXEUKERSFSO-IBGZPJMESA-N 409.552 1.067 0 50 HDAA Cc1cnc(CNC(=O)C[C@@H]2C(=O)NCCN2Cc2ccccc2C(F)(F)F)cn1 55198385 BTXFEWHQFXPNJE-QGZVFWFLSA-N 421.423 1.811 0 50 HDAA Cc1cn2cc(CNC(=O)c3ccc(CN(C)C4CCOCC4)[nH]c3=O)nc2s1 77287861 WJWSQMHMXUGIJT-UHFFFAOYSA-N 415.519 1.933 0 50 HDAA CN(C)[C@H]1CCCN(Cc2ccc(C(=O)NCc3ccc4c(c3)OCO4)c(=O)[nH]2)C1 77387702 VSWGECLGGLCGHV-KRWDZBQOSA-N 412.490 1.560 0 50 HDAA COc1ccccc1COC1CCN(C(=O)c2cc(S(N)(=O)=O)cn2C)CC1 170591455 HIURFMVKHZEEHP-UHFFFAOYSA-N 407.492 1.503 0 50 HDAA CC(C)[C@H](NC(=O)CN(C)[C@H]1CCS(=O)(=O)C1)c1ccc2c(c1)OCCCO2 248153823 HLFGUSPHSSHTRC-JXFKEZNVSA-N 410.536 1.780 0 50 HDAA CCOC(=O)N1CCN(C(=O)c2nnn3c2CO[C@@H](c2ccc(OC)cc2)C3)CC1 263615044 AGOCUCLJNUCDFR-QGZVFWFLSA-N 415.450 1.473 0 50 HDAA Cc1cccc(CNC(=O)C2CCN(C(=O)c3nnn4cc(C)nc(O)c34)CC2)c1 263615379 CBZAQCDAOIZXTR-UHFFFAOYSA-N 408.462 1.615 0 50 HDAA CCN(CCO)C(=O)C[C@]1(c2ccccc2C)CC(=O)N(Cc2ccncc2)C1=O 299759543 UNAYUSGPXCDRDL-HSZRJFAPSA-N 409.486 1.818 0 50 HDAA Cc1noc(C)c1CN1CCc2c(C(=O)N3CCN(CCO)CC3)csc2C1 426435271 CSESHLXETKGVHC-UHFFFAOYSA-N 404.536 1.661 0 50 HDAA NC(=O)[C@H]1CCCN(Cc2cccc(CNC(=O)Nc3cccc4c3CNC4=O)c2)C1 495470067 LNABTPDTTKUHFH-KRWDZBQOSA-N 421.501 1.949 0 50 HDAA Cc1ccc(S(=O)(=O)NCCCNC(=O)c2cc(CC(C)C)nc(N)n2)cc1 670457697 DOUHVFNDZMHCNX-UHFFFAOYSA-N 405.524 1.664 0 50 HDAA O=C1C[C@@H](C(=O)N2CCN(c3ncnc4ccccc34)CC2)CN1Cc1ccccn1 827763088 FYCSKYHDZWEAEH-QGZVFWFLSA-N 416.485 1.722 0 50 HDAA CS(=O)(=O)c1ccc(CC(=O)NC23C[C@@H]4C[C@H](C2)CC(n2ncnn2)(C4)C3)cc1 828003537 KOYSKXYWAMLLKX-BANKROOTSA-N 415.519 1.483 0 50 HDAA CN(C)CC(=O)Nc1ccccc1NC(=O)c1ccc(C(=O)N2CCOCC2)cc1 952986868 GLZFPOOQUZFDAI-UHFFFAOYSA-N 410.474 1.911 0 50 HDAA CCc1nnc(N2C[C@@H](C(=O)NCCc3ccc(OC)c(OC)c3)CC2=O)s1 1857727132 LQCIPXGPLUPMAG-ZDUSSCGKSA-N 404.492 1.830 0 50 HDAA O=C([C@@H]1CCCn2nccc21)N1C[C@H]2CC[C@H]1CN2C(=O)[C@H]1CCCn2nccc21 2325816649 OXNAEFUOJCSNKR-FZDBZEDMSA-N 408.506 1.736 0 50 HDAA O=C(N[C@H]1CCCN(c2ccc(F)c(F)c2)C1=O)N1CCCn2nc(CO)cc2C1 2325828876 UNRUXMVDRLGEIK-SFHVURJKSA-N 419.432 1.765 0 50 HDAA CCOC1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)c2ncc(OC)cc2F)CCOCC1 2325829009 YCJKBHHDHHOVMK-KBPBESRZSA-N 407.442 1.240 0 50 HDAA CCn1c(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)nnc1-c1ccco1 2195126 IUVZWRLKOYSSLF-UHFFFAOYSA-N 407.477 1.936 0 50 HDAA COc1ccc(OC)c(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3cccnc3)C2)c1 4413978 OXXFEMBLAKXUOZ-MRXNPFEDSA-N 419.503 1.816 0 50 HDAA COC(=O)Cn1c(=O)c2c(nc3n([C@@H](C)c4ccccc4)c(C)c(C)n23)n(C)c1=O 8706105 JMNYPDRYVDVCPS-AWEZNQCLSA-N 409.446 1.549 0 50 HDAA Cn1ccnc1SCCNCc1cccc(OC[C@H](O)CN2CCOCC2)c1 19334393 OFKFPQRPDNVRKI-GOSISDBHSA-N 406.552 1.374 0 50 HDAA COc1ccc(OC[C@@H](O)CN2CCC(O)CC2)c(CN(C)Cc2nccs2)c1 55099749 XLBSXDNKCINBAF-SFHVURJKSA-N 421.563 1.980 0 50 HDAA COc1ccc(N([C@H](C)C(=O)NC2CCN(C)CC2)S(C)(=O)=O)cc1Cl 65365037 IXFXCHCGMRYINI-GFCCVEGCSA-N 403.932 1.714 0 50 HDAA Cc1ccc(C)c(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N3CCCN(C)CC3)[C@@H]4C2=O)c1 77393122 FQPJGMRWMSXWPR-JCUDRXCFSA-N 409.530 1.750 0 50 HDAA Cc1nnc(CN(C)C(=O)[C@@H]2[C@@H]3C=C[C@@]4(CN(Cc5ccc(F)cc5)C(=O)[C@H]24)O3)o1 77516030 YOZWEDAFBZEABW-DKXUYOFUSA-N 412.421 1.458 0 50 HDAA Cc1c(CN(C)C(=O)[C@H]2[C@@H]3C=C[C@@]4(CN(Cc5cccnc5)C(=O)[C@H]24)O3)cnn1C 77534893 PXYODKOBJMQCIQ-OZIGNCPNSA-N 407.474 1.064 0 50 HDAA Cc1cc(F)ccc1N1C[C@]23C=C[C@H](O2)[C@H](C(=O)N2C[C@@H]4CC[C@H](C2)[C@@H]4O)[C@@H]3C1=O 102612886 PWIIIRYVNWKZSB-AEGPVEHUSA-N 412.461 1.650 0 50 HDAA COc1ccc(CCN2C(=O)N[C@H](CC(=O)Nc3ccc(C(N)=O)cc3)C2=O)cc1 206253210 POAFMNLGXRRSTC-QGZVFWFLSA-N 410.430 1.286 0 50 HDAA CC[C@@H]1CCCCN1C(=O)[C@@H](C)Sc1nnc([C@H]2CCS(=O)(=O)C2)n1C 248038492 NKLSRZBWRMCQQX-HZSPNIEDSA-N 400.570 1.989 0 50 HDAA COc1cc2c(cc1OC)CN(C(=O)C[C@@H]1NC(=O)N(Cc3ccco3)C1=O)CC2 263586425 UHQPOQAYHRUYJU-INIZCTEOSA-N 413.430 1.692 0 50 HDAA biogenic O=C(COc1ccc(F)cc1F)N1CCC[C@H](n2ncc(N3CCC3)cc2=O)C1 328606506 RVRNAYMAZWILKY-HNNXBMFYSA-N 404.417 1.974 0 50 HDAA COc1cccc(C(=O)N2CCN(C(=O)[C@H]3CC(=O)N(Cc4ccncc4)C3)CC2)c1 824767714 KFBMNEKLUQNGOL-IBGZPJMESA-N 422.485 1.423 0 50 HDAA Cc1sc2nc(CCNS(=O)(=O)c3ccc(C(N)=O)cc3)nc(O)c2c1C 826848841 DXERVBVQMBNEMO-UHFFFAOYSA-N 406.489 1.634 0 50 HDAA O=C(N[C@H]1C2CN3CCN(C2)CC1(c1ccccc1)C3)c1cc2c(nc1O)CCC2 828147121 SCXBHRRWKMMEJG-LBVATQBMSA-N 404.514 1.573 0 50 HDAA CS(=O)(=O)c1ccc(S(=O)(=O)N(Cc2ccccn2)C[C@H]2CCCO2)cc1 952973615 ONYVMRGHPFIGOH-MRXNPFEDSA-N 410.517 1.855 0 50 HDAA O=C1C[C@H](C(=O)N(CCO)Cc2cnn(Cc3ccccc3)c2)[C@@H]2CCCC[C@@H]2N1 1466160745 ZHJBFEMSHCONJE-ACRUOGEOSA-N 410.518 1.947 0 50 HDAA CC(=O)c1c(C)nn(CCC(=O)N2CCC(CNC(=O)[C@@H]3CCCO3)CC2)c1C 1506428445 ZSHOAQMSAXAHDW-SFHVURJKSA-N 404.511 1.626 0 50 HDAA CS(=O)(=O)c1cccc(C(=O)N2C[C@H]3CN(Cc4cccnc4)C[C@]3(CO)C2)c1 1772814688 NRWZLSWZFPVMIM-WIYYLYMNSA-N 415.515 1.052 0 50 HDAA COCCN(C(=O)[C@H](O)CN[C@@H]1CCOC1)[C@H](C)c1cccc(C(F)(F)F)c1 1875308365 CBSHLTBHNRYYGV-KBRIMQKVSA-N 404.429 1.981 0 50 HDAA Cc1ccccc1[C@@H]1[C@@H](C(=O)N2CCC(c3ccn(C)c(=O)c3)CC2)OCC(=O)N1C 2100540446 JEAGEFARQGFRES-PKTZIBPZSA-N 423.513 1.998 0 50 HDAA O=C(NCc1cc2c(s1)CCSC2)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 2325740528 UKVPGQLCLUJMCD-CQSZACIVSA-N 409.577 1.334 0 50 HDAA COc1cc2c(cc1OC)C1(CCN(C(=O)c3nc4ncccn4n3)CC1)OCC2 2356156469 CYSSIXPVYOSMTJ-UHFFFAOYSA-N 409.446 1.846 0 50 HDAA C[C@H](O)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O 4762676 UEAPJHKMJTZURQ-WBAXXEDZSA-N 400.431 1.474 0 50 HDAA CCOC(=O)N1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)CC1 5041395 WTOXSXASPBVSBJ-QGZVFWFLSA-N 423.535 1.696 0 50 HDAA COCCNC(=O)c1cn(C2CCN(C(=O)/C=C\c3cccc(F)c3)CC2)nn1 11910447 WQODEXSNYDIAOQ-WAYWQWQTSA-N 401.442 1.670 0 50 HDAA O=C(Nc1ccnn1C1CCN(C(=O)Cn2cccn2)CC1)c1ccc2c(c1)OCO2 12203784 JVAWNERRUCCYBR-UHFFFAOYSA-N 422.445 1.924 0 50 HDAA O=C1NCCN(C/C=C/c2ccccc2)[C@@H]1CC(=O)N1CCN(c2cnccn2)CC1 14975262 MVLAWTKEGTZGQU-WWPOYFSUSA-N 420.517 1.029 0 50 HDAA CCN1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2cccc3nsnc23)CC1 19527802 TWLWWWAOSHHELE-CQSZACIVSA-N 409.537 1.009 0 50 HDAA O=C(CN1C(=O)N[C@](Cc2ccccc2Cl)(C2CCNCC2)C1=O)NC1CC1 67757039 FDPDWCRSQAFNPF-HXUWFJFHSA-N 404.898 1.451 0 50 HDAA O=C(CC[C@H]1NC(=O)N(CCc2ccccc2)C1=O)NCCc1nnc2ccccn12 223240777 IVHDAPSNNNQWQA-QGZVFWFLSA-N 420.473 1.331 0 50 HDAA Cc1cc(NC(=O)[C@@H](C)N2CCC[C@@H](c3n[nH]cc3C(=O)N3CCOCC3)C2)on1 328602976 DNVGPUYFELMBTK-HUUCEWRRSA-N 416.482 1.385 0 50 HDAA COc1cc(C(=O)N2CCN(C(=O)N[C@H]3CC(=O)N(C(C)C)C3)CC2)ccc1C 429498961 BVOIRJNBOSJQOU-KRWDZBQOSA-N 402.495 1.480 0 50 HDAA COc1ccc2[nH]c(CNC(=O)C3CCN([C@@H]4CCS(=O)(=O)C4)CC3)cc2c1 670441941 CFYUYOBSEADHMB-QGZVFWFLSA-N 405.520 1.692 0 50 HDAA COc1ccc2nc(CCN(C)C(=O)c3ccc(N4CC(=O)NC4=O)cc3)[nH]c2c1 1506408658 VYFLVJTYLMDKBX-UHFFFAOYSA-N 407.430 1.942 0 50 HDAA Cn1ccnc1CN1CCC2(CC1)CN(CCn1c(=O)oc3ccccc31)CCO2 1857687557 YMTFOZWRDXDCDU-UHFFFAOYSA-N 411.506 1.695 0 50 HDAA CNC(=O)c1ccc(CNC(=O)[C@H]2CC[C@@H](O)[C@H](N=c3cnc4ccccc4[nH]3)C2)o1 1857696070 LDSYWOBHXZZGNB-MORSLUCNSA-N 423.473 1.262 0 50 HDAA COCCc1nc(CNC(=O)C[C@H]2CCCN(c3nc4ncccc4o3)C2)no1 1857696732 ADDJWZUYEVPBJG-CYBMUJFWSA-N 400.439 1.718 0 50 HDAA CSc1ncc(-c2nccn2[C@@H]2C[C@H]3CO[C@@H](CC(=O)N(C)C)CN3C2)cn1 1857736590 NQEXEYQNDXXDKW-PMPSAXMXSA-N 402.524 1.555 0 50 HDAA CN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1875315124 JGNZAGSXNKOBJD-IJLUTSLNSA-N 414.446 1.677 0 50 HDAA COc1ccc(F)cc1C(=O)N[C@H]1CC[C@H]2C[C@H]1CN2C(=O)C[C@@H]1CCNC1=O 1875335247 YKXUFYVKBYFFTI-HPZZRFSDSA-N 403.454 1.470 0 50 HDAA O=C(c1nc2ncccn2n1)N1CCC[C@@]12CCCN(CCc1ccccc1)C2=O 2100537318 MRBKEYARRSUUBX-JOCHJYFZSA-N 404.474 1.964 0 50 HDAA O=C(CC1(CC(=O)NCC[C@H]2CCC(=O)N2)CCCCC1)NCC[C@@H]1CCC(=O)N1 2325723718 XFWMMBAZCPLBRP-CALCHBBNSA-N 420.554 1.287 0 50 HDAA C=CC(=O)N(C)CC(=O)N1CCCC[C@@H]1c1n[nH]cc1I 2325787043 YZSIBYPJBWTEKE-LLVKDONJSA-N 402.236 1.712 0 50 HDAA CCOC(=O)N1CCN(C(=O)CN(c2cccc3ccccc23)S(C)(=O)=O)CC1 876936 YVPUGGWXHKWFIV-UHFFFAOYSA-N 419.503 1.907 0 50 HDAA O=S(=O)(c1ccc(F)cc1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 899563 GNSIUAKHKFNBEZ-UHFFFAOYSA-N 402.444 1.660 0 50 HDAA NS(=O)(=O)c1ccc(CCN[C@@H]2CC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1 6182961 NFCPJMVIXFKRKY-QGZVFWFLSA-N 421.906 1.447 0 50 HDAA CN(Cc1cnccn1)C(=O)C[C@H]1C(=O)NCCN1Cc1ccc2ccccc2c1 12459835 AUSXRNJECXOOFU-NRFANRHFSA-N 403.486 1.979 0 50 HDAA CC(C)C[C@H]1C(=O)N2CCN(Cc3cnn(-c4cccc(F)c4)c3)C[C@@H]2C(=O)N1C 14745624 AMXVIGOEADMIFL-VQTJNVASSA-N 413.497 1.911 0 50 HDAA O=C1CN([C@@H]2c3ccccc3C3(CCN(C(=O)CC4CCCC4)CC3)[C@H]2O)CCN1 19112723 LBHNEJYTTYFXLM-PKTZIBPZSA-N 411.546 1.975 0 50 HDAA COc1ccc(CNCCCn2ccnc2)c(OC[C@@H](O)CN2CCN(C)CC2)c1 20209271 ZUBWYASIALTFMW-FQEVSTJZSA-N 417.554 1.059 0 50 HDAA CC(=O)c1cn(CC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)c2ccccc12 61721687 ZEVFREKOKXLZFY-INIZCTEOSA-N 403.504 1.175 0 50 HDAA COc1cccc(C(=O)N2CCN(c3cc(-n4cccn4)nc(C)n3)CC2)c1OC 67621222 XPWNJTPTVPTBEQ-UHFFFAOYSA-N 408.462 1.950 0 50 HDAA Cc1nnc(CN(C)C(=O)[C@H]2[C@@H]3C=C[C@@]4(CN(Cc5ccc(C)c(C)c5)C(=O)[C@H]24)O3)o1 77318931 PSKQIWLJMFZOGR-UDSSINMLSA-N 422.485 1.935 0 50 HDAA COc1cc2c(cc1OC)CN(C(=O)CC[C@@]1(CCC(=O)O)CCC(=O)N1)CC2 219756420 GIRXQMJDHFDBHP-OAQYLSRUSA-N 404.463 1.882 0 50 HDAA O=C(O)[C@@H]1CC[C@@H](C(=O)N[C@@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)O1 432091506 FYLRXFFOAQPBPV-AGIUHOORSA-N 402.325 1.439 0 50 HDAA COc1cc2nc(N3CC[C@@H](N4CCN(C)CC4)[C@@H](C)C3)nc(N)c2cc1OC 487094635 QQPLAWYNOSLRCC-WMLDXEAASA-N 400.527 1.691 0 50 HDAA CC(=O)N1c2ccc(S(=O)(=O)N3CCN(CC(C)(F)F)CC3)cc2C[C@@H]1C 1309897282 GHGXBUUTABOHHE-ZDUSSCGKSA-N 401.479 1.946 0 50 HDAA CS(=O)(=O)c1ccc(CN2CC[C@](Cc3ccccc3)(C(=O)O)[C@@H](O)C2)cc1 1704313585 QXZLTNLYFQIYJV-PZJWPPBQSA-N 403.500 1.970 0 50 HDAA O=C(O)CC[C@@]12CN(Cc3nccs3)C[C@H]1CN(C(=O)Cc1ccncc1)C2 1772817922 JIVCNMCWWVLGHG-JXFKEZNVSA-N 400.504 1.906 0 50 HDAA CCn1nc(C)cc1C(=O)NC[C@H]1CN(CC2CCN(CC3CC3)CC2)C(=O)CO1 1857682435 KHFZVBWUZFJOGC-IBGZPJMESA-N 417.554 1.291 0 50 HDAA COc1ccc([C@H](CC(=O)NCCN(C)C)c2c(O)nc3ccccn3c2=O)cc1 2049512045 SQHKQEQOGODRRQ-KRWDZBQOSA-N 410.474 1.609 0 50 HDAA O=C(Cc1ccccc1O)NCc1ccc2c(c1)C(=O)N([C@@H]1CCC(=O)NC1=O)C2 2325896187 SMWICPBICDFPBA-QGZVFWFLSA-N 407.426 1.012 0 50 HDAA COC[C@H]1CCCN1S(=O)(=O)N1CCC2(CC1)OCCc1cc(OC)ccc12 2356160484 UOHFKOINOOPDKQ-QGZVFWFLSA-N 410.536 1.915 0 50 HDAA NS(=O)(=O)c1ccc(NC(=O)C2CCN(C(=O)Cc3ccccc3)CC2)cc1 783922 HAHNCXKICIBSBY-UHFFFAOYSA-N 401.488 1.754 0 50 HDAA COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc3c(c2)OCCO3)cc1OC 802529 ZXOXZQMDGUDQJU-UHFFFAOYSA-N 422.459 1.734 0 50 HDAA Cc1nnc(SCCn2c(N3CCCCC3)nc3c2c(=O)n(C)c(=O)n3C)s1 812628 CVYXCJWVJRVRIV-UHFFFAOYSA-N 421.552 1.376 0 50 HDAA Cc1cc(Cl)c(S(=O)(=O)N[C@H](C(=O)O)c2ccccc2)cc1OCC(N)=O 4196854 NOAMXORTKCKTEG-INIZCTEOSA-N 412.851 1.617 0 50 HDAA COc1cc(OC)c(CN2CCN(CCOCCO)CC2)cc1Br 19606995 RJCQPDNABUBZQW-UHFFFAOYSA-N 403.317 1.593 0 50 HDAA COc1ccc(N(C[C@@H](O)CN2CCOCC2)S(=O)(=O)c2ccccc2)cc1 19791193 XJYXLBPNVBEDSW-SFHVURJKSA-N 406.504 1.584 0 50 HDAA CCOc1nc(CC)nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)n1 22016309 NEUWCUBWMBDYJY-UHFFFAOYSA-N 409.424 1.130 0 50 HDAA Cc1cc(C(=O)N2CCC[C@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)n[nH]1 22851508 UHPAMQOWSPONMB-SFHVURJKSA-N 411.506 1.869 0 50 HDAA CC(C)(CO)CNC(=O)C[C@@H]1C(=O)NCCN1Cc1cccc(C(F)(F)F)c1 55224603 SICYCIQFBBZHFX-OAHLLOKOSA-N 401.429 1.531 0 50 HDAA COc1cccc(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N(C)Cc3nnc(C)o3)[C@H]4C2=O)c1 77287773 VMHHCIBPGXJIOT-FUOQNJDISA-N 424.457 1.327 0 50 HDAA O=C(CC[C@@H]1N=C(O)N(c2ccccc2)C1=O)NCCn1c(CO)nc2ccccc21 252479326 BDBVCKPKRJMDCE-KRWDZBQOSA-N 421.457 1.754 0 50 HDAA O=C(C[C@H]1N=C(O)N(c2ccccc2)C1=O)NCCn1cnc2ccccc2c1=O 252484191 FQWYGPGNMVYCHM-QGZVFWFLSA-N 405.414 1.232 0 50 HDAA Cc1ccnc(CC(=O)N2CCOC3(CCN(C(=O)[C@@H]4CCCN4C)CC3)C2)c1 823783369 BTKRKZZIFMNRIT-IBGZPJMESA-N 400.523 1.247 0 50 HDAA COC(=O)COCC(=O)N1CC[C@](c2nc(-c3ccccn3)no2)(C(F)(F)F)C1 952892607 IHHCIQIIKQHKGD-INIZCTEOSA-N 414.340 1.354 0 50 HDAA CN(C)C[C@H](O)CN1CCN(c2noc(-c3ccc(Cl)cc3)c2C(=O)O)CC1 1704303831 JMKSLJVZIYRUGB-HNNXBMFYSA-N 408.886 1.738 0 50 HDAA COc1ccccc1CNC(=O)CN1CC[C@](Cc2ccccc2)(C(=O)O)[C@@H](O)C1 1704310800 SZVSIHTUOQOPSE-NZQKXSOJSA-N 412.486 1.692 0 50 HDAA Cc1ccc(-n2cccn2)cc1S(=O)(=O)N1C[C@@H]2[C@H](CN(C)C)[C@H]3CC[C@]2(C1)O3 1704337955 IECDWBVGORYCNC-QEUVDIPISA-N 416.547 1.910 0 50 HDAA COC[C@H]1CCCN1S(=O)(=O)N1CCCN(C(=O)C2C(C)(C)C2(C)C)CC1 1800414384 QGBIZZUDZLFCJX-OAHLLOKOSA-N 401.573 1.559 0 50 HDAA C[C@@H]1CN(C(=O)C2CC(n3ccnc3)C2)CC[C@H]1CNC(=O)c1nc[nH]c2nccc1-2 1875353407 RPXKTYJRVIXZCS-XNIRIUNOSA-N 421.505 1.972 0 50 HDAA Nc1ncc(C(=O)NC2CCN(S(=O)(=O)C3CCOCC3)CC2)cc1Cl 2325733791 DPROTNXZHSOMQD-UHFFFAOYSA-N 402.904 1.020 0 50 HDAA CN(C)c1ncc2c(n1)[C@]1(CCCN(C(=O)c3ccccc3-c3nn[nH]n3)C1)CC2 2356146879 YNZZEVHHIVCZSY-OAQYLSRUSA-N 404.478 1.843 0 50 HDAA CCn1cc(NS(=O)(=O)c2cnn(CC)c2C)c(C(=O)NCc2ccco2)n1 2804892 KTLLJYRHUTZRMM-UHFFFAOYSA-N 406.468 1.752 0 50 HDAA CC1CCN(S(=O)(=O)c2cccc(C(=O)N(C)[C@@H]3CCS(=O)(=O)C3)c2)CC1 4196766 WYDXADGFMRSXAJ-MRXNPFEDSA-N 414.549 1.366 0 50 HDAA Cc1nonc1C(=O)N1CCC[C@H](CCC(=O)N2CCN(c3ccccn3)CC2)C1 12588677 BILXTWLNQAFLFN-QGZVFWFLSA-N 412.494 1.754 0 50 HDAA O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 13465240 NZBVTTOSPFJGQK-IRXDYDNUSA-N 413.474 1.235 0 50 HDAA O=C(NCCc1nnc2n1CCN(Cc1ccc3c(c1)CCO3)CC2)[C@H]1CCCO1 20912955 XWWMCWPUAMWGKG-LJQANCHMSA-N 411.506 1.109 0 50 HDAA CN(Cc1nc(-c2ccccc2)no1)C(=O)C[C@@H]1C(=O)NCCN1Cc1ccoc1 55036558 CDJZSEWHAFBABS-QGZVFWFLSA-N 409.446 1.679 0 50 HDAA COc1ccc(Cl)cc1N([C@@H](C)C(=O)NC1CCN(C)CC1)S(C)(=O)=O 67612935 NELHAVFMUIRRJY-LBPRGKRZSA-N 403.932 1.714 0 50 HDAA COc1ccc(Cl)cc1N([C@H](C)C(=O)NC1CCN(C)CC1)S(C)(=O)=O 67612939 NELHAVFMUIRRJY-GFCCVEGCSA-N 403.932 1.714 0 50 HDAA Cc1ccc(C)c(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N(C)Cc3ncc[nH]3)[C@H]4C2=O)c1 77523546 CHVHSKCYJXRSQV-UDSSINMLSA-N 406.486 1.967 0 50 HDAA CCOC(=O)[C@@]1(COC)CCCN(C(=O)c2ccc(=O)n(-c3ccc(F)cc3)n2)C1 241383283 MTYBCABBHNQPKV-NRFANRHFSA-N 417.437 1.804 0 50 HDAA CN1CCN(C(=O)CCNC(=O)C2(c3cccc(Br)c3)CC(=O)C2)CC1 253418773 ZMZNAVOXKASEOH-UHFFFAOYSA-N 422.323 1.330 0 50 HDAA CN(C(=O)c1cccc(S(=O)(=O)N2C[C@@H]3C[C@H]4C[C@H]3[C@H]2[C@H]4O)c1)c1ccccn1 408524973 FCRZYOOFKDCOIW-QHOFPYNOSA-N 413.499 1.748 0 50 HDAA Cn1ccc(N2CCC[C@@H](NC(=O)C3(c4cccc(F)c4)CCOCC3)C2=O)n1 460414595 BEDGOYVGFOVVNQ-QGZVFWFLSA-N 400.454 1.919 0 50 HDAA O=C([C@@H]1CC(=O)N(c2n[nH]c3ccccc23)C1)N1C[C@@H]2C[C@@H](C1)[C@H]1CCCC(=O)N1C2 888088401 WHPFBAXYJMNJEV-YIOZNXECSA-N 421.501 1.775 0 50 HDAA CC(=O)N1CC[C@@H](NC(=O)[C@H]2CCCCN2C(=O)c2ccc(O)nn2)c2ccccc21 1324466290 KTURMYPHLBMTGR-VQIMIIECSA-N 423.473 1.791 0 50 HDAA COCCc1noc([C@H]2CCCCN2C(=O)c2ccc(N3CC(=O)NC3=O)cc2)n1 1506413193 IGEDTUAIIRCKQU-OAHLLOKOSA-N 413.434 1.682 0 50 HDAA CS(=O)(=O)c1ccc(C(=O)N2C[C@H]3CN(Cc4nccs4)C[C@]3(CO)C2)cc1 1772814413 XXGYTIAOGGCFOO-DNVCBOLYSA-N 421.544 1.113 0 50 HDAA Oc1nc(N2CCOCC2)nc2c1CC[C@@]21CCCN(c2ncc(Cl)cn2)C1 1857688292 AXKZXTZKTLKYAF-LJQANCHMSA-N 402.886 1.947 0 50 HDAA O=C(CN1CCOC1=O)N1CCC[C@@]2(CCc3c(O)nc(-c4cccnc4)nc32)C1 1857691406 JUGAFKFSRAILHU-OAQYLSRUSA-N 409.446 1.503 0 50 HDAA Cc1ccn(CCC(=O)NC[C@@H]2CN(CC3CCN(CC4CC4)CC3)C(=O)CO2)n1 1857693347 SJQJZRYJPIZAMO-HXUWFJFHSA-N 417.554 1.047 0 50 HDAA CN(CCO)S(=O)(=O)N1CCN(C(=O)Nc2ccc(C(F)(F)F)cc2)CC1 1875256859 CDZTZAAPGNXOLT-UHFFFAOYSA-N 410.418 1.024 0 50 HDAA COC(=O)c1ccc(NS(=O)(=O)NC(=O)[C@@H]2CC(=O)Nc3ccccc32)cc1 2325748499 XTZWZLNTTJUBPA-CQSZACIVSA-N 403.416 1.372 0 50 HDAA O=C(NC[C@H]1CC2(CCNCC2)C(=O)O1)c1cc(Cl)c(Br)cn1 2325854076 NIZZTOQWVUPUCU-SECBINFHSA-N 402.676 1.913 0 50 HDAA CCOC(=O)[C@@H](NC(=O)Cc1n[nH]c2c1CCCC2)[C@H](O)c1ccc(OC)cc1 2325861124 GKKOKDMRZZEPOK-VQTJNVASSA-N 401.463 1.621 0 50 HDAA COC(=O)[C@H]1C[C@@H](C(=O)N2[C@H]3CC[C@@H]2C[C@@H](NC(=O)[C@H]2CCc4c[nH]nc4C2)C3)C1 2325872600 GCMXAYWYLRHRBP-ZPUCZNJJSA-N 414.506 1.352 0 50 HDAA COc1ccccc1CN(C)C(=O)c1ccc2c(c1)CN([C@@H]1CCC(=O)NC1=O)C2=O 2325887052 SBIDCSNIRCVGOE-GOSISDBHSA-N 421.453 1.728 0 50 HDAA CCOc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3cccs3)CC2)cc1 7212695 VOUZFEKXFAUNOB-UHFFFAOYSA-N 416.546 1.842 0 50 HDAA COCC(=O)N[C@@H](c1nnc2n1CCN(Cc1cccc(OC)c1)CC2)C(C)C 11911230 YUYXZUPJELXNRN-HXUWFJFHSA-N 401.511 1.805 0 50 HDAA COCCS(=O)(=O)c1ncc(CN(C)CCc2cn[nH]c2)n1Cc1ccccc1 19226281 BQQOOICUKITLBE-UHFFFAOYSA-N 417.535 1.749 0 50 HDAA CC(C)Cc1ccc(CN2CCc3nnc(CNC(=O)[C@H]4CCC(=O)N4)n3CC2)cc1 20270996 ZEKFVUJNOHMNTE-LJQANCHMSA-N 424.549 1.430 0 50 HDAA O=C(NCc1nnn[nH]1)[C@@H]1CCCN(C2CCN(c3nc4ccccc4o3)CC2)C1 71747042 JVPQGTYZTBHUIL-CQSZACIVSA-N 410.482 1.338 0 50 HDAA CCc1ncc(C(=O)N2CCC3(CC2)CN(CCN(C)CCOC)C(=O)O3)cn1 77355095 UAMUOEAADDBQRF-UHFFFAOYSA-N 405.499 1.044 0 50 HDAA CCN1CCN(CCCN2CC3(CCN(C(=O)[C@@H]4CC4(C)C)CC3)OC2=O)CC1 77504937 YDLHUNCBFYCZDA-SFHVURJKSA-N 406.571 1.874 0 50 HDAA Cn1c(=O)[nH]c(=O)c2c1nc(N[C@H](Cc1ccccc1)C(=O)O)n2Cc1ccccc1 170624352 DBLUDUQXVRDKJH-MRXNPFEDSA-N 419.441 1.579 0 50 HDAA O=C(Nc1ccc2c(c1)OCCO2)[C@H]1[C@@H]2C(=O)N(Cc3ccncc3)C[C@@]23C=C[C@H]1O3 252431011 YEUXMNPIKNKIDQ-CFKGEZKQSA-N 419.437 1.774 0 50 HDAA O=C1CCN(c2ccccc2C(=O)NCc2csc(-c3cnccn3)n2)C(=O)N1 670451347 OBWJNKHJZNCQKN-UHFFFAOYSA-N 408.443 1.976 0 50 HDAA Cn1cncc1C(=O)N1CCC(N2C[C@H](COc3ccc(F)cc3)OCC2=O)CC1 1857676172 PJSFHEZQOLJWLV-GOSISDBHSA-N 416.453 1.470 0 50 HDAA NS(=O)(=O)CCNC(=O)Cc1c(-c2ccccc2)oc2cc3c(cc12)OCO3 2049513387 MYHWXIGWGMHFDW-UHFFFAOYSA-N 402.428 1.776 0 50 HDAA CCn1cc(NC(=O)Cn2nc(C(F)(F)F)c(Br)c2C)c(C(N)=O)n1 2780780 HFILABPZZIWCOS-UHFFFAOYSA-N 423.193 1.927 0 50 HDAA CCN(CC)C(=O)CN(c1ccc(I)cc1)S(C)(=O)=O 2817430 CNPQJVLUMURYNH-UHFFFAOYSA-N 410.277 1.926 0 50 HDAA CCOc1ccccc1CN1CCNC(=O)[C@@H]1CC(=O)N(C)Cc1nnc(C)o1 11840231 QARPSEZYXOSHRT-INIZCTEOSA-N 401.467 1.126 0 50 HDAA COc1ccc(CNCCCn2cccn2)c(OC[C@@H](O)CN2CCN(C)CC2)c1 20534642 FMHUBLHYDLSDQG-FQEVSTJZSA-N 417.554 1.059 0 50 HDAA O=C(NCc1coc(-c2ccccc2)n1)[C@H]1CCC(=O)N(CCN2CCOCC2)C1 20600928 XWBCRAXLMLAKRC-SFHVURJKSA-N 412.490 1.529 0 50 HDAA O=C(OC[C@@H](O)CN1CCN(c2ncccn2)CC1)C12CC3CC(CC(C3)C1)C2 23115104 RIVWMYUQOYMQDD-ONUXSRJRSA-N 400.523 1.719 0 50 HDAA Cn1cc(CNC(=O)C[C@H]2C(=O)NCCN2Cc2ccccc2C(F)(F)F)cn1 55133311 GLHFHBFZCYRXSK-INIZCTEOSA-N 409.412 1.446 0 50 HDAA Nc1ncc(CN2CCC(N3CCC(C(=O)NCc4ccccn4)CC3)CC2)cn1 55243668 ZTIUINGWUHGKGC-UHFFFAOYSA-N 409.538 1.447 0 50 HDAA CNC(=O)CN(C)C(=O)[C@H]1CCCN(C2CCN(c3nc4ccccc4o3)CC2)C1 71764822 HVKLXFFYKVOPLV-INIZCTEOSA-N 413.522 1.713 0 50 HDAA COC[C@H](C)n1c(CCCC(=O)N2CCc3nnc(C)n3CC2)nc2cccnc21 77322719 IRDLEVFVAQALTM-HNNXBMFYSA-N 411.510 1.946 0 50 HDAA Cc1nc(N2CCCC2)nc(N2CC[C@@]3(O)CCN(C(=O)N(C)C)C[C@H]3C2)c1C 95381222 VKOUSAUYOBCXQL-DYESRHJHSA-N 402.543 1.638 0 50 HDAA COCCC(=O)N1CCC(Oc2ccc(C(=O)NCc3noc(C)n3)cc2)CC1 95511022 LLRXPNZMBVOCDR-UHFFFAOYSA-N 402.451 1.714 0 50 HDAA Cc1ccc(CNC(=O)C[C@@H]2CN(Cc3ccccc3)CCO2)c(-n2cncn2)n1 170607809 OCKNOHYQPBPTDC-HXUWFJFHSA-N 406.490 1.878 0 50 HDAA Cc1cc(C)n(C(=O)N2CCN(c3ncccc3S(=O)(=O)N3CCCC3)CC2)n1 221644085 HYFKFLRBNOSCIN-UHFFFAOYSA-N 418.523 1.470 0 50 HDAA O=C(NC[C@@H]1CCCO1)[C@H](Cc1ccccc1)N1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C1=O 239347375 MUMJFVIKAVCMQJ-QXOHZNJTSA-N 420.509 1.946 0 50 HDAA COc1ccccc1[C@@H]1N[C@H](C(=O)O)[C@H]2C(=O)N(c3cccc(C(=O)O)c3)C(=O)[C@H]21 245247136 QEDAEDLVVRNFCM-QZWWFDLISA-N 410.382 1.297 0 50 HDAA CN(CC1(N2CCCCC2)CCCCC1)C(=O)c1cc2n(n1)C[C@H](O)CNC2=O 426489692 SGHNAAPCBFQXFK-MRXNPFEDSA-N 403.527 1.248 0 50 HDAA O=C(O)[C@@H]1CCCN(S(=O)(=O)NCCCc2nc3ccc(Cl)cc3[nH]2)C1 670447257 XXQYQMPHQUJMCY-LLVKDONJSA-N 400.888 1.780 0 50 HDAA O=C(NC12C[C@@H]3C[C@H](C1)CC(n1ncnn1)(C3)C2)[C@@H]1CC(=O)N(Cc2ccccn2)C1 827696723 RJTIKGNGJJEIEK-XYOLMSGHSA-N 421.505 1.281 0 50 HDAA O=C(NCC1CCN(c2nc(-c3ccccc3)no2)CC1)c1ccc2nnnn2c1 828172201 MYSYZTOZVNKKPW-UHFFFAOYSA-N 404.434 1.821 0 50 HDAA Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1NC(=O)c1ccc(-n2cnnn2)cc1 1318796693 FPWRPTWZWWNTLS-HNNXBMFYSA-N 401.452 1.088 0 50 HDAA O=C1N[C@@H]2COC[C@H]1CN(C(=O)CCCc1nc(-c3ccccc3Cl)no1)C2 1704326315 UQNVAQKXYULXPP-OLZOCXBDSA-N 404.854 1.686 0 50 HDAA O[C@H]1CCCN(c2ccnc(N3CCN(c4nnc(C(F)(F)F)s4)CC3)n2)C1 1704338495 CZYPWQGVQNMZEW-NSHDSACASA-N 415.445 1.635 0 50 HDAA O=C(O)CN1CCC2(CC1)OCCc1cc(C(=O)NC[C@H]3CCCCO3)sc12 1857694128 BRJQWTLMCFVDKZ-OAHLLOKOSA-N 408.520 1.995 0 50 HDAA CCCc1nnc(N2C[C@@H](C(=O)N3CCC(c4cc[nH]c(=N)n4)CC3)CC2=O)s1 1857713291 SVBITDJWSROGBR-ZDUSSCGKSA-N 415.523 1.452 0 50 HDAA CN(c1ccc(C(=O)N2CC[C@H](O)[C@](CC3CC3)(C(=O)O)C2)cc1)S(C)(=O)=O 1875241509 AYQGVIDLVWDTSY-QFBILLFUSA-N 410.492 1.160 0 50 HDAA NS(=O)(=O)c1coc(C(=O)NCc2csc(CNC(=O)c3ccccc3)n2)c1 1875322687 AYACLMJDJWADED-UHFFFAOYSA-N 420.472 1.244 0 50 HDAA CC[C@@H]1C(=O)NCCCN1C(=O)CCc1cn([C@@H](Cc2ccccc2)C(=O)O)nn1 1875355139 BEIQRBFATDKROI-MSOLQXFVSA-N 413.478 1.206 0 50 HDAA C=CC(=O)N1CCC[C@H](C(=O)N2CCCN(S(=O)(=O)c3ccccc3)CC2)C1 2325889432 QFSJISCDMPIABN-KRWDZBQOSA-N 405.520 1.334 0 50 HDAA CC1(C)N=C(O)N(C[C@H](O)COc2ccc(N3C(=O)c4ccccc4C3=O)cc2)C1=O 864121 FBZAMOMYUFJOBO-AWEZNQCLSA-N 423.425 1.762 0 50 HDAA COc1ccc(Cl)cc1Nc1nc(N2CCOCC2)nc(N2CCOCC2)n1 1115051 IZNBBPMTGBAWDW-UHFFFAOYSA-N 406.874 1.950 0 50 HDAA NCCCC[C@H](N[C@H](CCc1ccccc1)C(=O)O)C(=O)N1CCC[C@@H]1C(=O)O 3873145 RLAWWYSOJDYHDC-RCCFBDPRSA-N 405.495 1.235 0 50 HDAA biogenic,in-vitro O=C(N[C@@H]1CCS(=O)(=O)C1)c1cccc(S(=O)(=O)N2CCCCCC2)c1 4304462 ILNCPLVDQAHMCG-OAHLLOKOSA-N 400.522 1.168 0 50 HDAA COc1cc(CN(C)CC2CCOCC2)ccc1OC[C@@H](O)CN1CCOCC1 12575942 VKTGCVDZKIEGFI-FQEVSTJZSA-N 408.539 1.626 0 50 HDAA COCCCNc1nc2nonc2nc1N1CCCC[C@H]1CCN1CCOCC1 19794820 KAGYCLFJBSIWET-HNNXBMFYSA-N 405.503 1.542 0 50 HDAA CSc1ccc(CN2CCc3nnc(CCNC(=O)[C@@H]4CCCO4)n3CC2)cc1 20920243 DHQNAADPHXHTDC-SFHVURJKSA-N 415.563 1.896 0 50 HDAA COc1ccc(-c2ccc(=O)n(CC(=O)N3CCN(c4ccccn4)CC3)n2)cc1 39010916 KZIFPZUUQSWEDI-UHFFFAOYSA-N 405.458 1.663 0 50 HDAA COc1ccc(C(=O)N2CCN(CCNC(=O)C(=O)Nc3ccccc3)CC2)cc1 55183440 MDNSMBUEYDKGGS-UHFFFAOYSA-N 410.474 1.208 0 50 HDAA CCN1C[C@@]2(COC)CC[C@H](OC)[C@@]34[C@H]2C[C@@H]([C@@H]13)[C@@]1(O)C[C@@H](OC)[C@@H]2C[C@@H]4[C@@H]1[C@@H]2O 249681036 BDCURAWBZJMFIK-TUZYJWCLSA-N 421.578 1.531 0 50 HDAA biogenic O=C(CN1CC[C@@]2(CCCN(Cc3cccc(F)c3F)C2=O)C1)N1CCOCC1 426555462 INMBDLPIHWSTGH-NRFANRHFSA-N 407.461 1.638 0 50 HDAA COc1ccc([C@@H]2[C@@H](CO)OCCN2C(=O)c2ccc(N(C)C)nc2)cc1OC 1529106835 SEUJBQRPPWSHPY-UYAOXDASSA-N 401.463 1.739 0 50 HDAA CCOC(=O)[C@@]12CC[C@H](N3CCOCC3)C[C@H]1CCN(C(=O)c1cccc(N)n1)C2 1857682272 HYUQMLLCPONSDQ-HYFFOGBASA-N 416.522 1.560 0 50 HDAA COCCN1CC(=O)N2[C@H](c3ccccc3)[C@H](C(=O)NCc3ccccn3)C[C@@H]2C1 1857695192 YWEYILXDFPJWLP-KCZVDYSFSA-N 408.502 1.618 0 50 HDAA CN1CCN(c2ccc(C(=O)N[C@H]3CC[C@@H](NC(=O)c4ccncc4)C3)cc2)CC1 1857696255 TYJCLFINLTTXBB-VQTJNVASSA-N 407.518 1.914 0 50 HDAA NC(=O)c1sccc1S(=O)(=O)NC(=O)c1cccc(C(=O)N2CCCCC2)c1 1875346156 VGSHAGANZNIPSW-UHFFFAOYSA-N 421.500 1.592 0 50 HDAA CC(CN1CCC(N2CCO[C@H](C)C2)CC1)CN1CCC(N2CCO[C@H](C)C2)CC1 2325733828 ZWNQVGVQIKMVKX-FGZHOGPDSA-N 422.658 1.993 0 50 HDAA O=C(NC[C@@H]1CC2(CCNCC2)C(=O)O1)c1[nH]nc2ncc(Br)cc12 2325853772 AYSBBBFRFMMBQX-JTQLQIEISA-N 408.256 1.136 0 50 HDAA COC(=O)[C@H](CSCc1ccccc1)NC(=O)CSc1nc(N)cc(N)n1 4593498 RPNDVTXUFKIAQC-LBPRGKRZSA-N 407.521 1.324 0 50 HDAA CN1CCC(N(C)Cc2cnc(S(=O)(=O)CC3CC3)n2C[C@H]2CCCO2)CC1 12434310 WFHGOISMBAXIQR-LJQANCHMSA-N 410.584 1.772 0 50 HDAA CN1CCN(CCNC(=O)[C@H]2CCC(=O)N(CCc3ccc(Cl)cc3)C2)CC1 19792254 DQRHKKOCOYIJOR-SFHVURJKSA-N 406.958 1.485 0 50 HDAA O=S(=O)(c1ccc(F)cc1F)N1CCN(c2cc(N3CCCC3)ncn2)CC1 38530874 QDBIEMSAIQAQMW-UHFFFAOYSA-N 409.462 1.866 0 50 HDAA COC(=O)N[C@@H](C)C(=O)N1CCC2(CCC(=O)N(CCc3ccccn3)C2)CC1 91270428 XLSJMDJZQMGLSP-INIZCTEOSA-N 402.495 1.600 0 50 HDAA COc1cc(CN2CCS(=O)(=O)CC2)ccc1OC[C@H](O)CN(C)C(C)C 95503909 PLNZKEPMMJMRQU-QGZVFWFLSA-N 400.541 1.006 0 50 HDAA O=C(c1cn2ccccc2n1)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CC1 95524957 WKUUALYMGOLPAW-UHFFFAOYSA-N 404.474 1.984 0 50 HDAA CC(=O)N1C[C@@H](CCC(=O)NCCS(=O)(=O)NCC2CCC2)c2ccccc21 170597114 YFJOUNISJLJSRM-QGZVFWFLSA-N 407.536 1.753 0 50 HDAA O=c1[nH]cnc2c1CN(c1ncnc3ccc(I)cc13)CC2 170685835 BMALOJHNEQYOBU-UHFFFAOYSA-N 405.199 1.880 0 50 HDAA CCOC(=O)C1(O)CCN(C(=O)[C@@]23CCC[C@@H]2CN(C(=O)OC(C)(C)C)C3)CC1 225504810 LQEUDBYRXVUISR-FOIQADDNSA-N 410.511 1.940 0 50 HDAA CCOC(=O)c1cn(CCNS(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)cn1 242164639 WWQHMKCEXQFNBL-UHFFFAOYSA-N 406.464 1.268 0 50 HDAA CCN1C[C@@]2(COC)CC[C@H](OC)[C@@]34[C@H]2C[C@@H]([C@@H]13)[C@]1(O)C[C@@H](OC)[C@@H]2C[C@@H]4[C@@H]1[C@H]2O 249681040 BDCURAWBZJMFIK-WBNDLLBSSA-N 421.578 1.531 0 50 HDAA biogenic C[C@H]1CCCN(S(=O)(=O)NC[C@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)C1 299754296 HYALKJZQGOPCBY-WDSOQIARSA-N 406.552 1.152 0 50 HDAA O=C1C[C@@H](C(=O)N2CCN(c3nc4ccccc4o3)CC2)CN1Cc1ccccn1 606389838 LUHSUJFZUBMOAE-MRXNPFEDSA-N 405.458 1.920 0 50 HDAA COc1ccc(CN2C[C@@H]3[C@H](C2)[C@@H]2CC[C@H]3N2C(=O)[C@@H]2COC(=O)N2)cc1OC 1857668458 KYJICXQPGKCXGV-BQJWPVKWSA-N 401.463 1.233 0 50 HDAA Cn1cc(S(=O)(=O)N[C@@H]2CCC[C@@H](NC(=O)C3Cc4ccccc4C3)C2)cn1 1857699448 UXXHOIPOGWHIIS-QZTJIDSGSA-N 402.520 1.541 0 50 HDAA COc1ccc(CN(C)C[C@]2(O)CCCN(c3nccc(=N)[nH]3)C2)c2cccnc12 1857723137 VIWWYZXZKCWVBS-JOCHJYFZSA-N 408.506 1.909 0 50 HDAA O=C([C@H]1CCOC1)N1CCC[C@@](Cc2cn(Cc3cccs3)nn2)(C(=O)O)C1 1875325358 WCUSPAVBAPJJPG-LIRRHRJNSA-N 404.492 1.660 0 50 HDAA CCN1CCC[C@@H](n2cc([C@H]3CCN(C(=O)c4ccc5c(c4)C(=O)NC5)C3)nn2)C1=O 1875359698 MXTMWQMCGWDDNF-QFBILLFUSA-N 422.489 1.335 0 50 HDAA COC(=O)[C@@H]1Cc2nc[nH]c2CN1C(=O)c1ccc2nnc(-c3cccn3C)n2c1 1940196357 FPYJEFWJTUXZQZ-INIZCTEOSA-N 405.418 1.198 0 50 HDAA COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)N2CCC(OC)CC2)c(OC)c1 11999015 FODCCOSWCVBALM-GOSISDBHSA-N 405.495 1.032 0 50 HDAA CC[C@@H](C(=O)NCCN1CCOCC1)N(c1cccc(Cl)c1)S(C)(=O)=O 13712813 HPXMQFXVFLJLOE-INIZCTEOSA-N 403.932 1.333 0 50 HDAA Cc1cccc(CN2CCN(Cc3ccc(N4CCNC4=O)cc3)C[C@@H]2CCO)n1 19939218 BUYFDNDXOVZQGT-QFIPXVFZSA-N 409.534 1.988 0 50 HDAA Cc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)N(C)CCCCN2CCOCC2)cc1 20452391 HQBGAVXELPGWEC-NRFANRHFSA-N 416.566 1.256 0 50 HDAA CCS(=O)(=O)N1CCC(C(=O)NCc2ccccc2CN2CCOCC2)CC1 24379730 GBFNGJHXNUBMMP-UHFFFAOYSA-N 409.552 1.197 0 50 HDAA O=C(c1nc2ccccn2c1CN1CC[C@@H](O)C1)N1CCN(C2CCCCC2)CC1 71682114 DDQJERQYFPMRBE-LJQANCHMSA-N 411.550 1.991 0 50 HDAA Cn1nccc1C(=O)N1CCC(N2CCC[C@@H](C(=O)NCc3ccccn3)C2)CC1 82127473 IGPNENHWBRVIEJ-QGZVFWFLSA-N 410.522 1.448 0 50 HDAA O=C(Cc1ccc(F)cc1)NCCc1nnc2n1CCN(Cc1nccs1)CC2 299756586 HMHNAMYWRCYVPU-UHFFFAOYSA-N 414.510 1.833 0 50 HDAA COc1ccc2cnn(CC(=O)N[C@H](C)c3nnc4ccccn34)c(=O)c2c1OC 334161999 MALSRCPKLVAHMK-GFCCVEGCSA-N 408.418 1.334 0 50 HDAA CCC(=O)N1CCC(C(=O)N2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)CC1 822529846 WFUSDTYUGUXQPW-UHFFFAOYSA-N 423.535 1.177 0 50 HDAA O=C(NCc1ccc2nc(O)[nH]c2c1)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 827748260 IBBQLSGPJQQNFY-KRWDZBQOSA-N 418.450 1.877 0 50 HDAA CN1N=C(C(=O)N2CCC(CNC(=O)COc3cccc(F)c3)CC2)CCC1=O 827841807 DRPXYHUQELFEBG-UHFFFAOYSA-N 404.442 1.168 0 50 HDAA O=C(CCc1nc2ccccc2s1)N1C[C@@H]2CN(Cc3cnc[nH]3)C[C@]2(CO)C1 1772810603 NFYJJKSXWSYHBO-YCRPNKLZSA-N 411.531 1.905 0 50 HDAA COc1ccc(CN2C[C@@H]3CN(C(=O)Cn4cc(C)c(O)nc4=O)CC[C@@H]32)c(F)c1 1775979315 ZMCUTXWVQZPDBY-YJBOKZPZSA-N 416.453 1.138 0 50 HDAA CS(=O)(=O)NCCNC(=O)[C@@H]1CCCN(c2nc3cc(Cl)ccc3o2)C1 1857716322 HDJNHMLZMNYGLD-LLVKDONJSA-N 400.888 1.363 0 50 HDAA Cc1ncc(-c2nccn2C[C@H]2CN(CC3CCN(CC4CC4)CC3)C(=O)CO2)cn1 1857729533 OWWOHBAVZUMBFL-NRFANRHFSA-N 424.549 1.998 0 50 HDAA O=c1cc(CN2C[C@H](O)[C@]3(C2)[C@H](c2ccccc2)[C@H]3CO)nc2ccc(Cl)cn12 1857736880 ZYSBPIGFBQSFEC-GMQQQROESA-N 411.889 1.917 0 50 HDAA Cc1nnc(N2C[C@@H](C(=O)N3CCCN(c4ccncc4C)CC3)CC2=O)s1 1875243281 ZLOLOWWRJKRVOI-HNNXBMFYSA-N 400.508 1.642 0 50 HDAA O=C1CC[C@H](N2Cc3c(cccc3-n3cc(-c4ccc(F)cn4)nn3)C2=O)C(=O)N1 1875356510 OZHANKPHOMDQRU-KRWDZBQOSA-N 406.377 1.229 0 50 HDAA CCn1nc(C)c(CNC(=O)[C@H]2OCC(=O)N[C@@H]2c2ccc(OC)c(OC)c2)c1C 2100473705 VWBOCLGVOAJGLG-UXHICEINSA-N 416.478 1.410 0 50 HDAA COc1ccc([C@H]2NC(=O)CO[C@@H]2c2nc(CC(N)=O)nn2C(C)(C)C)cc1OC 2100554781 BRJYTXDMGVCHGF-MSOLQXFVSA-N 417.466 1.007 0 50 HDAA O=C1CC[C@@H](N2Cc3ccc(C(=O)Nc4cn(CC5CCC5)cn4)cc3C2=O)C(=O)N1 2325895966 NRFHVVWGKJQXOL-QGZVFWFLSA-N 421.457 1.697 0 50 HDAA O=C1CC[C@H](N2Cc3cc(C(=O)N4CCC[C@@H]5CCOC[C@@H]54)ccc3C2=O)C(=O)N1 2325901755 WTOFTMBAFLJTQE-BVGQSLNGSA-N 411.458 1.089 0 50 HDAA CCCO[C@@H]1CC[C@H](C(=O)NCc2cn(CC)cn2)C[C@H]1NC(=O)c1cc[nH]n1 2356143985 FNKUTKIRNXDHTK-BMGDILEWSA-N 402.499 1.636 0 50 HDAA CC(C)c1cc(C(F)(F)F)nc(N2CCN(C(=O)[C@@H]3CN(C)CC[C@H]3O)CC2)n1 2356151345 DZQPGETVHYCPCM-UKRRQHHQSA-N 415.460 1.580 0 50 HDAA Cn1ncc(NC(=O)Cn2nc(C(F)F)c(Br)c2C2CC2)c1C(N)=O 2787642 NSBQMTBLISVMRI-UHFFFAOYSA-N 417.214 1.932 0 50 HDAA CC1(C)NC(=O)N(C[C@@H](O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)C1=O 3111433 FGOHOFBQUMXEKS-MRXNPFEDSA-N 417.487 1.573 0 50 HDAA COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NCc2n[nH]c3c2CCC3)cc1C 11936122 HQFQUTFNWBDIKO-LJQANCHMSA-N 411.506 1.222 0 50 HDAA COc1ccc(-c2ccnc(-n3ncc(C(=O)N4CCN(C=O)CC4)c3C)n2)cc1F 12338071 VDEQEALFKPSJOF-UHFFFAOYSA-N 424.436 1.700 0 50 HDAA CCN(CC)C(=O)Cn1cc(C(=O)N2CCCC[C@H]2CCN2CCCC2=O)nn1 12761744 ONRHBSAMOKOMRA-INIZCTEOSA-N 404.515 1.154 0 50 HDAA CC[C@@H](C)C(=O)NCc1nnc2n1CCN(C(=O)c1c(OC)cccc1OC)CC2 14959188 UKWADDRNEGJICO-CQSZACIVSA-N 415.494 1.656 0 50 HDAA O=C(NN1C(=O)c2ccccc2C1=O)c1ccc2c(c1)C(=O)N(c1nccs1)C2=O 16133899 IYYJTUBPNXQNKN-UHFFFAOYSA-N 418.390 1.885 0 50 HDAA CCOC(=O)N1CCC(NC(=O)C[C@@H]2C(=O)NCCN2Cc2cccs2)CC1 55244364 HEVZUTCWYKTLAE-MRXNPFEDSA-N 408.524 1.176 0 50 HDAA O=C1CN(C[C@@]2(O)CCCN(CCc3ccccc3)C2=O)CCN1c1ccccc1 67833616 YOUZVBXNHZGBPP-DEOSSOPVSA-N 407.514 1.931 0 50 HDAA Cn1c(S)nc(O)c(C(c2ccc(F)cc2)c2c(O)nc(S)n(C)c2=O)c1=O 101351498 KAQWXRFUWQNBCY-UHFFFAOYSA-N 422.463 1.182 0 50 HDAA CS(=O)(=O)NCc1ccc(C(=O)N2CCC([C@@H]3C(=O)Nc4ccccc43)CC2)o1 440598258 VGHQNYHOINKAMS-SFHVURJKSA-N 417.487 1.917 0 50 HDAA C[C@H](NC(=O)C(=O)Nc1ccccc1N1CCN(C)CC1)c1nnc2ccccn12 915749174 BLXXWDBMXOPVRQ-HNNXBMFYSA-N 407.478 1.297 0 50 HDAA CN(C)c1nc2c(c(N3C[C@@H]4CN(Cc5ccns5)C[C@@]4(CO)C3)n1)CCCC2 1772809824 FMEOMOSNDALFOH-BTYIYWSLSA-N 414.579 1.809 0 50 HDAA O=C(c1cc(N2CCOCC2)no1)N1CCC(c2nnc3n2CCCCC3)CC1 1772816079 GXTQBZKNAGXLLD-UHFFFAOYSA-N 400.483 1.849 0 50 HDAA CN1CCN(CCCOc2ccccc2CN2C[C@@H]3CCOC[C@]3(C(=O)O)C2)CC1 1857669629 XIIJIIOCTBOBCT-NZQKXSOJSA-N 417.550 1.626 0 50 HDAA CCn1cc(CN2CCC3(CC2)OCCc2cc(C(=O)NCCO)sc23)cn1 1857707343 OUIXXFLLNMSABJ-UHFFFAOYSA-N 404.536 1.751 0 50 HDAA CCN1CCN(CCOc2ccccc2CN2CC[C@@]34OCCN3C(=O)C[C@@H]24)CC1 1857714485 BJLSMVUIMJMDQL-GGAORHGYSA-N 414.550 1.236 0 50 HDAA CCCC[C@@H](N)C(=O)N1CCC2(CCc3c(O)nc(N4CCOCC4)nc32)CC1 1857737566 SPWZDXNDCVPNCO-MRXNPFEDSA-N 403.527 1.343 0 50 HDAA CCN(C)CC(=O)NC[C@H]1[C@H]2CN(C(=O)Cc3cccc(OC)c3)C[C@]23CC[C@H]1O3 1857737769 CAFAVSATPNLOHF-DZCCDHAISA-N 415.534 1.312 0 50 HDAA O=C(CCn1cnccc1=O)N[C@H](C(=O)O)c1ccc(Cl)c(Br)c1 2325851965 OHSVPQKUMMLFAF-AWEZNQCLSA-N 414.643 1.991 0 50 HDAA CCn1ncc(S(=O)(=O)N2CCC[C@@]3(CCc4cnc(N(C)C)nc43)C2)c1C 2356153613 NWTSRMMQUTXHGU-LJQANCHMSA-N 404.540 1.736 0 50 HDAA NC(=O)COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCc2ccsc23)cc1 2356168463 FBMCHQDBDRFAJO-UHFFFAOYSA-N 422.528 1.865 0 50 HDAA CC(=O)NS(=O)(=O)c1ccc(NC(=S)NC(=O)CCc2ccccc2)cc1 1130800 KDISJXGRRJQETE-UHFFFAOYSA-N 405.501 1.957 0 50 HDAA CCN(CC)C(=O)C1CCN(S(=O)(=O)c2ccc([C@H]3CNC(=O)C3)cc2)CC1 1444267 ZVDOBXMNWGTMPK-QGZVFWFLSA-N 407.536 1.559 0 50 HDAA O=C(O)c1ccccc1C(=O)Nc1nnc(SCC(=O)N2CCOCC2)s1 9969679 IYJKZAOXKHTYKA-UHFFFAOYSA-N 408.461 1.440 0 50 HDAA Cc1cccc(CN2CCC[C@@]3(CCN(C(=O)CCn4ccc(=O)[nH]c4=O)C3)C2)c1 12706966 IRVPJGOZWHNHIS-HSZRJFAPSA-N 410.518 1.750 0 50 HDAA CC[C@@H]1C(=O)NCCN1C(=O)c1ccc(OC)c(OC2CCN(C(C)=O)CC2)c1 15065605 CWIZYGZTXYYKNH-QGZVFWFLSA-N 403.479 1.436 0 50 HDAA CCOC(=O)N1CCN(Cc2c(C(=O)N3CCOCC3)nc3ccccn23)CC1 23337926 JTCISNGPVGUYKL-UHFFFAOYSA-N 401.467 1.081 0 50 HDAA CN(C(=O)C[C@H]1C(=O)NCCN1Cc1ccccn1)C1CC(C)(C)NC(C)(C)C1 55226544 QZUMZQRJRHMTOZ-SFHVURJKSA-N 401.555 1.540 0 50 HDAA Cc1noc(C)c1CN(C)C(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(Cc4cccnc4)C(=O)[C@@H]13)O2 77388777 BIXCEGBBKVOWQT-VWNVYAMZSA-N 408.458 1.627 0 50 HDAA CN(C)[C@H]1CCN(S(=O)(=O)c2ccc3c(c2)CN(C(=O)c2ccncc2)CC3)C1 77556513 ZGKCCIVXJOXCCV-IBGZPJMESA-N 414.531 1.605 0 50 HDAA Cc1c(Br)c(C(=O)NN2C(=O)[C@H]3[C@H]4C=C[C@H]([C@H]3C2=O)[C@@H]2C[C@@H]42)nn1C 239306142 GLYFZMQSXUISGI-SDONNHMOSA-N 405.252 1.189 0 50 HDAA O=c1n(-c2ccccc2)c(=O)n2n1[C@H]1[C@H]3C4C5[C@@]16CN(Cc1ccccc1)C[C@@]56[C@@H]2[C@@H]43 253616569 CMWPJGHOYGAVMB-KJDOUUGOSA-N 410.477 1.904 0 50 HDAA CS(=O)(=O)c1ccc(CNC(=O)N2CCC[C@H](Cn3ccnn3)C2)cc1Cl 429157871 BJXDCJWBNBXHPD-AWEZNQCLSA-N 411.915 1.957 0 50 HDAA CS(=O)(=O)c1ccc(S(=O)(=O)N2CCc3nc[nH]c3[C@@H]2c2cccnc2)cc1 952969883 PMLFTRXNGLMZQC-SFHVURJKSA-N 418.500 1.545 0 50 HDAA O=S(=O)(N1CCCCC1)N1CCN(c2cc(O)nnc2-c2ccccc2)CC1 1506402802 LTRLCLCYVZBKQC-UHFFFAOYSA-N 403.508 1.702 0 50 HDAA COc1nc2c(cc1CN1C[C@H](O)[C@H](Cc3cc(C)no3)C1)C(=O)N(C(C)C)C2 1857733901 DXYXZDHOQKPFMQ-KUHUBIRLSA-N 400.479 1.786 0 50 HDAA NCc1cccc(C(=O)N2CCC3(CCc4c(O)nc(N5CCOCC5)nc43)CC2)c1 1857738776 YBFAZNRJSNWYPF-UHFFFAOYSA-N 423.517 1.598 0 50 HDAA Cc1nc2c(c(=NCc3ccon3)[nH]1)CC[C@@]21CCCN(C(=O)c2cnccn2)C1 1875245301 UBAXYEVJAOPBPX-OAQYLSRUSA-N 405.462 1.717 0 50 HDAA CN(C)CCOCCC(=O)N[C@@H]1C[C@H](N=c2[nH]c(Cl)nc3[nH]ccc23)C1(C)C 1875325960 IHJOOPBFMMERDD-KGLIPLIRSA-N 408.934 1.697 0 50 HDAA C[C@@H]1[C@H](C(=O)N2CCC[C@](C)(CNC(=O)c3cnn4c3OCCC4)C2)CCN1C 1875330639 WKRSVNLGAXXYAB-WHSLLNHNSA-N 403.527 1.364 0 50 HDAA CC(=O)N[C@@H]1[C@H](OCc2ccccc2)[C@H](O)[C@H](CO)O[C@H]1OCc1ccccc1 5900086 IYODMICTBRMKGJ-AHJNKEMKSA-N 401.459 1.371 0 50 HDAA NCCCC[C@@H](N[C@@H](CCc1ccccc1)C(=O)O)C(=O)N1CCC[C@H]1C(=O)O 9212370 RLAWWYSOJDYHDC-SQNIBIBYSA-N 405.495 1.235 0 50 HDAA in-vitro O[C@@H](c1cccnc1)C1CCN(c2nc3nonc3nc2N2CCSCC2)CC1 12448904 NPCFJZNUKDEHRG-OAHLLOKOSA-N 413.507 1.911 0 50 HDAA Cc1c(C(=O)N2CCN(CCO)CC2)sc2ncnc(NCc3ccco3)c12 19770962 KTIJHFLSBJFGOI-UHFFFAOYSA-N 401.492 1.955 0 50 HDAA O=C1C[C@@H](N2CCSCC2)C(=O)N1c1ccc(I)cc1 19782426 OEWFLINOZNOJAE-GFCCVEGCSA-N 402.257 1.972 0 50 HDAA COCCS(=O)(=O)c1ncc(CN2CCCN(C=O)CC2)n1Cc1ccccc1 20907424 HZICICRYCWZPQX-UHFFFAOYSA-N 420.535 1.016 0 50 HDAA COC(=O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)[C@H](C)O 239173708 OMKRBKCACLLUKJ-ZYSHUDEJSA-N 414.458 1.563 0 50 HDAA C[C@H](C(=O)OCc1cccc(S(=O)(=O)N(C)C)c1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 241277614 LHPKOEPLRWJTGZ-KBRIMQKVSA-N 422.503 1.544 0 50 HDAA CN1CCN(C(=O)[C@H]2CC[C@H](CNC(=O)CNC(=O)c3ccccc3)CC2)CC1 245256136 OBAIKLCGNVJAQR-UAPYVXQJSA-N 400.523 1.113 0 50 HDAA Cc1cn2nnc(C(=O)N3CCC(C(=O)N[C@@H]4CCc5ccccc54)CC3)c2c(O)n1 263616275 HWBJIXWUTBBFKG-QGZVFWFLSA-N 420.473 1.794 0 50 HDAA NS(=O)(=O)c1ccc(CNC(=S)Nc2ccc(N3CCC(O)CC3)cc2)cc1 726463743 XYIWRZXGJZQDJT-UHFFFAOYSA-N 420.560 1.782 0 50 HDAA CNC(=O)c1ccc(S(=O)(=O)NCCc2nc(-c3ccc(C)cc3)no2)cc1 1506415120 LPKJNVFZNRDPAL-UHFFFAOYSA-N 400.460 1.926 0 50 HDAA CSCC(=O)N1C[C@H]2CN(Cc3cc(C(N)=O)oc3C(C)(C)C)C[C@@]2(CO)C1 1772712830 RBHIJKKPMVAUTJ-VLIAUNLRSA-N 409.552 1.292 0 50 HDAA Cn1ncc2c1CCN[C@H]2C(=O)N1CCO[C@H](c2ccccc2Br)C1 1857530274 LHXMWUSKNGPHEC-DLBZAZTESA-N 405.296 1.970 0 50 HDAA CCc1cc(C(=O)NC[C@H]2CN(CC3CCN(CC4CC4)CC3)C(=O)CO2)n[nH]1 1857680378 HZGGANHRIXWNCG-SFHVURJKSA-N 403.527 1.051 0 50 HDAA CC(C)(C)CC(=O)NCC(=O)N1CC[C@@H]2CN(C(=O)c3cccc4[nH]ncc34)C[C@@H]21 1875326486 FPXLVMZIWYPCOI-KDOFPFPSSA-N 411.506 1.788 0 50 HDAA C=CC(=O)NC[C@@H](NC(=O)CN1CCCCS1(=O)=O)c1ccc2ccccc2c1 1875385840 CWTVGSHAIAPPIE-LJQANCHMSA-N 415.515 1.725 0 50 HDAA CC(C)CC[C@@]1(C(=O)O)CN(S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)CC[C@@H]1O 2356162112 XZFPFZJZXGWUEV-FXAWDEMLSA-N 424.519 1.834 0 50 HDAA CS(=O)(=O)c1cc(S(=O)(=O)NCc2cccnc2)ccc1Br 6697683 YQUJXFOCYPWRGS-UHFFFAOYSA-N 405.295 1.726 0 50 HDAA COc1ccc(CCN(C)[C@H]2CCCN(C(=O)CCn3cnnn3)C2)cc1OC 11815037 JUQHSHHKKYEJDL-KRWDZBQOSA-N 402.499 1.246 0 50 HDAA COCCN1C(=O)C[C@@H](C(=O)OC)C12CCN(C(=O)c1cccc(F)c1F)CC2 11882132 UZYWDKQCCPMAIN-AWEZNQCLSA-N 410.417 1.608 0 50 HDAA CS(=O)(=O)c1ncc(CN2CCC(N3CCCCC3)CC2)n1C[C@H]1CCCO1 12302273 QISKIPVHVHSVDU-LJQANCHMSA-N 410.584 1.916 0 50 HDAA Cc1ccc(C(=O)N2CCN3C(=O)[C@H]([C@@H](C)OCc4ccccc4)NC(=O)[C@H]3C2)cc1 14540834 ROVBHEXSYCTVEB-UIFIKXQLSA-N 421.497 1.752 0 50 HDAA C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CCC(=O)OCc1ccccc1)C(=O)O 34609054 OZFKECLMHVFMHE-DZGCQCFKSA-N 408.451 1.993 0 50 HDAA in-vitro Cc1ccc(N2C[C@]34C=C[C@H](O3)[C@H](C(=O)N(C)CCn3cccn3)[C@@H]4C2=O)cc1C 77439701 FUIXIQDWTXWBDN-GJPOJAMWSA-N 406.486 1.945 0 50 HDAA CN1CCN([C@H]2CCN(S(=O)(=O)c3cccs3)C[C@H]2CCC(=O)O)CC1 95352071 AEQFCYPOVHKIPK-CABCVRRESA-N 401.554 1.240 0 50 HDAA COc1c2n(cc(C(=O)NCc3ccc(F)cc3F)c1=O)C[C@H]1OC[C@H](C)N1C2=O 199451366 OMCFLPVOHDWRNN-ZUZCIYMTSA-N 419.384 1.266 0 50 HDAA CSCC[C@H](C(=O)NCc1nnc2ccccn12)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 247492491 BZGHBENUAGDOCI-RBSFLKMASA-N 415.519 1.642 0 50 HDAA CC(C)Cc1n[nH]c(NC(=O)C[C@H]2N=C(O)N(CCc3cccc(F)c3)C2=O)n1 252540583 POMRVUVTVNEKQN-CQSZACIVSA-N 402.430 1.838 0 50 HDAA O=C([C@H]1CN(S(=O)(=O)c2ccccc2Cl)CCO1)N1CCN(C2CC2)CC1 253427151 LIXGAWSVIKCOOE-MRXNPFEDSA-N 413.927 1.036 0 50 HDAA O=C1N[C@@H](Cc2nc([C@@H]3CCC(=O)N(CC4CCC4)C3)no2)C(=O)Nc2ccccc21 904836002 OJUQUVAXMYUNGJ-PBHICJAKSA-N 423.473 1.869 0 50 HDAA O=C1C[C@@H](C(=O)Nc2ccc(OCC(=O)N3CCOCC3)cc2)C2(CCCC2)O1 952868993 FXDALJWRSSUACP-KRWDZBQOSA-N 402.447 1.739 0 50 HDAA COCCC(=O)N[C@@H]1CN(C(=O)c2ncoc2-c2ccc(OC)cc2)CC[C@@H]1O 1857677105 XGCHFPOOIPLMLB-CVEARBPZSA-N 403.435 1.078 0 50 HDAA CCOC(=O)[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CCN(C(=O)c1cccc(O)n1)C2 1857690575 NZDRWXPPIBZQRJ-DRSNIGMVSA-N 417.506 1.684 0 50 HDAA Cc1ccc(CN(C)C(=O)C(=O)NC[C@@H]2CS(=O)(=O)c3ccccc3O2)cc1 1875319032 XJPSQQZLXWZZII-MRXNPFEDSA-N 402.472 1.305 0 50 HDAA CNC(=O)NC[C@@H]1CN(C(=O)c2cc3c(O)nc4ccccc4c3s2)CCO1 2325873090 YYAGVFNFRWKMRH-LLVKDONJSA-N 400.460 1.925 0 50 HDAA CN(C)c1ccc(-c2ccnc(N3CCN(c4ccnc5nncn45)CC3)n2)cc1 2356163911 WUPHDWLVXWQIFB-UHFFFAOYSA-N 401.478 1.974 0 50 HDAA Cn1c(=O)[nH]c(=O)c2c1nc(N1CCCCCC1)n2C[C@H](O)COc1ccccc1 625903 HBPRUXIBKWXSSG-HNNXBMFYSA-N 413.478 1.244 0 50 HDAA O=C(C[C@@H]1C(=O)NCCN1C1Cc2ccccc2C1)NCCCOc1cccnc1 12441714 AXBZAPKAUAFLPA-OAQYLSRUSA-N 408.502 1.325 0 50 HDAA COc1ccc(CN(C)Cc2cnn(C)c2)c(OC[C@H](O)CN2CCN(C)CC2)c1 20782572 SWYQMXOYOQTTIM-HXUWFJFHSA-N 417.554 1.048 0 50 HDAA CC(=O)N[C@H]1[C@@H](O)O[C@@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@@H]1OC(=O)c1ccccc1 44608187 GFPZIAKCJILCRW-BHNQRHOYSA-N 413.426 1.548 0 50 HDAA in-vitro Cc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NCc2cn3ccc(C)cc3n2)cc1 67755276 WFVOBAUCZWABLG-HXUWFJFHSA-N 405.502 1.958 0 50 HDAA O=C([C@@H]1[C@@H]2C=C[C@@]3(CN(CCc4ccncc4)C(=O)[C@H]13)O2)N1CCc2ncccc2C1 77378904 OKRJBCHVHJLPMS-XARGGIHNSA-N 416.481 1.386 0 50 HDAA O=C1C[C@H](N2CCN(c3ncccn3)CC2)C(=O)N1c1ccc(Br)cc1 100308817 JRECVJDPVMANEX-HNNXBMFYSA-N 416.279 1.693 0 50 HDAA Cc1nc2ccccc2n1CCNC(=O)CC[C@H]1NC(=O)c2ccccc2NC1=O 169772693 WOXRFRDKCRSJNU-GOSISDBHSA-N 405.458 1.992 0 50 HDAA O=C(C[C@@H]1NC(=O)c2ccccc2NC1=O)NCc1nc(Cc2ccccc2)no1 886025680 TUQLPDLGBYWGRZ-INIZCTEOSA-N 405.414 1.417 0 50 HDAA CN(C(=O)c1cccnc1SCCc1ccccc1)[C@@H]1CS(=O)(=O)C[C@H]1O 1506402005 HAWCBKBCEDVNQE-IAGOWNOFSA-N 406.529 1.646 0 50 HDAA COc1cc(CN2C[C@@H]3CN(C(=O)Cc4[nH]cnc4C)C[C@@]3(CO)C2)ccc1F 1772804717 DCJMLRAOIAVFPP-IIBYNOLFSA-N 402.470 1.361 0 50 HDAA CCOC(=O)[C@]1(CC)C[C@@H]2CC[C@H]1N2S(=O)(=O)c1ccc(OC)c(C(=O)NC)c1 1857667679 CLPJISYMEKRDAQ-WSXQUGQNSA-N 424.519 1.940 0 50 HDAA Cn1cncc1C(=O)N1CC[C@@H]2C[C@@H](N3CCOCC3)CC[C@@]2(C(=O)NC2CC2)C1 1857698824 JTCJJNFWOPEWAK-TVTNDZMWSA-N 415.538 1.032 0 50 HDAA CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)CCc1ccc(-c2cccs2)o1 1875244433 KAXJOVZKTRRIRB-DZGCQCFKSA-N 412.533 1.963 0 50 HDAA O=C(Nc1cn(CC(F)(F)F)nc1C1CC1)C(=O)N1CCC[C@H]1C1OCCO1 1875330338 OFHFYFLXSWXZHL-LBPRGKRZSA-N 402.373 1.625 0 50 HDAA Cc1cn2c(n1)CC[C@H](NC(=O)C1(C(=O)N[C@@H]3CCc4nc(C)cn4C3)CCC1)C2 2325740494 MKETYUIBBFKSDT-CALCHBBNSA-N 410.522 1.429 0 50 HDAA Cc1c(C(=O)NS(=O)(=O)Cc2ncsc2Br)cnc2ccnn12 2325820064 ZBBDYUFRTUEWDL-UHFFFAOYSA-N 416.282 1.517 0 50 HDAA COC(=O)c1nc(N2CCN(c3ccc(-n4cccn4)nn3)CC2)c2sccc2n1 2325863653 RFCHWLGOUROSAX-UHFFFAOYSA-N 422.474 1.780 0 50 HDAA O=C1CC[C@H](N2C(=O)c3ccc(C(=O)N4CCCCCCCC4)cc3C2=O)C(=O)N1 2325897896 LXHBGUJMAKGLQQ-KRWDZBQOSA-N 411.458 1.884 0 50 HDAA CO[C@@H]1CC[C@H](C(=O)NCc2cnc3cnccn23)C[C@H]1NC1CCN(C)CC1 2356133732 ALJKUJPYOCNCLR-KFKAGJAMSA-N 400.527 1.213 0 50 HDAA CN(C)S(=O)(=O)N[C@@H]1CCC[C@@H](CN2CCN(c3ccc(Cl)cn3)CC2)C1 2356159868 TWJWUFPYCHIWOL-NVXWUHKLSA-N 415.991 1.812 0 50 HDAA CC(C)C(=O)N1CCN(CCOc2cccc(CN(C)C[C@@H]3CCC(=O)N3)c2)CC1 11783263 SWASRMUZJBVKCU-FQEVSTJZSA-N 416.566 1.576 0 50 HDAA CCOC(=O)Cc1csc(NC(=O)CSc2nc3c(c(=O)[nH]2)CCCC3)n1 11905504 JJTUDTAVNQDUPI-UHFFFAOYSA-N 408.505 1.942 0 50 HDAA COCC(=O)N[C@@H](c1nnc2n1CCN(Cc1ccc(O)cc1OC)CC2)C(C)C 11972462 FZWIOEZDNIZKIU-HXUWFJFHSA-N 417.510 1.510 0 50 HDAA CN(Cc1ccc2nonc2c1)C(=O)[C@@H]1CCC(=O)N(CCCN2CCCC2=O)C1 12076837 KHSRBLLKFSEGQQ-MRXNPFEDSA-N 413.478 1.432 0 50 HDAA COc1cc(OC)cc(C(=O)NC[C@H]2CCCN(C(=O)CN3CCCCC3=O)C2)c1 12459653 DCARGCPELIXMHA-MRXNPFEDSA-N 417.506 1.685 0 50 HDAA O=C(C[C@H]1C(=O)NCCN1Cc1ccccc1)NCCCn1ncc2ccccc21 12576030 TZUPAFVLYSGADO-NRFANRHFSA-N 405.502 1.933 0 50 HDAA CC(=O)NCCNC(=O)c1cc(NCc2ccsc2)cc(S(=O)(=O)N(C)C)c1 14747590 ARBNRFKJXWMBNB-UHFFFAOYSA-N 424.548 1.476 0 50 HDAA CC(C)=CCn1c(-c2ccc(F)cc2)cn2cc(C(=O)NC[C@@H](O)CO)nc2c1=O 72457304 KEPLBNYHYZFCCH-MRXNPFEDSA-N 414.437 1.351 0 50 HDAA COC(=O)c1c[nH]c(C(=O)OC)c1NS(=O)(=O)c1ccc(OC)c(F)c1C 170610499 LAAGVCUROGXGLC-UHFFFAOYSA-N 400.384 1.845 0 50 HDAA CC1(C)O[C@@H]2O[C@H](C(=O)Nc3ccc4c(c3)OCCO4)[C@@H]3OC(C)(C)O[C@H]3[C@@H]2O1 239378237 OLTGMPCSJLZDJI-LFRCEIEQSA-N 407.419 1.793 0 50 HDAA biogenic Cn1c(=O)c2sccc2n2c(CN3CCC[C@@H]([C@@H](O)C(F)(F)F)C3)nnc12 444731421 VGPBMAUEKOFNJP-NOZJJQNGSA-N 401.414 1.778 0 50 HDAA C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1cccc(C(=O)N[C@H]2CN(C3CC3)C[C@H]2C)n1 467720429 OBRFZKMFEPYPSE-LYDRAKHJSA-N 411.550 1.507 0 50 HDAA COCCN1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccccc2OC(F)F)CC1 498458049 RIRUVYMOSGFQCF-INIZCTEOSA-N 411.449 1.683 0 50 HDAA O=C(NC12C[C@@H]3C[C@H](C1)CC(n1ncnn1)(C3)C2)c1ccc2c(c1)ncn2CCO 670468598 MFMNPSUZFURDMP-XFKLWTPLSA-N 407.478 1.493 0 50 HDAA COc1ccc([C@@H]2[C@@H](CO)OCCN2C(=O)CNC(=O)c2ccccc2)cc1OC 1529186115 VXAQRBSXVFRTOW-TZIWHRDSSA-N 414.458 1.395 0 50 HDAA Cc1cc(NC(=O)CN2C[C@H]3CN(Cc4cc[nH]n4)C[C@]3(CO)C2)ccc1Cl 1772809248 QOZAULNVAYEEJR-FOIQADDNSA-N 403.914 1.736 0 50 HDAA COc1cc2c(cc1OC)C1(CCN(S(=O)(=O)N3CCOCC3)CC1)OCC2 2356146628 NPFKOHJZUJZGHF-UHFFFAOYSA-N 412.508 1.145 0 50 HDAA Cn1c(=O)[nH]c(=O)c2c1nc(NCc1ccccc1)n2CC(=O)NCc1ccccc1 633061 PYJRZVNILXAZAB-UHFFFAOYSA-N 418.457 1.352 0 50 HDAA O=C(CCC(=O)N1CCN(c2ccccn2)CC1)N1CCN(c2ccccn2)CC1 4721796 LPRKHLJLLCEMOM-UHFFFAOYSA-N 408.506 1.254 0 50 HDAA CN(CCCn1cccn1)C(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(c4ccc(F)cc4)C(=O)[C@H]13)O2 77422282 DOEXFNVXCJVUFY-OZIGNCPNSA-N 410.449 1.857 0 50 HDAA CC(C)OCC(=O)N1CCC(N2CCC[C@H](C(=O)NCc3ccccn3)C2)CC1 82109468 QONMANOPVNMKIM-SFHVURJKSA-N 402.539 1.826 0 50 HDAA O=C(/C=C/c1ccccc1)N1CCN(CCN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)CC1 105190748 MNSVLHIUWLCFEO-DJPYYCFSSA-N 405.498 1.651 0 50 HDAA COc1ccc(CCNC(=O)[C@H]2[C@@H]3C(=O)N(Cc4ccco4)C[C@@]34C=C[C@H]2O4)cc1 227128884 OGMHKZMTPVWMHG-URFJDIBFSA-N 408.454 1.929 0 50 HDAA CCc1nc(CN2CCC(N3C[C@@H](COc4ccc(F)cc4)OCC3=O)CC2)n[nH]1 299775345 BJDKDTNWEJBIHB-SFHVURJKSA-N 417.485 1.777 0 50 HDAA COc1ccc(C2(c3nc(CC(N)=O)nn3C[C@H]3COCCO3)CCCC2)cc1 584902185 AZUWRPBYJOUBJQ-KRWDZBQOSA-N 400.479 1.590 0 50 HDAA CCN(CC)CCN(C(=O)c1cncc(-c2cnn(C)c2)c1)[C@@H]1CCS(=O)(=O)C1 678091332 OKZCCLFSEHGEHG-LJQANCHMSA-N 419.551 1.453 0 50 HDAA Cc1nccn1-c1ccc(CNC(=O)CN2C(=O)NC3(C[C@@H](C)C[C@H](C)C3)C2=O)cn1 756937551 AQTPAMSOGOPPKP-GJZGRUSLSA-N 424.505 1.939 0 50 HDAA CC(C)[C@H](CNS(=O)(=O)c1ccc(NS(=O)(=O)N(C)C)cc1)N1CCCC1 820696225 CMJROKIYEOOWLU-KRWDZBQOSA-N 418.585 1.304 0 50 HDAA CN(c1ccc(C(=O)N2CCCN(C(=O)c3ccco3)CC2)cc1)S(C)(=O)=O 1506430267 AELXLTBRKYFPHR-UHFFFAOYSA-N 405.476 1.664 0 50 HDAA Cc1ccc(-n2cccn2)cc1S(=O)(=O)N1CCOC[C@H](CN2CCCC2)C1 1857714930 SUUGBUKTUPRMJV-GOSISDBHSA-N 404.536 1.914 0 50 HDAA CCOC(C)(C)C(=O)N1CCO[C@@H](CN2CCCN(C)CC2)[C@@H]1c1cnn(C)c1 1857718396 HSHJEMXRXOQXLX-OALUTQOASA-N 407.559 1.141 0 50 HDAA O=C(CCn1cnnn1)N1CCC2(CCc3c(O)nc(-c4ccccc4)nc32)CC1 1857735977 KIQKVIWKNXQEDD-UHFFFAOYSA-N 405.462 1.732 0 50 HDAA Cc1ccc(C(=O)NCc2cn(-c3cnccc3C(=O)O)nn2)cc1S(C)(=O)=O 1875356784 XFMMTOCFBZJAMU-UHFFFAOYSA-N 415.431 1.002 0 50 HDAA C=CC(=O)N1CCC[C@H](C(=O)N(C)CC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)C1 1875371520 DPFZJQXYNBGWQE-HOTGVXAUSA-N 412.490 1.633 0 50 HDAA CCOC(=O)c1cc(C(=O)N2C[C@@H](C)[C@@H](n3cc(-c4cccc(N)c4)nn3)C2)[nH]n1 2325872688 JOSYZCRENZANEF-XIKOKIGWSA-N 409.450 1.760 0 50 HDAA CCc1nc(-c2ccc3nnc([C@H](O)C(C)C)n3c2)n(-c2ccc3nncn3n2)n1 2356156619 KPPQBLFYVFCXCZ-QGZVFWFLSA-N 404.438 1.667 0 50 HDAA Cc1cc(Cl)c(S(=O)(=O)NCc2ccc(C(=O)O)cc2)cc1OCC(N)=O 2846297 ZATPPEBXJKUXCS-UHFFFAOYSA-N 412.851 1.689 0 50 HDAA COC(=O)Cn1c(=O)c2c(nc3n2CCCN3c2ccc(Cl)cc2)n(C)c1=O 12374076 NZLZHMGEYLQMLR-UHFFFAOYSA-N 403.826 1.265 0 50 HDAA CN(C)CCN(C[C@H]1CCCN(Cc2ccccc2F)C1)C(=O)Cn1cncn1 12594213 ZVLACJDVNMWSNW-SFHVURJKSA-N 402.518 1.720 0 50 HDAA O=C(NC[C@@H]1COCCO1)c1coc(CN2CCN(Cc3ccccc3)CC2)n1 20322229 CZDGNCYRHLIPPB-GOSISDBHSA-N 400.479 1.138 0 50 HDAA CC[C@H](C)CC(=O)N1CCc2c(c(C(=O)NCCC(=O)OC)nn2CC2CC2)C1 20913000 YAHQQIVICMXDHO-AWEZNQCLSA-N 404.511 1.907 0 50 HDAA CCOC(=O)N1CCC(NC(=O)C[C@@H]2C(=O)NCCN2Cc2ccccc2F)CC1 55054704 RWAFMUSCKGNTJR-GOSISDBHSA-N 420.485 1.253 0 50 HDAA Cc1cc(CNC(=O)C[C@@H]2C(=O)NCCN2Cc2c(F)cccc2Cl)nn1C 55360716 ALEYSIXQEAPUNZ-QGZVFWFLSA-N 407.877 1.528 0 50 HDAA O=C(CCn1nnnc1CN1CCOCC1)NCc1ccc(C(F)(F)F)cc1F 67894314 VTURZYBLFYEBDH-UHFFFAOYSA-N 416.379 1.370 0 50 HDAA Cc1cc(F)ccc1N1C[C@]23C=C[C@H](O2)[C@@H](C(=O)N2CCN(C(C)C)CC2)[C@H]3C1=O 77343924 LSWXUZOQJOSWKP-SRYPRDQNSA-N 413.493 1.973 0 50 HDAA COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)CN1CCCC[C@@H]1C)CC2 95528092 VPZPZHARTXQHIG-INIZCTEOSA-N 403.527 1.133 0 50 HDAA CC(C)N1CCC(N2CCN(Cc3cccc(OCCO)c3)C[C@H]2CCO)CC1 104408300 CUZDEKPCWNCESG-JOCHJYFZSA-N 405.583 1.799 0 50 HDAA CC(=O)N1CCc2ccc(S(=O)(=O)N(CCO)c3ccccc3C(=O)O)cc21 328596070 QOGXOMZTLRYXEC-UHFFFAOYSA-N 404.444 1.481 0 50 HDAA CC(C)c1nnc(CN2CCC[C@@H](n3ncc(N4CCN(C)CC4)cc3=O)C2)n1C 328602723 CLRTXSXFNUISIE-QGZVFWFLSA-N 414.558 1.084 0 50 HDAA COc1cc(CN2C[C@@H]3CN(Cc4cc(C)no4)C[C@@]3(CO)C2)cc2c1OCO2 1772708600 DONUGRCMSRUFKA-IIBYNOLFSA-N 401.463 1.647 0 50 HDAA Cc1nc(=N)[nH]cc1C(=O)N1CCC[C@@]2(CCc3c(O)nc(-c4cccnc4)nc32)C1 1857707842 MAFLUNMCVFSZLD-JOCHJYFZSA-N 417.473 1.875 0 50 HDAA O=C(N[C@@H]1CN(C(=O)CCc2ncc[nH]2)C[C@H]1c1ccccc1)c1cncc(O)c1 1875331585 OHCNLUXXVJOMAC-RBUKOAKNSA-N 405.458 1.868 0 50 HDAA O=C(NCc1cccnc1)C1CCN(C(=O)Cc2n[nH]c(=O)c3ccccc23)CC1 13570611 CYJHOLBKHGAEBD-UHFFFAOYSA-N 405.458 1.416 0 50 HDAA NC(=O)NCC(=O)N1CCC[C@@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 72132162 QZTNSHMMUCXEDU-MRXNPFEDSA-N 413.444 1.487 0 50 HDAA CCOc1ccc(C(=O)N2CCN(c3cc(N4CCN(C)CC4)ncn3)CC2)cc1 72446828 MHGRTLSYGVHDRM-UHFFFAOYSA-N 410.522 1.590 0 50 HDAA CCCCN1CCN([C@@H](C(=O)N(C)Cc2nc(C)no2)c2ccccc2)C(=O)C1=O 77487457 QTJUNIZLPAAOAD-GOSISDBHSA-N 413.478 1.549 0 50 HDAA CCCS(=O)(=O)N1CCC(N2CCC[C@H](C(=O)NCc3cccnc3)C2)CC1 82106897 NERCEBWHLYBNCH-SFHVURJKSA-N 408.568 1.614 0 50 HDAA O=C1CCC2(CCN(C(=O)c3ccc(CO)o3)CC2)CN1CCCn1ccnc1 95361459 IOCNVXGVQJJBHN-UHFFFAOYSA-N 400.479 1.904 0 50 HDAA COCCN(CCOC)S(=O)(=O)C[C@H]1CCN(C(=O)OCc2ccccc2)C1 241121732 JDNNSOBKISLYRL-SFHVURJKSA-N 414.524 1.570 0 50 HDAA CS(=O)(=O)Nc1cccc2c1ccn2CC(=O)N[C@H](CO)Cc1ccccc1 253398976 CLVHHTRZSHJUEP-INIZCTEOSA-N 401.488 1.733 0 50 HDAA O=C(c1c(F)cccc1F)N1CCC[C@H](n2ncc(N3CC[C@H](O)C3)cc2=O)C1 328608161 YIZYOUJWVCLICX-ZFWWWQNUSA-N 404.417 1.570 0 50 HDAA Cc1nc(CC(=O)N2CC[C@@](c3nc(-c4ccncc4)no3)(C(F)(F)F)C2)n[nH]1 952892905 JOXJHCVZLLANSR-MRXNPFEDSA-N 407.356 1.833 0 50 HDAA CN1C(=O)[C@@H](CC(=O)N2CCC3(CC2)OCCc2c3[nH]c3ccccc23)N(C)C1=O 1704339356 JGIQDQNSHZHAJD-QGZVFWFLSA-N 410.474 1.841 0 50 HDAA COc1cccc(-c2nccn2C[C@@H]2CC(=O)N(C)C2)c1OCCN1CCOCC1 1857701506 LYFFEPWNDAVUCR-QGZVFWFLSA-N 414.506 1.748 0 50 HDAA O=C(c1ccnc(O)c1)N1CCC2(CCc3c(O)nc(N4CCOCC4)nc32)CC1 1940196440 LODJSFMRFIVPPP-UHFFFAOYSA-N 411.462 1.240 0 50 HDAA CC[C@@](C)(CN=c1cc(NC[C@@](C)(CC)N2CCOCC2)nc[nH]1)N1CCOCC1 2325740692 APZFNVBGZKVZGF-SZPZYZBQSA-N 420.602 1.724 0 50 HDAA O=C(O)c1cccc(NC(=O)c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)c1 1176934 PGIPORNVTFDSCN-UHFFFAOYSA-N 408.407 1.797 0 50 HDAA CCc1csc(CCNC(=O)[C@@H]2CCC(=O)N(CCCN3CCCC3=O)C2)n1 12612389 LEQWVIKYZWBPOY-OAHLLOKOSA-N 406.552 1.615 0 50 HDAA O=C(Cc1cccc(F)c1)NCc1nnc2n1CCN(Cc1nccs1)CC2 14883142 ARRXFEZTPYMMOL-UHFFFAOYSA-N 400.483 1.791 0 50 HDAA COc1cc(Cl)c(CN2CCC[C@@H](CNS(=O)(=O)N(C)C)C2)cc1OC 15075187 IXKRWDLXPUFQEY-ZDUSSCGKSA-N 405.948 1.965 0 50 HDAA CCn1nc(C)c(CNC(=O)[C@H]2CCC(=O)N(CCCN3CCOCC3)C2)c1C 19794882 YMEAUIXKFJANDW-SFHVURJKSA-N 405.543 1.097 0 50 HDAA CCOC(=O)c1n[nH]cc1[C@@H]1C[C@H]2CN(C3CCN(C)CC3)C(=O)[C@]23CCCN13 20119511 WLFVMIMKOPMXIF-LFRPXUGBSA-N 401.511 1.418 0 50 HDAA CCOc1ccc(S(=O)(=O)N2CCN(CC(=O)NC3CCCCC3)CC2)cc1 35395545 MENGEJKFZOTUTL-UHFFFAOYSA-N 409.552 1.841 0 50 HDAA Cc1cccc(-c2noc(CNC(=O)[C@@H]3CCCN(S(=O)(=O)N(C)C)C3)n2)c1 67622098 ZDWGZPYILKEKGV-OAHLLOKOSA-N 407.496 1.180 0 50 HDAA CC(C)N1CCN(CCN2CC3(CCN(C(=O)c4ccccn4)CC3)OC2=O)CC1 77341736 QQWYIWBOHFQFFJ-UHFFFAOYSA-N 415.538 1.535 0 50 HDAA O=C(CC[C@@H]1CCCN(C(=O)Cc2c[nH]c(=O)[nH]c2=O)C1)Nc1ccccc1F 95512384 KIJBUPHEWHZFTG-ZDUSSCGKSA-N 402.426 1.402 0 50 HDAA O=C(NC[C@@H]1CN(CC2CCN(CC3CC3)CC2)C(=O)CO1)c1cc(C2CC2)n[nH]1 299784593 PRJLBZQCDFJSOU-GOSISDBHSA-N 415.538 1.366 0 50 HDAA COC[C@@]1(C(=O)N2CCC(C)(C)S(=O)(=O)CC2)CCN(C(=O)OC(C)(C)C)C1 328593854 RRPWXKWOSWMPGB-LJQANCHMSA-N 418.556 1.686 0 50 HDAA COc1ccc([C@H]2C(C(N)=O)=C(C)N=c3s/c(=C\c4ccc(F)cc4)c(=O)n32)cc1 390834869 JTVAGKZZZPGJGV-XGHXRCDJSA-N 423.469 1.868 0 50 HDAA Cc1noc(C)c1CN1CCc2c(C(=O)N[C@@H]3CCS(=O)(=O)C3)csc2C1 426726729 HTPLIMNSDFVXOY-CYBMUJFWSA-N 409.533 1.828 0 50 HDAA Cc1noc(C)c1CN1CCc2c(C(=O)N[C@H]3CCS(=O)(=O)C3)csc2C1 426726730 HTPLIMNSDFVXOY-ZDUSSCGKSA-N 409.533 1.828 0 50 HDAA Cc1ncc(CN2CCC3(CC2)CN(CC(=O)Nc2cn(C)nc2C)CCO3)[nH]1 952969640 OPPKJOXSRHFTMQ-UHFFFAOYSA-N 401.515 1.066 0 50 HDAA O=C(C[C@H]1CCc2ccccc21)N1CCCN(C(=O)c2nc3ncccn3n2)CC1 1529168459 FBOPEVWEAZEACH-QGZVFWFLSA-N 404.474 1.919 0 50 HDAA CC(=O)N1CCCc2cc(S(=O)(=O)N[C@@H]3COC[C@H]3Cc3ccncc3)ccc21 1704302145 FJYUYLQJYHUGRP-UYAOXDASSA-N 415.515 1.917 0 50 HDAA CCN1CC[C@@H]2C[C@@H](N3CCOCC3)CC[C@@]2(C(=O)NCc2cncn2CC)C1 1857684771 CNZQZKLNYRQGLO-XQBPLPMBSA-N 403.571 1.732 0 50 HDAA Cc1nccn1CCOC(=O)c1cc(F)cc(S(N)(=O)=O)c1Br 1875256192 WKEDOSGCUWLDCS-UHFFFAOYSA-N 406.233 1.598 0 50 HDAA O=C(Cn1ccccc1=O)NC1(CNC(=O)c2cccc3nn[nH]c23)CCCCC1 1875340560 IOQNXVCJYVYZPD-UHFFFAOYSA-N 408.462 1.369 0 50 HDAA COc1cc(CNCCc2ccc(O)cc2)ccc1OC[C@@H](O)CN1CCOCC1 12072321 JADBTMRSUPILAA-NRFANRHFSA-N 416.518 1.805 0 50 HDAA Cc1nn(C)cc1[C@H](C)NC(=O)c1cc(C(=O)N[C@@H](C)c2cn(C)nc2C)n(C)n1 20617469 BZIPLKSJJQJHMR-RYUDHWBXSA-N 412.498 1.486 0 50 HDAA Cc1nc(N2CCN(C)CC2)ncc1-c1cc(=O)[nH]c(N2CCc3ccccc32)n1 36235687 HTAQBLDJKWXADS-UHFFFAOYSA-N 403.490 1.981 0 50 HDAA CN(C)C(=O)CN1CCC(N2CCC[C@H](C(=O)NCCc3ccccc3)C2)CC1 82138874 AXTGCYBPFIRINQ-FQEVSTJZSA-N 400.567 1.610 0 50 HDAA COC(=O)c1nc(NC(=O)C[C@@H]2NC(=O)N(Cc3ccccc3)C2=O)sc1C 170625541 XTKAAZHUFJPLQV-LBPRGKRZSA-N 402.432 1.687 0 50 HDAA CN1C(=O)C[C@H](C(=O)N2CCC[C@H](c3nc(=O)[nH][nH]3)C2)[C@H]1c1cccc(Cl)c1 253405102 YJPXQEBJFDDKOA-DUVNUKRYSA-N 403.870 1.677 0 50 HDAA Cc1noc(C)c1NC(=O)c1ccc(S(=O)(=O)N2C[C@@H]3C[C@H]4C[C@H]3[C@H]2[C@H]4O)cc1 408521379 RAXGFPZTPPBLJE-KYYHFZFISA-N 417.487 1.934 0 50 HDAA C[C@]1(C2CCN(S(=O)(=O)c3ccc(OC(F)F)c(F)c3)CC2)NC(=O)NC1=O 447868091 HITSKTUEXFZKRK-MRXNPFEDSA-N 421.397 1.426 0 50 HDAA COC(=O)c1cn([C@@H]2CN[C@H](C(=O)NC(c3ccccc3)c3ccccc3)C2)nn1 824220736 OTIFATXDSZCXFK-ROUUACIJSA-N 405.458 1.874 0 50 HDAA O=C(CCc1cc(Cl)no1)N1C[C@H]2CN(C(=O)c3cncc(F)c3)C[C@@]2(CO)C1 1772709846 NVEMKZJGOVBOBS-ORAYPTAESA-N 422.844 1.388 0 50 HDAA COC(=O)[C@]1(C)CCCN(c2ncnc3c2ncn3C[C@H](CO)[C@@H]2CCOC2)C1 1857532709 KRVUVXDCDSTTNN-STXHMFSFSA-N 403.483 1.251 0 50 HDAA CC(C)C[C@H](NC(=O)CN1CCN(C)c2cc(F)ccc21)C(=O)N=c1cc[nH][nH]1 2325861751 ZPUNQVCOAPOGMR-HNNXBMFYSA-N 402.474 1.397 0 50 HDAA O=C1NCCN(Cc2ccc(F)cc2)[C@@H]1CC(=O)N1CCN(C2CCCCC2)CC1 11775399 CALOAIZOJQBVES-OAQYLSRUSA-N 416.541 1.993 0 50 HDAA O=S1(=O)C[C@H](S(=O)(=O)c2ccccc2)[C@H](S(=O)(=O)c2ccccc2)C1 18088330 VWKRTHCBULCWPF-IYBDPMFKSA-N 400.499 1.100 0 50 HDAA COc1ccc(NC(=O)N2CCN(c3cc(N4CCOCC4)nc(C)n3)CC2)cc1 21795238 HWULDNUSJZLUAP-UHFFFAOYSA-N 412.494 1.984 0 50 HDAA Cc1cc(C)n(-c2cc(N3CCN(S(=O)(=O)c4cccs4)CC3)ncn2)n1 65364179 FWTNQULNUCZOGN-UHFFFAOYSA-N 404.521 1.852 0 50 HDAA CN(Cc1ccno1)C(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(CCOc4ccccc4)C(=O)[C@@H]13)O2 77386086 NSJVWNWRHNFDKE-VWNVYAMZSA-N 409.442 1.494 0 50 HDAA COc1cccc(NC(=O)CCC2CCN(C(=O)CN3C(=O)CNC3=O)CC2)c1 95507077 DKOCECPRYAYZDH-UHFFFAOYSA-N 402.451 1.204 0 50 HDAA O=C(c1nnn2c1CO[C@H](c1ccc(F)cc1)C2)N1CCN(c2ncccn2)CC1 263615172 AZQRHJDBYLZVHT-KRWDZBQOSA-N 409.425 1.441 0 50 HDAA Cc1nc(C)c(C(=O)Nc2ccc(S(=O)(=O)N3C[C@@H]4C[C@H]5C[C@H]4[C@H]3[C@@H]5O)cc2)o1 408521180 KQZIFDDRZUJNTE-RGYORQFESA-N 417.487 1.934 0 50 HDAA O=C1CN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)c2ccncc2N1 465165577 MQGUZTHQZYXCPX-CQSZACIVSA-N 400.460 1.468 0 50 HDAA CC(=O)N1CC[C@@H](NC(=O)[C@@H]2CCCCN2C(=O)c2ccc(O)nn2)c2ccccc21 1324466268 KTURMYPHLBMTGR-APWZRJJASA-N 423.473 1.791 0 50 HDAA O=C(N[C@@H]1CN2CCCC[C@@]2(C(=O)NC2CCC2)C1)c1cn(-c2ccccc2)nn1 1857685075 BMMWPPYHSYWIPT-JTSKRJEESA-N 408.506 1.663 0 50 HDAA CC(=O)N1CC[C@@H]2C[C@@H](N3CCOCC3)CC[C@@]2(C(=O)NCc2csc(C)n2)C1 1857737683 YPYXOZLJWDDFEO-SLYNCCJLSA-N 420.579 1.807 0 50 HDAA O=C(NC[C@H]1CCCCN1)c1sccc1S(=O)(=O)N1CCc2cccnc2C1 1875305184 LDIMAGDJUZMHAU-OAHLLOKOSA-N 420.560 1.762 0 50 HDAA NC(=O)c1cncc(C(=O)NC2CC3(CCCN(C(=O)[C@H]4C(F)(F)C45CC5)C3)C2)c1 1875317087 OOJWXWPRSUHHKU-XAUUPUKJSA-N 418.444 1.727 0 50 HDAA C[C@]1(C(=O)N2CC(F)(CNC(=O)c3cnn4cccnc34)C2)[C@H]2Cc3ccccc3[C@H]21 2325826997 RJNYRLPRRNLJIT-SVMVAKDDSA-N 419.460 1.986 0 50 HDAA O=C(NC[C@@H]1CC2(CCNCC2)C(=O)O1)c1cc(Br)cc2nc[nH]c12 2325854108 OGWGDOVKXMZNBX-NSHDSACASA-N 407.268 1.741 0 50 HDAA O=C(O)[C@H]1CC(=O)N(c2ccc(Nc3ncc(F)c(N4CCOCC4)n3)cc2)C1 2356159511 DWPLOKXMCUDWEN-LBPRGKRZSA-N 401.398 1.633 0 50 HDAA CCOC(=O)N1CCN(C(=O)CN2C(=O)c3cc(Cl)c(Cl)cc3C2=O)CC1 4833833 JMHVFOLBCBIYGD-UHFFFAOYSA-N 414.245 1.890 0 50 HDAA CCS(=O)(=O)c1ncc(CN(C)Cc2c(C)nc3ccccn23)n1CCOC 12301962 XCZYGWDOHHTECU-UHFFFAOYSA-N 405.524 1.911 0 50 HDAA COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NCCCOC(C)C)c(C)c1C 12702358 YYYDODBCADVLBZ-LJQANCHMSA-N 405.539 1.934 0 50 HDAA COCc1cc(CNC(=O)[C@@H]2CCC(=O)N(CCc3ccc(OC)cc3)C2)n[nH]1 15068179 QWGZNUHJFRGLSZ-MRXNPFEDSA-N 400.479 1.662 0 50 HDAA Cn1cc(CCNC(=O)C[C@@H]2C(=O)NCCN2Cc2cccc(C(F)(F)F)c2)cn1 19148192 WKPNFQUBGGWSPX-QGZVFWFLSA-N 423.439 1.488 0 50 HDAA COc1cc(CNCCc2c(C)n[nH]c2C)ccc1OC[C@H](O)CN1CCOCC1 20362742 PPBXFIRNLVXYQD-LJQANCHMSA-N 418.538 1.439 0 50 HDAA CCN1CCN(C(=O)[C@H](C)N(c2cc(Cl)ccc2OC)S(C)(=O)=O)CC1 20568042 CYKOGOXYBARSPN-ZDUSSCGKSA-N 403.932 1.667 0 50 HDAA O=C(CCCn1nnnc1CN1CCOCC1)N[C@@H](c1ccccc1)c1ccco1 20784042 SYHRGXOOBXRFGG-NRFANRHFSA-N 410.478 1.784 0 50 HDAA CCN1CCN(C[C@H](O)COc2ccc(CN3CCC(OC)CC3)cc2OC)CC1 23375035 GQAPINHTGNBYTO-FQEVSTJZSA-N 421.582 1.683 0 50 HDAA Cc1nc(NCCNS(=O)(=O)c2ccc(F)cc2F)cc(-n2ccnc2C)n1 65364437 AVIKVGQWWYQZMX-UHFFFAOYSA-N 408.434 1.948 0 50 HDAA CC1CCN(S(=O)(=O)c2ccc(NC(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C(=O)O)cc2)CC1 225691560 FJSCWNGBMHLTEO-TVFCKZIOSA-N 422.503 1.924 0 50 HDAA CCCCN1CCN([C@@H](C(=O)N[C@H]2CC[C@@H](N)CC2)c2ccccc2)C(=O)C1=O 244874471 XBUKKGZLJBUSPV-CEXWTWQISA-N 400.523 1.585 0 50 HDAA CC[C@H](C)N1C(=O)[C@H]2[C@H](C1=O)[C@@]1(N[C@H]2[C@H](C)O)C(=O)Nc2c(C)cc(Cl)cc21 245255692 KYBSGTWCHDEYMC-BEHPJCRLSA-N 405.882 1.548 0 50 HDAA COCCN1C(=O)C[C@](CC(=O)N2CCC[C@@H](OC)C2)(c2cccc(OC)c2)C1=O 299766169 CCBAWMCDHSXMNR-XMSQKQJNSA-N 418.490 1.366 0 50 HDAA CC(C)NC(=O)CN1CCC(N2C[C@H](COc3ccc(F)cc3)OCC2=O)CC1 299801143 WPFHLKUJQJOSIE-LJQANCHMSA-N 407.486 1.421 0 50 HDAA O=C(C[C@H]1NC(=O)N(c2ccccc2)C1=O)N1C[C@@H]2C[C@H](C1)CN1C(=O)CCC[C@H]21 888089294 SYJFTEHWCXFIGS-CYGHRXIMSA-N 410.474 1.361 0 50 HDAA COc1ccc(OC)c2c1CN(C[C@H](O)c1ccc(S(C)(=O)=O)cc1)C[C@@H]2O 917057162 QOAFPZMBXDVLST-IRXDYDNUSA-N 407.488 1.690 0 50 HDAA O=C(CCNS(=O)(=O)CC1CC(F)(F)C1)N1CCN(c2ccc(F)cc2)CC1 1474843458 JDVQMPMKTBBORG-UHFFFAOYSA-N 419.469 1.829 0 50 HDAA Cn1nnc(-c2ccc(C(=O)N3CC[C@H](O)[C@](CO)(Cc4ccccc4)C3)cc2)n1 1529167979 UTWKHTXQFLDYPU-SIKLNZKXSA-N 407.474 1.305 0 50 HDAA CCCO[C@H]1C[C@@H](C(=O)NCCc2cnc[nH]2)CC[C@@H]1NC(=O)c1cn(C)cn1 1857687780 DRMMEGXEHTYFRC-ZVZYQTTQSA-N 402.499 1.196 0 50 HDAA CCOC(=O)[C@@]12CC[C@H](N3CCOCC3)C[C@H]1CCN(C(=O)CCc1cn[nH]c1)C2 1857702932 IWRXBZIVMWULAF-XQBPLPMBSA-N 418.538 1.625 0 50 HDAA CC[C@@H]1[C@H](C(=O)N2CCc3ccccc3C2)C[C@@H]2CN(c3ncccn3)CC(=O)N21 1857704333 OFOOJFIVNAHOTQ-VAMGGRTRSA-N 405.502 1.877 0 50 HDAA CC(C)[C@@H]1CO[C@@]23CCN(C(=O)CCC(=O)Nc4cccc(O)c4)[C@@H]2CC(=O)N13 1857735452 OGYWNGUBUXVAPP-FVJLSDCUSA-N 401.463 1.695 0 50 HDAA CC(C)C[C@H]1[C@@H](C(=O)NC2CC2)C[C@H]2CN(C(=O)c3ccc(O)nc3)CC(=O)N21 1857735843 CIVONVIONOBAGK-ULQDDVLXSA-N 400.479 1.153 0 50 HDAA Cc1nc2cc(Cl)ccc2cc1C(=O)N[C@H](C)C(=O)N1CCS(=O)(=O)CC1 1875254549 HQVLIWZZOMJLHQ-GFCCVEGCSA-N 409.895 1.572 0 50 HDAA COc1cc(OC)cc(C2(O)CCN([C@@H]3CCCN(c4ccn(C)n4)C3=O)CC2)c1 1875261428 BBLKVRBLXCHEGD-LJQANCHMSA-N 414.506 1.916 0 50 HDAA O=C([C@@H](O)CN[C@H]1CCOC1)N1CCN(C2c3ccccc3-c3ccccc32)CC1 1875308450 GVPUMDVQXABSOK-JTSKRJEESA-N 407.514 1.640 0 50 HDAA C[C@@H](Cn1cc(-c2csc(C(=O)O)c2)nn1)NC(=O)CCCNC(=O)C1CC1 1875355187 CNQGJSGUIRMPAB-NSHDSACASA-N 405.480 1.516 0 50 HDAA O=C1CC[C@@H](N2Cc3c(cccc3-n3cc(-c4ccc(Cl)cn4)nn3)C2=O)C(=O)N1 1875356272 NBNQSFLVVADOJE-QGZVFWFLSA-N 422.832 1.744 0 50 HDAA O=C1CC[C@H](CC(=O)NCC2(F)CCN(C(=O)c3csc4nccn34)CC2)CN1 2325824194 SXZOZWIPOADNHS-CYBMUJFWSA-N 421.498 1.373 0 50 HDAA O=C1CC[C@H](N2Cc3ccc(CNC(=O)OC[C@H]4CC5CC4C5)cc3C2=O)C(=O)N1 2325901093 TVZTVPWXLBLABD-SPMVYCQMSA-N 411.458 1.720 0 50 HDAA Cn1cccc1-c1nnc2ccc(C(=O)NCCc3noc([C@H]4CCCO4)n3)cn12 2356150177 PJTHFBZDFYVCMV-OAHLLOKOSA-N 407.434 1.942 0 50 HDAA O=C(c1ccncc1)N1CCC(N2CCc3nc(C4CCOCC4)nn3CC2)CC1 2356164009 AMDLUNPPBJOAMP-UHFFFAOYSA-N 410.522 1.730 0 50 HDAA COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCOCC3)CC2)cc1Cl 814603 LUDOPWBDVQAFRT-UHFFFAOYSA-N 402.900 1.608 0 50 HDAA O=C(N[C@@H](Cc1ccccc1)C(=O)O)c1ccc(S(=O)(=O)N2CCCC2)cc1 3866376 RZQWIVSBRCUTMN-SFHVURJKSA-N 402.472 1.897 0 50 HDAA CSCC[C@H](NS(=O)(=O)c1ccc(I)cc1)C(=O)O 8834397 ANJRVPMBSWVDGI-JTQLQIEISA-N 415.274 1.776 0 50 HDAA COc1cccc(CN2CCc3nnc([C@H](NS(C)(=O)=O)C(C)C)n3CC2)c1 12127456 BFCOYGSAWACJMJ-GOSISDBHSA-N 407.540 1.591 0 50 HDAA COc1cc(/C=c2\sc3nc4ccccc4n3c2=O)ccc1OS(C)(=O)=O 13546284 KAUXLCKRLOXFFQ-YBEGLDIGSA-N 402.453 1.804 0 50 HDAA O=C(CCCn1nnnc1CN1CCOCC1)N1CC[C@@H](c2ccccc2F)C1 19740325 FWSGMZNMSMLHSU-MRXNPFEDSA-N 402.474 1.441 0 50 HDAA O=C(NCC(=O)N1CCn2nc(C(=O)Nc3ccccc3)cc2C1)c1ccccc1 65397502 FKARKPISSXEKDB-UHFFFAOYSA-N 403.442 1.908 0 50 HDAA CN1CCN(C(=O)[C@H]2CCCN(C3CCN(C(=O)c4cscn4)CC3)C2)CC1 71760934 OCAPBKHWXBUIFX-INIZCTEOSA-N 405.568 1.234 0 50 HDAA O=C(C[C@@H]1COCCN1)N1CCC2(CCC(=O)N(CCc3ccncc3)C2)CC1 91304931 YLFROGJSLGSCRS-LJQANCHMSA-N 400.523 1.234 0 50 HDAA C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)NCCN1CCCS1(=O)=O 147591512 OJDVKPXICJZHMQ-JTQLQIEISA-N 408.307 1.263 0 50 HDAA C[C@]12CC[C@@H]3[C@H](CC[C@]4(O)C[C@@H](O)CC[C@]34C(=O)O)[C@]1(O)CC[C@H]2C1=CC(=O)OC1 253506780 XJIILRFVONGQOG-DVRHPWFCSA-N 420.502 1.784 0 50 HDAA Cc1nn(CC(F)(F)F)c(C)c1[C@H]1COCCN1C(=O)COCc1nccn1C 952894112 PPRSAWYXSLATCO-CQSZACIVSA-N 415.416 1.912 0 50 HDAA O=C(CN1CC[C@H](O)[C@@](Cc2ccccc2)(C(=O)O)C1)N1CCOc2ccccc21 1704341504 VFCYKMLCJKFWRZ-REWPJTCUSA-N 410.470 1.792 0 50 HDAA Cc1ccc(C(=O)N2CCC(C(=O)N3CC[C@@H](O)[C@@]4(CCCNC4=O)C3)CC2)cc1 1857682533 MTCAKEPBUPNHJY-AUSIDOKSSA-N 413.518 1.337 0 50 HDAA CCOC(=O)[C@@]12CC[C@H](N3CCOCC3)C[C@H]1CCN(C(=O)c1cnc(C)nc1)C2 1857694440 BVPVPJFLPXJEAQ-XQBPLPMBSA-N 416.522 1.681 0 50 HDAA Cc1nnc(N2C[C@@H](C(=O)N3CCC(O)(Cc4ccccc4)CC3)CC2=O)s1 1857720808 LGOARYZFLNSSHN-INIZCTEOSA-N 400.504 1.796 0 50 HDAA CC(C)(C)CC(=O)NCC(=O)N[C@@H]1COCCN(C(=O)C2SCCCS2)C1 1875347535 PAPWABSXHCFAFI-ZDUSSCGKSA-N 417.597 1.079 0 50 HDAA Nc1cccc(C(=O)N2CCC3(CCc4c(O)nc(N5CCOCC5)nc43)CC2)n1 1940198285 ASTRKNKOVBCUCD-UHFFFAOYSA-N 410.478 1.116 0 50 HDAA Cn1[nH]c(-c2ccc(C(=O)N3CCC[C@]4(C3)C(=O)Nc3ccccc34)cc2)nc1=O 2100483795 PRMDMFKEPMGFBF-JOCHJYFZSA-N 403.442 1.902 0 50 HDAA C[C@H](NC(=O)CN(C)C1=NS(=O)(=O)c2ccccc21)[C@@H](O)c1c(F)cccc1F 2325747305 FERIAMZXATWWNM-BBATYDOGSA-N 423.441 1.584 0 50 HDAA O=C(N[C@H](Cc1ccccc1)C(=O)O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 3866379 XENOHQQBUGLBSQ-GOSISDBHSA-N 418.471 1.133 0 50 HDAA CCc1ccc2oc(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)cc(=O)c2c1 5345756 NSTNZDTWXNNJAV-UHFFFAOYSA-N 400.456 1.975 0 50 HDAA COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NCc2nc(C)cs2)c(F)c1 12744192 BVCXUCGCMSSUMB-MRXNPFEDSA-N 406.483 1.606 0 50 HDAA COc1cc(CN2CCN(C(C)=O)CC2)ccc1OC[C@H](O)CN1CCSCC1 15075449 JLGHCESUHKFDHS-LJQANCHMSA-N 423.579 1.148 0 50 HDAA COc1cccc(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N(C)Cc3ccon3)[C@H]4C2=O)c1 77343208 QEOONVOPQFNLRY-OZIGNCPNSA-N 409.442 1.624 0 50 HDAA CN(Cc1cc[nH]n1)C(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(CCOc4ccccc4)C(=O)[C@@H]13)O2 77519295 HSOJICHOFJRKIR-JYLXEMOASA-N 408.458 1.229 0 50 HDAA CCOc1ccc(S(=O)(=O)N[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)cc1OCC 170599212 IINQMHHARDCZHX-LSDHHAIUSA-N 420.553 1.623 0 50 HDAA O=C(C[C@@H]1NC(=O)N(Cc2ccco2)C1=O)NC1CCN(Cc2ccccc2)CC1 170625392 RFOCGFDKDOBFDE-IBGZPJMESA-N 410.474 1.871 0 50 HDAA CC1=NN(C(=O)C(=O)N2N=C(C)[C@H]3[C@H]4[C@@H](C[C@]32O)C4(C)C)[C@@]2(O)C[C@H]3[C@@H]([C@@H]12)C3(C)C 252320647 IRCYFCMAOKHGHL-VKCFVGOZSA-N 414.506 1.384 0 50 HDAA COc1ccc([C@@H](CC(N)=O)c2oc(CN3CCCCC3)cc(=O)c2O)cc1CO 253407514 JXWGESFAPOXXGM-QGZVFWFLSA-N 416.474 1.840 0 50 HDAA biogenic NC(=O)C1CCN(c2ccc(NC(=O)[C@@H](O)[C@H](O)c3nc4ccccc4[nH]3)cc2)CC1 779619944 QMMQIPFOPJSIEQ-OALUTQOASA-N 423.473 1.298 0 50 HDAA COc1ccc(S(=O)(=O)N2CCC[C@@]3(CCc4cnc(N)nc43)C2)cc1OC 1704353472 NZVHNMMFEPQRRF-LJQANCHMSA-N 404.492 1.745 0 50 HDAA O=C(c1cn(-c2ccccc2)nn1)N1C[C@@H]2CN(Cc3ccns3)C[C@@]2(CO)C1 1772805403 NLDWHHJRJVQXQB-YWZLYKJASA-N 410.503 1.290 0 50 HDAA CCCCc1nc(-c2nccn2CCS(=O)(=O)N2CCOCC2)c(Cl)[nH]1 1857713047 AXTKUQHADJOSPB-UHFFFAOYSA-N 401.920 1.931 0 50 HDAA CCN(C)C(=O)[C@H]1C[C@H]2CN(C(=O)c3c[nH]c(=N)s3)CC(=O)N2[C@H]1CC(C)C 1857714922 SGUMGRKFWGKEHN-IHRRRGAJSA-N 407.540 1.122 0 50 HDAA Cn1cc(C(=O)NCc2ccccc2-n2cc(-c3ccc(C(=O)O)cn3)nn2)cn1 1875326501 JJQNEVRLTKSVNI-UHFFFAOYSA-N 403.402 1.691 0 50 HDAA COc1ccc([C@@H]2[C@@H](C(=O)N(C)Cc3nnc(C)o3)OCC(=O)N2C2CC2)cc1 1940197107 SCMSJTFETXCMTA-MOPGFXCFSA-N 400.435 1.476 0 50 HDAA O=C(O)[C@]1(CCCc2ccccc2)CN(c2cc(NCCO)ncn2)CC[C@H]1O 2100540790 PQKZSYNRKQEJQT-DYESRHJHSA-N 400.479 1.546 0 50 HDAA CC1CCN(S(=O)(=O)N2CCN(CCOCCOc3ccccc3)CC2)CC1 2325704198 HTPBNRPKDJBHLU-UHFFFAOYSA-N 411.568 1.676 0 50 HDAA CCN1C[C@@H](C(=O)N2CCCC[C@@H](NC(=O)c3c(F)cc(N)cc3F)C2)CCC1=O 2325864333 MKCDBIRKCCKBQX-DZGCQCFKSA-N 422.476 1.916 0 50 HDAA Cc1nc2cccnc2n1C1CCN(C(=O)CNc2ccc(-c3nn[nH]n3)cn2)CC1 2325879517 YDNLGNDZYHQUKM-UHFFFAOYSA-N 418.465 1.590 0 50 HDAA O=C(C[C@@]1(O)C(=O)Nc2ccccc21)c1ccc(OCC(=O)N2CCOCC2)cc1 1150579 SZPSVLDVUMFSSA-QFIPXVFZSA-N 410.426 1.337 0 50 HDAA Cc1nn(-c2ccccc2)c(C)c1CC(=O)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 11786717 DTEIDBOYJIUYLE-JOCHJYFZSA-N 409.490 1.868 0 50 HDAA CC(C)(C)CN1CCNC(=O)[C@H]1CC(=O)NCc1ccc(N2CCCC2=O)cc1 11874269 MUDPCXUYDPPLRU-GOSISDBHSA-N 400.523 1.666 0 50 HDAA Cc1noc(C)c1C(=O)N1CCc2nnc(CNC(=O)c3cccc(F)c3)n2CC1 12048753 NPNIFUSZHWFUGK-UHFFFAOYSA-N 412.425 1.651 0 50 HDAA COc1ccc(S(=O)(=O)N2CCN(c3cc(-n4cccn4)ncn3)CC2)cc1C 23144486 ZYJKHIXWUFJCAG-UHFFFAOYSA-N 414.491 1.490 0 50 HDAA O=C(Nc1ccc2c(c1)OCO2)N1CCN(c2ccnc(N3CCOCC3)n2)CC1 72117280 UPLSKDXINNUGTA-UHFFFAOYSA-N 412.450 1.396 0 50 HDAA Cc1cc(CNS(=O)(=O)c2ccc3c(c2)CCN(C(=O)[C@H]2CCCO2)C3)no1 77566158 FJWQLNIIZBLJAG-GOSISDBHSA-N 405.476 1.525 0 50 HDAA CCN1C(=O)[C@@H]2[C@@H](C(=O)c3ccc(Br)cc3)N3N=CC=C[C@@H]3[C@@H]2C1=O 100690628 LJXBTSPSWGZQCB-QPSCCSFWSA-N 402.248 1.861 0 50 HDAA CCCCN1CCN([C@H](C(=O)N[C@H]2CC[C@@H](N)CC2)c2ccccc2)C(=O)C1=O 244874472 XBUKKGZLJBUSPV-OTWHNJEPSA-N 400.523 1.585 0 50 HDAA CCOC(=O)C(C(=O)OCC)[C@@H]1[C@@H]2C(=O)[C@@H]3[C@@H]4[C@H]2[C@H]2[C@H]1C(=O)[C@H]1[C@@H]2[C@H]4[C@@H]2[C@@H]3CC[C@H]21 253611112 MKFVYQPUKYMICH-AZIYWXATSA-N 412.482 1.753 0 50 HDAA O=C1N[C@@H](CC(=O)N2CCC[C@@H](c3nnc4ccccn34)C2)C(=O)Nc2ccccc21 263584931 CFRCXCORASKXJQ-PBHICJAKSA-N 418.457 1.576 0 50 HDAA biogenic CCOC(=O)c1cc(S(=O)(=O)N2CCC[C@H](c3n[nH]cc3C(=N)O)C2)cn1C 328604424 JRQMFLZDXAQJPQ-NSHDSACASA-N 409.468 1.377 0 50 HDAA COCc1noc(CN2CCC(CNC(=O)[C@H]3COc4ccccc4O3)CC2)n1 952968658 PIHBTSYQVPZTAU-QGZVFWFLSA-N 402.451 1.384 0 50 HDAA COc1ccc(CN2CCN(c3ncccc3C(N)=O)CC2)cc1Cn1cccn1 952974342 JJAGXJILNUEQMC-UHFFFAOYSA-N 406.490 1.756 0 50 HDAA NC(=O)[C@@H]1CCCN(c2ccc(C(=O)N3CCC(N4CCCNC4=O)CC3)cc2)C1 1324282527 VYJYGIZIJVYMBF-QGZVFWFLSA-N 413.522 1.408 0 50 HDAA CNC(=O)c1ccc(S(=O)(=O)N2CCN([C@@H]3CCc4ccccc4C3)CC2)cc1 1506396516 KEQTZJYEPDEMCM-HXUWFJFHSA-N 413.543 1.910 0 50 HDAA COc1ccc([C@@H]2[C@@H](CO)OCCN2C(=O)c2c(C)cc(C)n(C)c2=O)cc1OC 1529134093 QTWWNZDUAHXUKC-UYAOXDASSA-N 416.474 1.594 0 50 HDAA Cc1nc(CNC(=O)[C@@]23CCCN(CCCn4cccn4)[C@H]2CN(C)CC3)no1 1857676685 WNWKXBPVDYYPSI-FXAWDEMLSA-N 401.515 1.067 0 50 HDAA Cc1nc2nc(=N)[nH]n2c(C)c1CCC(=O)N[C@H](C)Cc1nc(-c2ccccc2)no1 1875254023 IWAOKTMXPPVFLT-GFCCVEGCSA-N 420.477 1.884 0 50 HDAA CNC(=O)CN(CCCCn1ccnc1C)S(=O)(=O)c1cccc2c1OCC2 1875304090 ZQPJZGGKKIAWCE-UHFFFAOYSA-N 406.508 1.344 0 50 HDAA Cn1ccnc1[C@]1(CNC(=O)c2ccc(Oc3ccccc3)cn2)NC(=O)NC1=O 1875328719 JNDSIDJDELEGDM-FQEVSTJZSA-N 406.402 1.072 0 50 HDAA C[C@H](NC(=O)Cn1cc(Br)ccc1=O)c1cccc(-c2nn[nH]n2)c1 1875340683 MWMRIVVRMYLETK-JTQLQIEISA-N 403.240 1.668 0 50 HDAA CS(=O)(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3cccs3)cc2)CC1 1849397 GHRXVFLMGYHGHS-UHFFFAOYSA-N 424.573 1.957 0 50 HDAA NC(=O)COc1c(F)cc(SCCNS(=O)(=O)c2ccccc2)cc1F 2541692 GTACSIONMHMRPD-UHFFFAOYSA-N 402.444 1.900 0 50 HDAA in-vitro Cc1cn2c3c(=O)n(C/C=C/c4ccccc4)c(=O)n(C)c3nc2n1CCN(C)C 10233402 BZVMMJZVSGTAKB-DHZHZOJOSA-N 406.490 1.733 0 50 HDAA CCS(=O)(=O)c1ncc(CN2CCN(c3cccc(C)n3)CC2)n1CCOC 11819251 GPWZHQYLGVGRBM-UHFFFAOYSA-N 407.540 1.349 0 50 HDAA CC1CCN(Cc2nnnn2CC(=O)N2CCC[C@@H](OCc3cccnc3)C2)CC1 11820866 LYJLLSUTCULGEV-LJQANCHMSA-N 413.526 1.508 0 50 HDAA CCN(CCn1cccn1)C(=O)C[C@@H]1C(=O)NCCN1Cc1ccc(OC)c(C)c1 11839614 ZKAVWGIMVOZCLH-LJQANCHMSA-N 413.522 1.439 0 50 HDAA C[C@@H]1CN(c2ccccc2)c2nc3c(c(=O)n(CCN4CCOCC4)c(=O)n3C)n2C1 19826022 JUCWXVDJQFZFHY-MRXNPFEDSA-N 424.505 1.017 0 50 HDAA CCCCn1c(CN2CCOC[C@@H]2CC(=O)OCC)cnc1S(=O)(=O)CC 20912029 RKANAZURCQMKJD-HNNXBMFYSA-N 401.529 1.631 0 50 HDAA COc1ccc(NC(=O)N2CCN(c3cc(N4CCOCC4)ncn3)CC2)c(C)c1 82230618 GYOURFBEBIPZOR-UHFFFAOYSA-N 412.494 1.984 0 50 HDAA CNc1nc2c(c(C(=O)N3CCCC3)n1)CN(C(=O)c1cc(Cl)cn1C)CC2 95352416 UTSDOHHHPPTTEL-UHFFFAOYSA-N 402.886 1.945 0 50 HDAA CCN(C(=O)CN1CCC[C@H](c2ncc(C(F)(F)F)[nH]2)C1)[C@@H]1CCS(=O)(=O)C1 225537118 DEVPXQGRNXRWBT-QWHCGFSZSA-N 422.473 1.644 0 50 HDAA Cn1c(CN2C[C@H](c3ccccc3)CC2=O)nn([C@H]2CC(=O)[C@H]3OC[C@H]2O3)c1=S 254396742 CIQDWPCJZMFIIY-DZASIIFFSA-N 414.487 1.723 0 50 HDAA O=C(NCCCn1ccccc1=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(C4CCCCC4)C(=O)[C@H]13)O2 1565530222 AQEAGYCYRGWLKQ-USKVXJDGSA-N 411.502 1.469 0 50 HDAA O=C([C@H]1CCc2sc(N3CCOCC3)nc2C1)N1CCC(c2nc[nH]n2)CC1 1772813668 NMSOSGQSIIPGBP-AWEZNQCLSA-N 402.524 1.609 0 50 HDAA COCCCNC(=O)[C@@]12CCCN(C(=O)c3ccc(F)cc3O)[C@H]1CN(C)CC2 1857676067 OFDOBNHPXBKRPD-GHTZIAJQSA-N 407.486 1.611 0 50 HDAA Cc1c(O)cccc1C(=O)NC[C@H]1CN(CC2CCN(CC3CC3)CC2)C(=O)CO1 1857677650 LGTUFYQJPBMDAK-IBGZPJMESA-N 415.534 1.780 0 50 HDAA COc1ccc(F)cc1C(=O)N[C@@H]1CC[C@H](NS(=O)(=O)C2CCOCC2)C1 1857678421 XYYBELMFTDYCMP-KGLIPLIRSA-N 400.472 1.584 0 50 HDAA COC(=O)[C@H]1C[C@H]2CN(C(=O)c3ccn(C(F)F)n3)CC(=O)N2[C@H]1c1ccccc1 1857714570 FIHYFVGEZQLYQY-ZQIUZPCESA-N 418.400 1.865 0 50 HDAA COC[C@@H]1CCCN1S(=O)(=O)N1CCc2nn(C)c(-c3ccccc3)c2CC1 1875244683 PQYCRWWGVSZBMW-KRWDZBQOSA-N 404.536 1.843 0 50 HDAA Cc1nn(CCO)cc1CNC(=O)c1ccc2c(=O)n(-c3ccccc3)c(O)nc2c1 1875332484 UNQKXCZBASILTA-UHFFFAOYSA-N 419.441 1.519 0 50 HDAA C[C@@H](NC[C@@H](O)COCc1ccc2c(c1)OCO2)c1ccc2c(c1)NC(=O)CO2 2325723187 CNGQUDDLOOBMAP-CZUORRHYSA-N 400.431 1.975 0 50 HDAA C[S@](=O)(CCO)=NC(=O)CSCc1nc(O)c2c3c(sc2n1)CCC3 2325874720 YOANWWAWIFBSPM-VWLOTQADSA-N 401.535 1.736 0 50 HDAA C=CC(=O)N1CCC(C(=O)N2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)CC1 2325889493 TZUPFIJITXPOOE-UHFFFAOYSA-N 403.910 1.978 0 50 HDAA COC(=O)[C@@]12COC[C@@H]1CN(C(=O)c1cc3c(s1)C1(CCNCC1)OCC3)C2 2356142025 AFPYZSQWGQWRNE-LIRRHRJNSA-N 406.504 1.161 0 50 HDAA CC(=O)Nc1nnc(CCOC[C@H](C)OCCc2nnc(NC(C)=O)s2)s1 12383558 YZVXPZKJFALXLL-VIFPVBQESA-N 414.513 1.513 0 50 HDAA CCn1cc(CN2CCC(N3CCC(C(=O)NC[C@@H]4CCCO4)CC3)CC2)cn1 15069836 VRGZFQDKCCHISM-NRFANRHFSA-N 403.571 1.875 0 50 HDAA CC(C)(Oc1ccccc1)C(=O)N1CCCn2nc(C(=O)N3CCOCC3)cc2C1 65453680 QWLVMFLTVRNWNT-UHFFFAOYSA-N 412.490 1.945 0 50 HDAA COc1cccc(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N(C)Cc3ccno3)[C@@H]4C2=O)c1 77440801 CHMITRONMBFIPR-JYLXEMOASA-N 409.442 1.624 0 50 HDAA CCN1CCN(C[C@H](O)COc2cccc(CN(C)Cc3c[nH]nc3C)c2)CC1 95530572 PKKGLUYSFVWOPG-NRFANRHFSA-N 401.555 1.727 0 50 HDAA O=C(O)[C@@H]1[C@H]2C=C[C@@H](CC2)[C@H]1C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 239432825 WOIYWQLLJZTJBX-LBTBCDHLSA-N 420.487 1.559 0 50 HDAA C[C@H]1CN(C(=O)CN(CC(=O)N2C[C@@H](C)OC[C@@H]2C)Cc2cccnc2)[C@H](C)CO1 241326142 LZNMGBAEWSRIJA-SEXKYXSUSA-N 418.538 1.155 0 50 HDAA CC(C)c1nnc(CN2CCC[C@H](n3ncc(N4CCN(C)CC4)cc3=O)C2)n1C 328602722 CLRTXSXFNUISIE-KRWDZBQOSA-N 414.558 1.084 0 50 HDAA CC[C@@H]1CN(c2ncnc3c2ncn3C[C@H](O)[C@@H]2CCCO2)C[C@]2(CCOC2)O1 888097841 QKVUQFDHARKMSD-OLPIVMHESA-N 403.483 1.141 0 50 HDAA Cn1nncc1CC(=O)N1CC[C@](c2nc(-c3ccncc3)no2)(C(F)(F)F)C1 952892040 DNPYWXKRMOUNSS-INIZCTEOSA-N 407.356 1.535 0 50 HDAA O=C(C1CCNCC1)N1CCC(N2C[C@H](COc3ccc(F)cc3)OCC2=O)CC1 1857666814 SNXUXYGUEWLUFW-HXUWFJFHSA-N 419.497 1.423 0 50 HDAA N[C@H](Cc1ccccc1)c1nc(CC2CC2)nn1CC(=O)N1C[C@H]2C[C@@H](O)C[C@H]2C1 1857684151 ATCHXPQWLFMHGI-IYWMVGAKSA-N 409.534 1.702 0 50 HDAA CCc1nc2ccccc2n1CCC(=O)N1C[C@H]2[C@@H](N(C)C)CS(=O)(=O)[C@H]2C1 1857692299 XZNCQEDNJRLZEP-WBAXXEDZSA-N 404.536 1.174 0 50 HDAA Cc1n[nH]cc1C(=O)N1CCC(N2C[C@H](COc3ccc(F)cc3)OCC2=O)CC1 1857735832 CENRQAGPTROSHP-GOSISDBHSA-N 416.453 1.768 0 50 HDAA COc1c(C(=O)N2[C@H]3CCC[C@H](NC(=O)c4nc[nH]c5ncnc4-5)[C@H]2CC3)cnn1C 1875317356 VSWBIHJDQBIIIV-FPMFFAJLSA-N 424.465 1.002 0 50 HDAA O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@H]1COc2ccccc2O1 889671 XRRIZWYWKCNNHC-GOSISDBHSA-N 404.444 1.486 0 50 HDAA Cc1ccc(S(=O)(=O)N(C)c2c(C)ccc(S(=O)(=O)NCCO)c2C)cc1 5554263 ULILALIQBQKZFD-UHFFFAOYSA-N 412.533 1.708 0 50 HDAA CN(Cc1ccncn1)C(=O)C[C@@H]1C(=O)NCCN1Cc1cccc2ccccc12 11702893 NPANAGWSBHKONT-OAQYLSRUSA-N 403.486 1.979 0 50 HDAA COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NCCCc2cccnc2)c(F)c1 11820666 QOVGGOHDHMTUGF-FQEVSTJZSA-N 414.481 1.669 0 50 HDAA Cc1nc(CN2CCN(C(=O)c3cn(CCN4CCCCC4)nn3)CC2)cs1 11839579 NNNQGOXVNOPUSF-UHFFFAOYSA-N 403.556 1.487 0 50 HDAA CC(C)N(C)Cc1nnnn1CC(=O)NC[C@@H]1CCCN(CCc2ccccc2)C1 12596187 ZIBIZIJIPWTYHQ-FQEVSTJZSA-N 413.570 1.584 0 50 HDAA O=C1CN(C[C@H](O)CO)C[C@@H](OCc2cccc(F)c2)CN1CCc1ccccc1 14753536 GWGVUAHMDQBCFV-FCHUYYIVSA-N 416.493 1.451 0 50 HDAA O=C(Cn1nc(N2CCN(c3ccccc3)CC2)ccc1=O)NCc1ccccn1 35375517 HIJNQMCQJYAIHA-UHFFFAOYSA-N 404.474 1.281 0 50 HDAA CN(Cc1nc(-c2ccccc2)no1)C(=O)C[C@@H]1C(=O)NCCN1Cc1cccnc1 55061156 TYCKZICGPKVFDV-GOSISDBHSA-N 420.473 1.481 0 50 HDAA O=C(CSc1ncccn1)N1CCC[C@H](CNS(=O)(=O)Cc2ccccc2)C1 67847185 PCVCDVDUOPVYGN-QGZVFWFLSA-N 420.560 1.927 0 50 HDAA CCS(=O)(=O)N1CCC[C@H](C(=O)Nc2ccccc2C(=O)N2CCOCC2)C1 72434116 BFMFIUFFWXDZBD-HNNXBMFYSA-N 409.508 1.159 0 50 HDAA CC(C)CNc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@@H](O)COc1ccccc1Cl 170624365 SUJZEHZVRBAKPO-GFCCVEGCSA-N 421.885 1.585 0 50 HDAA COCCNC(=O)CN1CCN(C(=O)c2cc(C3CC3)nc3ccc(C)cc23)CC1 170649361 PUSMFEOSWOCRQU-UHFFFAOYSA-N 410.518 1.941 0 50 HDAA CC[C@H]1CN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2OC)CCCO1 225600987 BKNDBXGYLXTLSJ-HNNXBMFYSA-N 412.508 1.357 0 50 HDAA COCCSc1nnc(NC(=O)CN(c2cccc(C)c2)S(C)(=O)=O)s1 1506414256 PZLALRSPPABIPM-UHFFFAOYSA-N 416.550 1.990 0 50 HDAA O=C(CSc1nc(O)c2c3c(sc2n1)CCCC3)N1CC[C@H](CO)[C@@H](O)C1 1529197072 KCXRNSPWCFMLAY-PWSUYJOCSA-N 409.533 1.570 0 50 HDAA Cn1ccnc1CN1C[C@H]2CN(Cc3nn(C)c4cccc(Cl)c34)C[C@@]2(CO)C1 1772700638 FNFRMBCAPRXPGV-VFNWGFHPSA-N 414.941 1.887 0 50 HDAA Cc1[nH]nc(CN2C[C@@H]3CN(C(=O)c4cnc(C5CC5)nc4)C[C@]3(CO)C2)c1Cl 1772813539 GLNSWLIBJAASDO-QRWLVFNGSA-N 416.913 1.605 0 50 HDAA CCOC(=O)[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CCN(C(=O)Cc1[nH]cnc1C)C2 1857682560 WHGTUJCSNBJYHE-JBYIUTFZSA-N 418.538 1.543 0 50 HDAA Cn1cc(C(=O)N2CCO[C@@H](CN3CCC(O)CC3)[C@@H]2c2ccccc2)ccc1=O 1857721906 LLAROAISVXBJPQ-UNMCSNQZSA-N 411.502 1.424 0 50 HDAA CCn1ccnc1CNC(=O)[C@@H]1C[C@@H](O)[C@H](NC(=O)c2ccnc(C(C)C)n2)C1 1875240952 KWGKMJFCIYKCMA-NUEKZKHPSA-N 400.483 1.002 0 50 HDAA O=C1N=C(NS(=O)(=O)N2CCC[C@@H]2C2(C(F)(F)F)N=N2)C(=C(Cl)Cl)N1 2084443329 FXZRZIJKRCSXJC-SCSAIBSYSA-N 421.188 1.778 0 50 HDAA O=C(NCCn1ncc2ccccc2c1=O)Nc1cccc(Cn2cccnc2=O)c1 2325732491 YHVXYESXWKYSBN-UHFFFAOYSA-N 416.441 1.823 0 50 HDAA Cc1cc(N2CCCCS2(=O)=O)cc(C)c1S(=O)(=O)NC[C@@H]1CCCO1 12004299 HQPGNNNSVFCGAF-INIZCTEOSA-N 402.538 1.691 0 50 HDAA O=C1CC[C@@H](C(=O)N2CCC(N3CCSCC3)CC2)CN1CCc1ccccn1 12320036 NHSWPGVLVFNPQD-GOSISDBHSA-N 416.591 1.903 0 50 HDAA COc1ccc(Nc2nc(N)nc(CSC(=S)N3CCN(C)CC3)n2)cc1 20102351 GVWXNYLUBSUZET-UHFFFAOYSA-N 405.553 1.972 0 50 HDAA CCOC(=O)[C@](C)(O)[C@@]1(C(=O)OC(C)(C)C)OC(C)(C)O[C@H]1C(=O)OC(C)(C)C 43199049 YFDJFTNNEABDGO-OCCQLPPTSA-N 418.483 1.874 0 50 HDAA O=C(NCCN1CCN(c2cccc3c2OC[C@@H](CO)O3)CC1)c1ccc(F)cc1 53122860 NYSDRDDQELAVKP-GOSISDBHSA-N 415.465 1.510 0 50 HDAA investigational CN(C)[C@H]1CCN(CCCN2CC3(CCN(Cc4cccnc4N)CC3)OC2=O)C1 72473820 VCIVRBLCYYQWFU-IBGZPJMESA-N 416.570 1.477 0 50 HDAA Cc1cc(NC(=O)CN2CCN(Cc3ccccc3N3CCO[C@@H](C)C3)CC2)no1 241657683 PYJHDDRFMYYBHR-SFHVURJKSA-N 413.522 1.964 0 50 HDAA Cn1nnc(-c2cccc(NC(=O)CCCC[C@@H]3SC[C@H]4NC(=O)N[C@H]43)c2)n1 334162692 XCUYUNFMPRKELB-IJEWVQPXSA-N 401.496 1.541 0 50 HDAA CC(=O)NCCN([C@@H](C)C(=O)O)S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl 485310600 VADSSDJZCOZAFF-QMMMGPOBSA-N 416.805 1.959 0 50 HDAA O=S(=O)(N1CCCCC1)N1CCCN(c2ncc(F)c(N3CCCC3)n2)CC1 1529198642 IYTJHPRKZYWUGI-UHFFFAOYSA-N 412.535 1.459 0 50 HDAA O=C(NCc1cc[nH]n1)c1cn2c(n1)CCN(C(=O)c1ccc3c(c1)CCO3)CC2 1875251156 OCSZDTZBQGYYBG-UHFFFAOYSA-N 406.446 1.170 0 50 HDAA O=C(CN1C(=O)c2ccccc2S1(=O)=O)N1CCN(c2cccc(Cl)c2)CC1 1128212 AWHFZQVRASSLJU-UHFFFAOYSA-N 419.890 1.833 0 50 HDAA CC(=O)NCCNC(=O)c1ccc(OC2CCN(S(C)(=O)=O)CC2)c(Cl)c1 11880023 BXPOYGGUOVJMCP-UHFFFAOYSA-N 417.915 1.009 0 50 HDAA COc1cc(CNCc2nccn2C)ccc1OC[C@H](O)CN1CCSCC1 12303136 HVPLVSPGNOUZPT-QGZVFWFLSA-N 406.552 1.507 0 50 HDAA CC(=O)Nc1c(O)nc(SCC(=O)Nc2ccc(Br)cn2)[nH]c1=O 12379556 HTQFYRKFYHJRDS-UHFFFAOYSA-N 414.241 1.322 0 50 HDAA CN(CCc1cnn(C)c1)Cc1cnc(S(=O)(=O)CC2CC2)n1C[C@H]1CCCO1 20537545 MNUSLHKNFMZSNA-LJQANCHMSA-N 421.567 1.654 0 50 HDAA Cn1ccc(NC(=O)CN2CCC(N3CCC[C@@H](C(=O)N4CCCC4)C3)CC2)n1 71738572 REBLHTIWMPZENS-QGZVFWFLSA-N 402.543 1.157 0 50 HDAA Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)CNC(=O)c3ccccc3)CC2)n1 72438139 JVGHPIOCDMREBR-UHFFFAOYSA-N 422.533 1.854 0 50 HDAA CCC(=O)N(Cc1ccc(S(N)(=O)=O)cc1)[C@H]1CC(=O)N(c2ccccc2)C1=O 100565967 XZMDFIRWEUHJEL-KRWDZBQOSA-N 415.471 1.405 0 50 HDAA O=C(c1ccc(N2CCOCC2)c(F)c1)N1CCn2c(nnc2-c2cccnc2)C1 225486769 PJUCXRMZLYPUAQ-UHFFFAOYSA-N 408.437 1.972 0 50 HDAA O=C(NCC1(COc2ccccc2)CC1)[C@@H]1CNC[C@@H](C(=O)N2CCOCC2)C1 247797594 SLAWCOOMZBAZGD-ROUUACIJSA-N 401.507 1.046 0 50 HDAA CC(C)(C)c1cc(C(=O)N2CCC[C@H](n3ncc(N4CC[C@H](O)C4)cc3=O)C2)[nH]n1 328606549 RYTANEIEIYWEEC-HOCLYGCPSA-N 414.510 1.312 0 50 HDAA O=C(CN1CCN(c2ncccn2)CC1)N1CCC([C@@H](O)c2cccs2)CC1 1506418642 UJBVAMBZDJPFNW-LJQANCHMSA-N 401.536 1.632 0 50 HDAA O=C(C1CCOCC1)N1CCC(N2C[C@@H](COc3ccc(F)cc3)OCC2=O)CC1 1857670710 FKVAHKNNXAOACE-FQEVSTJZSA-N 420.481 1.850 0 50 HDAA N=c1nc(N2CCC[C@](O)(CN3CCC(c4ccccc4)CC3)C2)c2nc[nH]c2[nH]1 1857724975 HNSBQBUTGHVGIN-QFIPXVFZSA-N 407.522 1.976 0 50 HDAA Cc1ccc(-n2nnc(C(=O)NC3CN(C(=O)[C@@]4(C)CC(C5CC5)=NO4)C3)c2C)cc1 2325826458 BQPNYYJNBJSDTL-JOCHJYFZSA-N 422.489 1.770 0 50 HDAA CC[C@H]1CC[C@H](C(=O)N2CC[C@@H]3CN(C(=O)CN4C(=O)[C@@H](C)[C@@H](C)C4=O)C[C@@H]32)CC1 2325872554 CYKABXZRTHJIRJ-VUQDICHWSA-N 417.550 1.903 0 50 HDAA O=C1CC[C@@H](N2C(=O)c3ccc(C(=O)N4CCCCCCCC4)cc3C2=O)C(=O)N1 2325897897 LXHBGUJMAKGLQQ-QGZVFWFLSA-N 411.458 1.884 0 50 HDAA OC[C@H](O)[C@H](O)[C@@H](O)[C@H](O)C(SCc1ccccc1)SCc1ccccc1 1577107 XYJQPBTZELOVDP-OKYOBFRVSA-N 410.557 1.615 0 50 HDAA O=P(O)(O)c1ccccc1NCCCCCNc1ccccc1P(=O)(O)O 2770450 LSBKBUCTOTZUSC-UHFFFAOYSA-N 414.335 1.987 0 50 HDAA COc1cc(C(=O)Nc2nnc(CC(=O)N3CCOCC3)s2)cc(OC)c1OC 4196935 NIZRAIBHWZXGLV-UHFFFAOYSA-N 422.463 1.218 0 50 HDAA O=C1NCCN(C2Cc3ccccc3C2)[C@H]1CC(=O)N1CCN(C2CCCC2)CC1 11815593 YMCHIWLLTUQELQ-QFIPXVFZSA-N 410.562 1.431 0 50 HDAA O=C1CCCN1CCCN1C[C@H](C(=O)N(CCO)Cc2ccccc2)CCC1=O 12076341 CREUKIKEGMTDOV-LJQANCHMSA-N 401.507 1.259 0 50 HDAA NCCCC[C@@H]1NC(=O)[C@@H]2C[C@H](NCc3nc(-c4ccccc4)cs3)CN2C1=O 14754435 VQZMEOSQAKCMRI-BQFCYCMXSA-N 413.547 1.497 0 50 HDAA O=C([C@@H]1CC(=O)N(c2ccccc2)C1)N1CCN(S(=O)(=O)c2cccs2)CC1 20739872 QLBDINPYRZMLFY-OAHLLOKOSA-N 419.528 1.634 0 50 HDAA O=C1COc2ccc(S(=O)(=O)N[C@H]3CCCN(Cc4ccccn4)C3)cc2N1 72173683 IWVOIUUNUQJENE-HNNXBMFYSA-N 402.476 1.355 0 50 HDAA O=C([C@@H]1[C@@H]2C=C[C@@]3(CN(CCc4ccncc4)C(=O)[C@@H]13)O2)N1CCc2ncccc2C1 77378909 OKRJBCHVHJLPMS-BLRYILKCSA-N 416.481 1.386 0 50 HDAA CCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)c1cc(Cl)c[nH]c1=O)CC2 95511443 WUXPTXIWNGQVMX-UHFFFAOYSA-N 403.870 1.678 0 50 HDAA O=S(=O)(NCc1nc2ccccc2[nH]1)c1cccc(S(=O)(=O)NC2CC2)c1 170603996 MEPOMKMYNAWEJB-UHFFFAOYSA-N 406.489 1.482 0 50 HDAA COc1ccc(CN2CCCn3nc([C@H](O)CO)cc3C2)cc1CN1CCCC1 221420190 XGQKREBKOLWPGV-OAQYLSRUSA-N 400.523 1.919 0 50 HDAA CCOC(=O)[C@@]12CC[C@H](N3CCOCC3)C[C@H]1CCN(c1cc(C)[nH]c(=NC)n1)C2 1857685576 YIDNKPSCUXFPFT-KGVIQGDOSA-N 417.554 1.509 0 50 HDAA CN(C)S(=O)(=O)C[C@@H]1CN(C(=O)c2csc(Cc3ccccc3)n2)C[C@@H]1O 1857721710 BXIKMFSYIMFVSD-HOCLYGCPSA-N 409.533 1.058 0 50 HDAA Cc1cc(C)n(CC(=O)N2[C@H]3CC[C@@H]2C[C@]2(C3)CN(c3noc(C)n3)CCO2)n1 1857729523 OSUPMQHSWOBASK-YRWFTTLQSA-N 400.483 1.620 0 50 HDAA C=CC(=O)N(CC)CC(=O)N1CCn2nc(C)c(I)c2C1 1875302713 DDAJQJBYFBHIDJ-UHFFFAOYSA-N 402.236 1.173 0 50 HDAA COc1cccc(N2C(=O)C(=CN[C@@H]3CCS(=O)(=O)C3)c3ccccc3C2=O)c1 2082940934 AUNDUBDZLSYSME-CQSZACIVSA-N 412.467 2.000 0 50 HDAA O=C(c1ccccc1-c1nn[nH]n1)N1CCC[C@]12CCCN([C@H]1CC[C@H](O)CC1)C2=O 2100540070 BXINVKXQIJVXGN-WCJKSRRJSA-N 424.505 1.767 0 50 HDAA COc1nn(C)cc1C(=O)N1CCC[C@@H]1CNC(=O)[C@@H]1OCCc2ccc(C)cc21 2325829626 NZRPKTKKJVIDCH-VQIMIIECSA-N 412.490 1.772 0 50 HDAA COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)N(C)Cc2ccon2)c(OC)c1 12431436 QLFUMYAVGDXHHW-QGZVFWFLSA-N 402.451 1.041 0 50 HDAA Cc1ccc(S(=O)(=O)N2CCN3C(=O)[C@H](CC4CCCCC4)NC(=O)[C@H]3C2)cc1 14539137 CDLNUTGJJZFWJA-RBUKOAKNSA-N 419.547 1.665 0 50 HDAA O=C(CCCn1nnnc1CN1CCOCC1)N1CC[C@@H](c2ccc(F)cc2)C1 15063599 AMFYIVMXCVYFSF-QGZVFWFLSA-N 402.474 1.441 0 50 HDAA COC(=O)[C@@H]1[C@H](c2ccccc2)N[C@@H](c2ccccc2)[C@@H](C(=O)OC)S1(=O)=O 19301147 HXZGSGMQZHHVEH-XSLAGTTESA-N 403.456 1.570 0 50 HDAA CN(Cc1nc2ccccc2o1)C(=O)[C@@H]1CCC(=O)N(CCCN2CCOCC2)C1 20540167 DJXJVWLCBDXNKS-QGZVFWFLSA-N 414.506 1.747 0 50 HDAA O=C(N1N=C(C(F)F)C[C@@]1(O)C(F)F)C12C[C@@H]3C[C@H](C1)CC(n1ncnn1)(C3)C2 20602255 FBRWODGIQUMUDB-NJAHIKMNSA-N 416.379 1.776 0 50 HDAA COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NC2Cc3ccccc3C2)c(F)c1 20995093 NZUJCALFLRBTMO-NRFANRHFSA-N 411.477 1.808 0 50 HDAA CNC(=O)CN(C)C(=O)[C@H]1CCCN(C2CCN(C3Cc4ccccc4C3)CC2)C1 91829577 KPLVAKFLOSURBN-FQEVSTJZSA-N 412.578 1.535 0 50 HDAA O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)OCC(=O)c1ccc(Br)cc1 100523708 JYKUGGCJZPTERA-MWDDYTRKSA-N 418.243 1.982 0 50 HDAA CC1(C)CC(=O)c2cc(C(=O)Nc3cccc([C@@]4(C)NC(=O)NC4=O)c3)c(=O)[nH]c2C1 111142205 LPMFUDFOWPFGIF-JOCHJYFZSA-N 422.441 1.837 0 50 HDAA CCC(=O)NCC(=O)N[C@H]1CCN([C@H](C(=O)OC(C)(C)C)c2ccccc2)C1=O 170608640 IIGAJAPAMDLMCS-YJBOKZPZSA-N 403.479 1.313 0 50 HDAA Cc1ccc(-n2cccn2)cc1S(=O)(=O)N1CC[C@@]2(CO)CCCN(C)[C@@H]2C1 1704336754 MTSLPLWLARIQJO-WOJBJXKFSA-N 404.536 1.648 0 50 HDAA COCCc1noc(CNC(=O)C[C@@H]2CCCN(c3nc4ncccc4o3)C2)n1 1857731479 RNYQVYPSEPFZPW-ZDUSSCGKSA-N 400.439 1.718 0 50 HDAA N=c1nc(O)c2c([nH]1)C1(CC2)CCN(C(=O)c2cc(F)ccc2OCCN)CC1 1857735983 XJTSUNMZKDXXCG-UHFFFAOYSA-N 401.442 1.192 0 50 HDAA O=C(COc1ccc(-n2cnnn2)cc1)N1CCN2[C@@H](c3ccccc3)COC[C@H]2C1 2100536830 AEHAFVMKHUPKEV-TZIWHRDSSA-N 420.473 1.325 0 50 HDAA Cc1ccc(OCc2nnc(NC(=O)CN(C)[C@@H]3CCS(=O)(=O)C3)s2)c(C)c1 2100540307 HWSZTBRXVIKVJN-CQSZACIVSA-N 424.548 1.791 0 50 HDAA CO[C@H](C(=O)NC1(CN(C)C(=O)c2cnn3ccn(C)c23)CC1)c1ccc(F)cc1 2325827485 HOIIVMBZVALMMF-KRWDZBQOSA-N 413.453 1.920 0 50 HDAA CNC(=O)c1noc(CN2C[C@@H]3C[C@H](C2)[C@@H]2CCCC(=O)N2[C@H]3Cc2ccccc2)n1 2356155969 PVHCHZSIAZWSOK-XWSJACJDSA-N 423.517 1.873 0 50 HDAA CCn1ncc(C(=O)NC)c1NC(=O)[C@H]1CC(=O)N(c2ccc(OC)c(Cl)c2)C1 2356167045 RRCJKLOOCXABOW-NSHDSACASA-N 419.869 1.916 0 50 HDAA Cc1nc(CCNC(=O)[C@H]2CCC(=O)N(CCCN3CCOCC3)C2)sc1C 19334347 NRCMXTKAAJPFIF-KRWDZBQOSA-N 408.568 1.380 0 50 HDAA Cc1ccc(OCCN(C)C(=O)[C@@H]2CCC(=O)N(CCCN3CCOCC3)C2)cc1 19791250 ZPFNDHCOUHRAON-HXUWFJFHSA-N 417.550 1.793 0 50 HDAA CNc1ncc(C(=O)N2CCC(N3CCC[C@H](C(=O)N4CCCC4)C3)CC2)cn1 67804381 OPBGXKPSNNHSGK-INIZCTEOSA-N 400.527 1.457 0 50 HDAA COCC(=O)N1CCc2nc[nH]c2C12CCN(Cc1cc(C(C)(C)C)[nH]n1)CC2 95516699 KWZIXISYADLOIN-UHFFFAOYSA-N 400.527 1.953 0 50 HDAA CC(=O)N[C@@H]1[C@H](OCc2ccccc2)[C@H](O)[C@@H](CO)O[C@H]1OCc1ccccc1 101135603 IYODMICTBRMKGJ-CSEOROSGSA-N 401.459 1.371 0 50 HDAA CC(=O)Nc1ncc(S(=O)(=O)N2CCC(NC(=O)c3ccccc3)CC2)s1 225833376 RXLXIPPSRLSDED-UHFFFAOYSA-N 408.505 1.685 0 50 HDAA CCO[C@@H]1CCCN(c2nc(NCCOC)nc(N3CCC[C@@H](OCC)C3)n2)C1 229879058 YKSPBMBCKGOXID-IAGOWNOFSA-N 408.547 1.941 0 50 HDAA CN1C(=O)NC(=O)[C@@]2(Cc3ccccc3N3CCN(Cc4ccccc4)C[C@H]32)C1=O 229902852 WZHYCNUWACWWDP-CVDCTZTESA-N 404.470 1.628 0 50 HDAA CN(C)CCNC(=O)CC[C@@H]1CN(Cc2ccccc2)CC[C@@H]1N1CCN(C)CC1 247946954 BCSCIFKEIHLIFM-PKTZIBPZSA-N 415.626 1.583 0 50 HDAA CC(=O)Nc1ccc2nc(CN3CCN(S(=O)(=O)N4CCCC4)CC3)ccc2c1 820592986 XKMLNSOXUJBNFG-UHFFFAOYSA-N 417.535 1.651 0 50 HDAA CCOc1cc(C)c(Cl)cc1S(=O)(=O)N[C@@H](C)c1n[nH]c(CC(=O)O)n1 1506396419 IIJNOYRKUWMXDB-VIFPVBQESA-N 402.860 1.832 0 50 HDAA CCCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2COC[C@H]2Cc2ccncc2)cc1 1529092562 VCQUKDDMZUGQRB-IEBWSBKVSA-N 403.504 1.757 0 50 HDAA COc1ccccc1Cc1nc([C@H]2COCCN2C)n(-c2ccc3nncn3n2)n1 1875250613 QTXYICIHXARDBL-OAHLLOKOSA-N 406.450 1.308 0 50 HDAA CC(=O)N[C@](C)(C(=O)NCc1ccc(CN)cc1)c1ccc(S(C)(=O)=O)cc1 1875340601 KBEFPISNWXXPCG-FQEVSTJZSA-N 403.504 1.217 0 50 HDAA C[C@H]1CN([C@@H](C)CN=c2[nH]cc[nH]c2=NC[C@H](C)N2C[C@H](C)O[C@H](C)C2)C[C@@H](C)O1 2325759546 GWZAPEQKGLUXCY-YDRVBMSGSA-N 420.602 1.140 0 50 HDAA COC(=O)[C@@H](Cc1cnn(C)c1C)NC(=O)C[C@@H]1C(=O)Nc2ccc(Cl)cc21 2325851371 YDMAYMMDZLCWOV-GOEBONIOSA-N 404.854 1.708 0 50 HDAA CC(C)[C@H](NC(=O)[C@H](O)C1(O)CCOCC1)[C@@H](O)c1cccc(C(F)(F)F)c1 2325860663 OWTOPWSOZFHWCO-JYJNAYRXSA-N 405.413 1.782 0 50 HDAA COc1cc2c(cc1OC)C1(CCN(CC(=O)NC[C@@H]3CCCO3)CC1)OCC2 2356144067 IKSQWMKDRPIWNM-KRWDZBQOSA-N 404.507 1.863 0 50 HDAA CCN1C(=O)C[C@@H](N2CCN(c3cc(-c4ccc(OC)cc4)nc(C)n3)CC2)C1=O 4753416 PEKVWGKMPKYCQH-LJQANCHMSA-N 409.490 1.730 0 50 HDAA CN1C(=O)c2cccc(N3CCN(C(=O)[C@@H](O)c4ccc(Cl)cc4)CC3)c2C1=O 11791130 NZMCUQJDNTWPMC-SFHVURJKSA-N 413.861 1.948 0 50 HDAA CC(C)[C@H](NC(=O)c1ccccn1)c1nnc2n1CCN(C(=O)[C@@H]1CCOC1)CC2 12020028 UTKWJCKOENPOFY-QAPCUYQASA-N 412.494 1.221 0 50 HDAA COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)N(C)Cc2cc(C)no2)cc1OC 15072227 WWIIRDBIDDCYDR-KRWDZBQOSA-N 416.478 1.349 0 50 HDAA COCCCn1c(CN2CCc3cc(OC)c(OC)cc3C2)cnc1S(C)(=O)=O 23366560 FJJBNSMLTOMXKF-UHFFFAOYSA-N 423.535 1.899 0 50 HDAA COc1cccc(S(=O)(=O)N2CCN(c3cc(-n4cccn4)nc(C)n3)CC2)c1 65363172 MVLWSZUQAVOIKE-UHFFFAOYSA-N 414.491 1.490 0 50 HDAA COc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)N3CCOCC3)cc2)cc1 67338813 JMHOUSFCZNWNCK-UHFFFAOYSA-N 404.488 1.988 0 50 HDAA CC(C)OCC(=O)N1CCC(N2CCC[C@@H](C(=O)NCc3cccnc3)C2)CC1 82116306 UIGGAGKSXDBDPZ-LJQANCHMSA-N 402.539 1.826 0 50 HDAA COC(=O)CC1CCN(C(=O)C[C@@H]2NC(=O)N(Cc3ccccc3Cl)C2=O)CC1 170625168 SZXFWKCOHMXHTO-INIZCTEOSA-N 421.881 1.952 0 50 HDAA Cc1nc(C)c(C(=O)N2CCC[C@H](n3ncc(N4CCOCC4)cc3=O)C2)s1 328607518 WEHZOMNQPCVWIV-HNNXBMFYSA-N 403.508 1.631 0 50 HDAA C[C@]1(O)CC2(CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)OC[C@@H]1O 1704297140 IOYLHOOEIQJWGQ-GJZGRUSLSA-N 409.426 1.761 0 50 HDAA COc1ccccc1S(=O)(=O)N1C[C@@H]2CN(CCc3ccccc3)C[C@@]2(CO)C1 1772804385 NUZUBCISHZDKGR-UGKGYDQZSA-N 416.543 1.853 0 50 HDAA CCc1cc(C(=O)N(CC(=O)NC)C[C@@H](C)N(C)Cc2ccccc2)cn(C)c1=O 1857532565 KLQZEDDNGKXGJG-QGZVFWFLSA-N 412.534 1.656 0 50 HDAA O=C1CC[C@H](N2Cc3ccc(C(=O)Nc4cccc(C(=O)O)c4)cc3C2=O)C(=O)N1 2325896434 YLKWKANQGYDVFP-INIZCTEOSA-N 407.382 1.398 0 50 HDAA Cc1nnc(N2C[C@@H](O)[C@]3(C2)[C@H](c2ccccc2)[C@H]3CNC(=O)c2cncn2C)o1 2356157430 KFSUTUVBTKJEAK-QTQZEZTPSA-N 408.462 1.122 0 50 HDAA O=C(NCc1ccc2c(c1)OCO2)c1nc(CS(=O)(=O)c2ccccc2)no1 4742691 JXOSLVWLFYAFRK-UHFFFAOYSA-N 401.400 1.702 0 50 HDAA O=C([C@@H]1CCCO1)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 6742334 PLZOCNJUHRBZKY-AWEZNQCLSA-N 403.298 1.461 0 50 HDAA CN1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2cccc3ccccc23)CC1 8579081 WYFZOUATTKSAMC-UHFFFAOYSA-N 404.474 1.377 0 50 HDAA CC(C)Cn1c(CN(C)Cc2cnn(C)c2)cnc1S(=O)(=O)C[C@H]1CCCO1 11819890 UGMQKFKJOYZZRN-GOSISDBHSA-N 409.556 1.857 0 50 HDAA COc1cc(CNCCCn2ccnc2)ccc1OC[C@@H](O)CN1CCSCC1 12447346 FYEGWLCIVIPVAK-IBGZPJMESA-N 420.579 1.860 0 50 HDAA COCCN(CC1CCN(Cc2ccccc2OC)CC1)C(=O)[C@@H]1CNC(=O)C1 12583584 KMLNZFGWCBNSDC-IBGZPJMESA-N 403.523 1.518 0 50 HDAA O=C1N[C@H](Cc2ccc(O)cc2)C(=O)N2C[C@@H](NCc3ccc(Cl)s3)C[C@@H]12 14540064 ZGYPTCOGWJLETI-MAZHCROVSA-N 405.907 1.907 0 50 HDAA O=C1NCCN(C/C=C/c2ccccc2)[C@H]1CC(=O)N1CCN(c2cnccn2)CC1 14975258 MVLAWTKEGTZGQU-PDGUBNMISA-N 420.517 1.029 0 50 HDAA O=C(C[C@@H]1C(=O)NCCN1Cc1cccnc1)NCCCn1ccc2ccccc21 55370921 VSVJVEJZDGHXGA-OAQYLSRUSA-N 405.502 1.933 0 50 HDAA O=C(Nc1ccc2c(c1)OCO2)[C@@H]1[C@@H]2C(=O)N(Cc3ccncc3)C[C@@]23C=C[C@H]1O3 227293859 ZCORURRASHVZOH-TXXUCJGISA-N 405.410 1.731 0 50 HDAA COc1ccc(OC)c(CN2CC[C@H](N3CCN(c4ccccn4)CC3)[C@@H](O)C2)c1 248146360 SRYKMXGLFFXZSQ-SFTDATJTSA-N 412.534 1.856 0 50 HDAA C[C@H](N[C@H]1C[C@H](C)N(c2ccccc2)C1=O)c1ccc(S(=O)(=O)CC(N)=O)cc1 820821855 GFYNBKAAFUERGR-DOXZYTNZSA-N 415.515 1.790 0 50 HDAA CCN1CCN(c2ccc(NC(=O)NCc3ccc(S(N)(=O)=O)cc3)cc2)CC1 915320796 CQFMVOMMZIEOAX-UHFFFAOYSA-N 417.535 1.798 0 50 HDAA CCOC(=O)[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CCN(C(=O)Cc1cc[nH]n1)C2 1857685291 QWLICLNQRRYAJR-HGHGUNKESA-N 404.511 1.235 0 50 HDAA CCOC(=O)[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CCN(C(=O)c1ncoc1C)C2 1857685448 JSZYMIIKTWJBFY-CBGDNZLLSA-N 405.495 1.879 0 50 HDAA Cc1ncccc1C(=O)N1CCO[C@@H](CN2CCCN(C)CC2)[C@@H]1c1cnn(C)c1 1857713568 QGCWWTNITMLWKU-SFTDATJTSA-N 412.538 1.343 0 50 HDAA Oc1cccc2c1CCC[C@@H]2NC[C@H](O)[C@@H](O)[C@@H](O)c1cnn(-c2ccccc2)n1 1875262840 SXTMVNHZAXLGRA-AGOPTVSRSA-N 410.474 1.395 0 50 HDAA CCn1ncc(S(=O)(=O)Nc2ccccc2NS(=O)(=O)c2ccccc2)n1 1875316692 BFBDBNLZRSDLLK-UHFFFAOYSA-N 407.477 1.900 0 50 HDAA O=C(c1cn(C[C@@H]2CCCNC2)nn1)N1CCCN(c2nc3ccccc3o2)CC1 2100473638 QSSDJJSCOOPIBR-MRXNPFEDSA-N 409.494 1.771 0 50 HDAA CN1CCN(C(=O)c2cc3c(s2)CCOC32CCNCC2)CC12CCOCC2 2356139048 LCPCZFRNUZKOQO-UHFFFAOYSA-N 405.564 1.836 0 50 HDAA Cc1cc(S(=O)(=O)N2CCc3ccccc32)ccc1OCC(=O)N1CCOCC1 6702317 ORMZCKKHNRPZLS-UHFFFAOYSA-N 416.499 1.984 0 50 HDAA COc1cc(CNCCOc2ccccc2)ccc1OC[C@@H](O)CN1CCOCC1 12076764 VBMYEWAETJRGPP-FQEVSTJZSA-N 416.518 1.936 0 50 HDAA CC(=O)NCC(=O)N(CCCN(C)C)CC1CCN(C2Cc3ccccc3C2)CC1 12470481 SFUFKBRNLUWWNJ-UHFFFAOYSA-N 414.594 1.782 0 50 HDAA Cc1ccn(-c2ccc(N3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)nn2)n1 13009302 SZSZNAPFULEIHV-UHFFFAOYSA-N 402.455 1.621 0 50 HDAA COc1ccc(S(=O)(=O)NCc2cccc(C)c2)cc1C(=O)N1CCOCC1 13675915 CQKKYYOKDSOHTA-UHFFFAOYSA-N 404.488 1.955 0 50 HDAA CCOc1ccccc1CN1CCc2nnc([C@H](NS(C)(=O)=O)C(C)C)n2CC1 14992007 SXUGFUANLLCQMM-LJQANCHMSA-N 421.567 1.981 0 50 HDAA COCCc1noc(CNC(=O)CCCc2nc(-c3cccc(OC)c3)no2)n1 55325579 WHRBMPDLHWSPDX-UHFFFAOYSA-N 401.423 1.956 0 50 HDAA CN(Cc1cccnc1)C(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(c4ccc(CCO)cc4)C(=O)[C@@H]13)O2 77286889 RDSCUXIWOZCMNU-JCUDRXCFSA-N 419.481 1.561 0 50 HDAA Cc1ccc(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N(C)CCn3cccn3)[C@@H]4C2=O)cc1C 77489487 RZVGNSFRSWLEJX-BLRYILKCSA-N 420.513 1.941 0 50 HDAA Cc1ncc(C(=O)N2CCC(N3CCC[C@@H](C(=O)N4CCCC4)C3)CC2)c(=O)[nH]1 82096461 GUGSNOZMZYUSPB-MRXNPFEDSA-N 401.511 1.017 0 50 HDAA CCC(=O)NCC(=O)N[C@@H]1CCN([C@@H](C(=O)OC(C)(C)C)c2ccccc2)C1=O 170608641 IIGAJAPAMDLMCS-CRAIPNDOSA-N 403.479 1.313 0 50 HDAA CC(=O)Nc1ccc(NC(=O)[C@H](C)OC(=O)[C@@H]2CS[C@]3(C)CCC(=O)N23)cc1 241897388 TYHQJTPNXZACKP-SGJUXQJHSA-N 405.476 1.969 0 50 HDAA O=C1[C@@H]2CN(S(=O)(=O)c3cccs3)C[C@@H]2C(=O)N1CCOc1ccccc1 261495004 DFPKTFFFDJMYGO-GASCZTMLSA-N 406.485 1.433 0 50 HDAA O=C(NC[C@@H]1CN(CC2CCN(CC3CC3)CC2)C(=O)CO1)c1ccccc1O 299778816 OOIKQUHRJYUJHT-GOSISDBHSA-N 401.507 1.471 0 50 HDAA CCS(=O)(=O)NCc1ccc(C(=O)NC[C@]2(O)[C@H]3[C@H]4C[C@@H]5[C@H]6[C@@H](C[C@H]53)[C@@H]2[C@@H]64)cc1 428016458 WUCGJNNZAJEPAI-YMPPPQHUSA-N 416.543 1.365 0 50 HDAA O=C(O)[C@@H]1CC[C@H](C(=O)N[C@@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)O1 432091514 FYLRXFFOAQPBPV-UPJWGTAASA-N 402.325 1.439 0 50 HDAA Cc1nc(C(=O)N2CCC3(CC2)CN([C@H](C)CS(C)(=O)=O)CCO3)cs1 821758593 MTCQYAVQYMGVSO-CYBMUJFWSA-N 401.554 1.192 0 50 HDAA CO[C@H]1C[C@@H](C(=O)NCc2cscn2)CC[C@@H]1NS(=O)(=O)c1ccccc1 1857681347 JVYIEHCNMVEJRT-JQFCIGGWSA-N 409.533 1.922 0 50 HDAA CN1CCCN(CC(=O)N2CCC3(CC2)C[C@@H](O)C[C@H](c2ccccc2)O3)CC1 1857697132 WNGNWTVQEJEKGX-LEWJYISDSA-N 401.551 1.898 0 50 HDAA COc1ccc2c(c1)c(C(=O)N[C@H]1COC[C@H]1CS(=O)(=O)N(C)C)c(C)n2C 1940195800 NOBATVFDVALVDJ-BBRMVZONSA-N 409.508 1.132 0 50 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Cc1cccc(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N(C)CCc3cn[nH]c3)[C@@H]4C2=O)c1 77377801 DLVQEMSGSZUKIJ-VAWZGJIGSA-N 406.486 1.701 0 50 HDAA O=C1[C@@H](N2CCN(c3ccc4nnc(C(F)F)n4n3)CC2)CCN1c1ccccc1 301702465 FBPKOOBMPMJJBF-HNNXBMFYSA-N 413.432 1.989 0 50 HDAA COC[C@H]1CN(C(=O)c2cccc(S(=O)(=O)Nc3cc(C)on3)c2)C[C@@H](C)O1 440177638 JADODRBEWJKRLL-UKRRQHHQSA-N 409.464 1.660 0 50 HDAA Cc1nn(C)c(C(=O)NC[C@@H]2CN(CC3CCN(CC4CC4)CC3)C(=O)CO2)c1C 1857678722 PVFKUQRYAYUQQW-LJQANCHMSA-N 417.554 1.116 0 50 HDAA CN(C)C[C@@H]1OCCN(C(=O)CCc2ccc3c(c2)OCO3)[C@H]1c1cnn(C)c1 1857686127 JDWAEPCQLWNAKQ-FPOVZHCZSA-N 400.479 1.612 0 50 HDAA O=C(NCC[C@@H]1COCCN1C(=O)CCc1cnccn1)c1cccc(F)c1F 1857695992 HQHDQHPONAABNL-OAHLLOKOSA-N 404.417 1.735 0 50 HDAA Cn1cc(C(=O)NC2CCN(c3cc(Br)cnc3C(N)=O)CC2)cn1 1875261689 WPWPQOGATDNFSY-UHFFFAOYSA-N 407.272 1.075 0 50 HDAA CC(C)(C)N1CC[C@@](F)(C(=O)N2CCNC(=O)[C@H]2Cc2nc3ccccc3o2)C1 2325736002 ALZLGZCKCRVIPE-VFNWGFHPSA-N 402.470 1.910 0 50 HDAA 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12002320 REDUMIBPHGNXRQ-UHFFFAOYSA-N 417.487 1.943 0 50 HDAA O[C@H]1CN(Cc2cnn(-c3ccccc3F)c2)C[C@@H]1N1CCN(c2ccccn2)CC1 20993287 BGQOQPFBIUNUJU-VXKWHMMOSA-N 422.508 1.774 0 50 HDAA COc1ccc(-c2cn3cc(C(=O)N[C@@H](C)CO)nc3c(=O)n2CC2CC2)c(F)c1 72430901 KGAHLVNFADMLKD-LBPRGKRZSA-N 414.437 1.831 0 50 HDAA Cc1nnc(CN(C)C(=O)[C@H]2[C@@H]3C=C[C@@]4(CN(Cc5ccc(C)c(C)c5)C(=O)[C@@H]24)O3)o1 77318926 PSKQIWLJMFZOGR-YPIYEQTHSA-N 422.485 1.935 0 50 HDAA Cc1ccn2c(F)c(C(=O)N3CC[C@H](N4CCOCC4)[C@H](CCCO)C3)nc2c1 91425822 XNTKDCOCTHQXBU-SJORKVTESA-N 404.486 1.717 0 50 HDAA Cc1c(NC(=O)[C@@H](C)N2C(=O)[C@H]3CCCC[C@H]3C2=O)c(=O)n(-c2ccccc2)n1C 95394143 SLKBUXDMUWFXNV-OIISXLGYSA-N 410.474 1.987 0 50 HDAA COCC(=O)N1CCC(Oc2ccccc2C(=O)N[C@H](C)c2nc(C)no2)CC1 95518657 LRAPOWISMZKWCE-CYBMUJFWSA-N 402.451 1.885 0 50 HDAA CCC1=NO[C@H](CNC(=O)c2ccc(OC3CCN(C(=O)COC)CC3)cc2)C1 95531662 BRLOJIBXWAQUTC-IBGZPJMESA-N 403.479 1.988 0 50 HDAA CCc1noc([C@@H]2CC[C@@H](NS(=O)(=O)c3ccc4c(c3)n(C)c(=O)n4C)C2)n1 1309921453 RYHYPAYLHXEOTJ-VXGBXAGGSA-N 405.480 1.437 0 50 HDAA Cc1noc(C)c1-c1ccc(S(=O)(=O)N2C[C@H]3CNC[C@@]3(CN(C)C)C2)s1 1772700741 DTBIYKXSHNBAHV-RDTXWAMCSA-N 410.565 1.792 0 50 HDAA O=C(Cc1cccnc1)N[C@@H]1CS(=O)(=O)[C@H]2CN(C3Cc4ccccc4C3)C[C@@H]12 1857692220 USVHHNJOBHINPK-HBMCJLEFSA-N 411.527 1.005 0 50 HDAA O=C1CC[C@@H](N2Cc3ccc(CN=c4ccc(C(F)(F)F)c[nH]4)cc3C2=O)C(=O)N1 2325897699 FALNLYXULLXDPW-OAHLLOKOSA-N 418.375 1.895 0 50 HDAA CCOC(=O)Cn1c(C)cn2c3c(=O)n(C/C=C/c4ccccc4)c(=O)n(C)c3nc12 10233591 RDHVKENFWQMRLG-DHZHZOJOSA-N 421.457 1.734 0 50 HDAA COc1cc(CN2CCC(C(N)=O)CC2)ccc1OC[C@H](O)CN1CCSCC1 11951635 LWHZROUNBNIXTM-GOSISDBHSA-N 423.579 1.181 0 50 HDAA COCCN1C(=O)N(Cc2cccc(OC)c2)C(=O)C12CCN([C@@H](C)CCO)CC2 14540694 LRNCRACYBIYIML-KRWDZBQOSA-N 419.522 1.711 0 50 HDAA Cn1c(CCNC(=O)/C=C/c2cccc(F)c2)nnc1SCCN1CCOCC1 19739528 FSANINVLLQMOCA-AATRIKPKSA-N 419.526 1.751 0 50 HDAA COc1ccc(CCNC(=O)Cn2nnnc2CN2CCc3ccccc3C2)cc1 19842484 CNOYTUVOJUFQLX-UHFFFAOYSA-N 406.490 1.599 0 50 HDAA CCc1c(C(=O)NCCN2CCOCC2)c(=O)cc(C)n1Cc1ccccc1OC 20999700 KABRLGMSUGVFGV-UHFFFAOYSA-N 413.518 1.838 0 50 HDAA O=C1NCCN(Cc2ccoc2)[C@H]1CC(=O)N1CCN(c2nc3ccccc3o2)CC1 55061044 BJIYMFDZJZAIPS-SFHVURJKSA-N 423.473 1.460 0 50 HDAA O=C(COc1ccc(Cl)cc1)N1CCN(c2ccnc(N3CCOCC3)n2)CC1 72119274 UXFOSBDBFUUODG-UHFFFAOYSA-N 417.897 1.694 0 50 HDAA COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)[C@H](C)N1CCCCC1)CC2 95500903 CEDBGHKEAQOSIV-INIZCTEOSA-N 403.527 1.133 0 50 HDAA COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)c1cncc(Cl)c1)CC2 95524600 FEXQMLOIRWONQN-UHFFFAOYSA-N 403.870 1.621 0 50 HDAA Nc1nc(=O)[nH]cc1N1CCN(C(=O)[C@H]2C[C@H]2c2ccc(C(F)(F)F)cc2)CC1 225578702 PBBDIKNBIJISNG-KBPBESRZSA-N 407.396 1.823 0 50 HDAA CSCC[C@H](N)C(=O)NC[C@H]1CC[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)CC1 248022074 JKVPLXFZACOARS-VGWMRTNUSA-N 401.573 1.605 0 50 HDAA biogenic O=C(C[C@H]1N=C(O)N(CCc2c[nH]c3ccccc23)C1=O)NCCc1ccncc1 252537606 LSMLAOGPPCLDHE-LJQANCHMSA-N 405.458 1.979 0 50 HDAA O=C(CC[C@H]1NC(=O)c2ccccc2N=C1O)NCc1nnnn1-c1ccccc1 252538968 NNZSYRPHOPLXHB-MRXNPFEDSA-N 405.418 1.459 0 50 HDAA COc1ccc(CN2CCC[C@@H](n3ncc(N4CC[C@H](O)C4)cc3=O)C2)cc1F 328604395 JMJGIEHUPXFTGK-AEFFLSMTSA-N 402.470 1.799 0 50 HDAA O=C(CC[C@H]1NC(=O)N(c2ccccc2)C1=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 409415164 VTHZABFDSTWVQK-SOLBZPMBSA-N 420.469 1.699 0 50 HDAA O=C(c1ccc(N2CCC3(CC2)Nc2ccccc2NC3=O)nc1)N1CCOCC1 1704337309 ZLLXVXRESFCQHS-UHFFFAOYSA-N 407.474 1.957 0 50 HDAA Cc1cc(S(=O)(=O)N2C[C@@H]3CN(Cc4[nH]cnc4C)C[C@]3(CO)C2)c(C)s1 1772808501 RXPBXVFQVJNLMT-MAUKXSAKSA-N 410.565 1.511 0 50 HDAA Cn1cc(Cl)cc1C(=O)NC[C@H]1CN(CC2CCN(CC3CC3)CC2)C(=O)CO1 1857672398 BLLWPDYRNVIJOJ-SFHVURJKSA-N 422.957 1.758 0 50 HDAA Cc1cc(CC(=O)N2CC(=O)N3[C@H](c4ccccc4)[C@H](C(=O)N(C)C)C[C@@H]3C2)on1 1857693570 CFARJOAQHLSDAB-HGHGUNKESA-N 410.474 1.414 0 50 HDAA C=CC(=O)NCc1nc2c(s1)CCN(C(=O)[C@@H]1CC(=O)N([C@H](C)CCC)C1)C2 1875386424 PUOJKDQKHHIQHK-ZIAGYGMSSA-N 404.536 1.867 0 50 HDAA CCCCNS(=O)(=O)c1cccc(NC(=O)C(=O)NCc2cncc(OC)c2)c1 1875389297 JEZZQBKNZALBEE-UHFFFAOYSA-N 420.491 1.424 0 50 HDAA Cc1cn(CC(=O)N2CCC[C@@]23CCCN(Cc2ccccc2)C3=O)c(=O)nc1O 2100544615 BLMDDDNWRFPYSB-JOCHJYFZSA-N 410.474 1.441 0 50 HDAA CC(C)N1C(=O)CO[C@H](C(=O)N(C)C2CCS(=O)(=O)CC2)[C@H]1c1ccccc1 2356169342 QMKMYBQUAZKNEC-MOPGFXCFSA-N 408.520 1.399 0 50 HDAA CCOC(=O)C(CCCSc1ncnc2nc[nH]c12)(NC(C)=O)C(=O)OCC 5349751 VFBQAQRXDTTZKC-UHFFFAOYSA-N 409.468 1.226 0 50 HDAA COC(=O)c1cc(CNC(C)=O)cc(NS(=O)(=O)c2ccc3c(c2)OCCO3)c1 11785297 FDVXBAGMOBXPSN-UHFFFAOYSA-N 420.443 1.681 0 50 HDAA O=C(Cn1nnnc1CN1CCCCCC1)N1CCN(c2ccc(Cl)cn2)CC1 15068230 VUOQCJZFLPNJHL-UHFFFAOYSA-N 418.933 1.446 0 50 HDAA CN(CCc1cn[nH]c1)C(=O)C[C@H]1C(=O)NCCN1Cc1ccc(Cl)c(F)c1 20994752 ABWIIJZVSHJNHQ-KRWDZBQOSA-N 407.877 1.594 0 50 HDAA CN(Cc1ccncn1)C(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(Cc4ccc(F)cc4)C(=O)[C@H]13)O2 77343970 OVKOUPPOLUWFKJ-OZIGNCPNSA-N 408.433 1.556 0 50 HDAA CC(C)n1cnnc1[C@H](C)NS(=O)(=O)c1ccc(NS(=O)(=O)N(C)C)cc1 670448949 VIVALOPFQYIGCO-LBPRGKRZSA-N 416.529 1.117 0 50 HDAA CCCn1nccc1S(=O)(=O)NCCCNS(=O)(=O)c1ccc(C)cc1 670469570 LALJGTXGDCNAGO-UHFFFAOYSA-N 400.526 1.248 0 50 HDAA CN(CC(=O)Nc1cccc(C(=O)NCCC(N)=O)c1)C(=O)OCc1ccccc1 756689374 AEHHUKUEYVFSCI-UHFFFAOYSA-N 412.446 1.499 0 50 HDAA CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)Cc1ccc(-c2ccccc2)cc1 1704335051 KKDYSMAYNAUNKL-VQTJNVASSA-N 402.516 1.919 0 50 HDAA C[C@H](O)Cc1cn(Cc2ccc(C(=O)N3CCN(Cc4ccccc4)CC3)o2)nn1 1875318148 NPKNNKPNDYZDJW-KRWDZBQOSA-N 409.490 1.801 0 50 HDAA O=C1NC(=O)[C@]2(CCCCC[C@@H]2NC(=O)c2ccc(S(=O)(=O)C3CCC3)cc2)N1 1875328935 SVYVYVTUDNSDRV-OXJNMPFZSA-N 419.503 1.654 0 50 HDAA COCC1CCC(Nc2ccc(C(=O)NC[C@H]3CCN(S(C)(=O)=O)C3)cn2)CC1 1875360777 JCNREOGUNMLRRU-UPTPFMHGSA-N 424.567 1.710 0 50 HDAA Cn1c(C(=O)NC[C@H](O)CNC(=O)COc2ccc(O)cc2)cc(Cl)c1Cl 2325851366 XZTATQSBSAGCEC-LLVKDONJSA-N 416.261 1.323 0 50 HDAA NS(=O)(=O)c1cc2c(cc1C(F)(F)F)N[C@@H](Cc1ccccc1)NS2(=O)=O 601301 HDWIHXWEUNVBIY-CQSZACIVSA-N 421.422 1.625 0 50 HDAA biogenic,fda CCOC(=O)Cn1c(=O)c2c(nc3n2CCCCN3c2ccc(C)cc2)n(C)c1=O 894614 XIXULQCZEQCDPZ-UHFFFAOYSA-N 411.462 1.700 0 50 HDAA CC(C)Cn1c(CN2CCC[C@@H](C(=O)N3CCOCC3)C2)cnc1S(C)(=O)=O 12300536 ZOIXRMNXMLYVNR-MRXNPFEDSA-N 412.556 1.013 0 50 HDAA COc1ccc(C(=O)N2CCc3cc(S(=O)(=O)N4CCOCC4)ccc32)cc1 12421766 BDIVSQMVTPGZKT-UHFFFAOYSA-N 402.472 1.919 0 50 HDAA CC(C)CN1C[C@H](OCc2cccc(F)c2)CN(C(=O)C2=NNC(=O)CC2)CC1=O 14732185 VXUXMBJQJYRPJV-KRWDZBQOSA-N 418.469 1.304 0 50 HDAA COc1cc(Cl)c(CN2CC(=O)N(Cc3cccnc3)C[C@@H](O)C2)cc1OC 14740715 JGGZABDEUDLFCU-INIZCTEOSA-N 405.882 1.958 0 50 HDAA COc1ccc(CC[C@@H](C)N(C)CCn2cc(C(=O)N3CCN(C)CC3)nn2)cc1 14885133 OIYZUPCLOFSKFR-GOSISDBHSA-N 414.554 1.627 0 50 HDAA COc1ccc(CN2CCSCC2)cc1OC[C@@H](O)CN1CCCN(C)CC1 19791073 FPBFAJQAPUPFIT-IBGZPJMESA-N 409.596 1.621 0 50 HDAA CCn1nc(C(=O)N2CCCN(C)CC2)c2c1CC[C@H](NCC1(O)CCCCC1)C2 20166175 UIXQXBINUCKKCD-SFHVURJKSA-N 417.598 1.823 0 50 HDAA Cc1cccc2[nH]c(CN(C)[C@H]3CN(S(=O)(=O)c4ccccc4)C[C@@H]3O)nc12 20908674 PYUYHZLKCDXRRQ-ROUUACIJSA-N 400.504 1.737 0 50 HDAA Nc1nc(N[C@H](O)C(Cl)(Cl)Cl)nc(N[C@H](O)C(Cl)(Cl)Cl)n1 25666846 KSWAAUWXVSYKCI-JCYAYHJZSA-N 420.899 1.655 0 50 HDAA Cn1c(Sc2ncnc3[nH]cnc23)nc2c1c(=O)n(Cc1ccccc1)c(=O)n2C 170624362 ABMTTYFXULPQCP-UHFFFAOYSA-N 420.458 1.300 0 50 HDAA COC(=O)[C@@H](CC(C)C)NC(=O)Cn1nc(-c2ccc(OC)cc2F)ccc1=O 252487702 IAEVGRQXHLPZPN-QGZVFWFLSA-N 405.426 1.762 0 50 HDAA CN(C[C@@H]1COc2ccccc2O1)C(=O)c1cc(Cl)sc1S(N)(=O)=O 253405188 HZVLYSRIDAMIPY-SECBINFHSA-N 402.881 1.961 0 50 HDAA COc1cccc2c1OC[C@@H](NS(=O)(=O)c1ccc3c(c1)n(C)c(=O)n3C)C2 590611041 SJCQBJNIRTXZSV-ZDUSSCGKSA-N 403.460 1.168 0 50 HDAA Cc1cc(C)n(CCCNC(=O)C[C@@H]2COc3ccc(C(=O)N(C)C)cc3N2C)n1 670453900 XLWXTJHLLAFHKI-GOSISDBHSA-N 413.522 1.996 0 50 HDAA CC(C)Cc1cc(C(=O)N2C[C@H]3CN(Cc4nccs4)C[C@@]3(CO)C2)nc(O)n1 1772816274 JSOUQCGPRFGQPF-VLIAUNLRSA-N 417.535 1.404 0 50 HDAA O=C(N[C@H]1CCC[C@@H](CNC(=O)c2cnc3cccnn23)C1)c1n[nH]c2c1CCC2 1857670864 GWILZMRPDBJCLR-KGLIPLIRSA-N 407.478 1.660 0 50 HDAA NC(=O)CN1CCC2(CCc3c(N4CCC(O)CC4)nc(-c4ccccc4)nc32)CC1 1857703930 WWHXYMINQNMZKK-UHFFFAOYSA-N 421.545 1.870 0 50 HDAA O=C(CN1CCc2ccccc2C1)N1CC[C@H](O)[C@@](CO)(Cc2ccc(F)cc2)C1 1857712900 WLJMMXDZBLTOFV-UPVQGACJSA-N 412.505 1.998 0 50 HDAA COC(=O)c1ccc(COc2ccc(CN3CC[C@H](CO)[C@H](O)C3)cc2OC)o1 1857716663 CWYCQUXOQCZHEQ-NVXWUHKLSA-N 405.447 1.829 0 50 HDAA COc1ccc(C(=O)N2CCC[C@@](O)(CN3CCc4nocc4C3)C2)c(OC)n1 1857729930 JISIRSZZIVRLPU-HXUWFJFHSA-N 402.451 1.112 0 50 HDAA COCCn1ccnc1CN1CC(=O)N2[C@@H](C[C@H](C(=O)OC)[C@@H]2c2ccccc2)C1 1857731905 SXRQKVHEDOYLOA-WFXMLNOXSA-N 412.490 1.477 0 50 HDAA CCc1nnc(N2C[C@H](C(=O)NCCN(C)CCc3ccccc3)CC2=O)s1 1857733576 PIKSFNQWEFVWJI-MRXNPFEDSA-N 401.536 1.744 0 50 HDAA CNC(=O)CN(CCN(C)CCCOC)S(=O)(=O)c1cc(C)c(OC)c(C)c1 1875303847 QBWDNYBRBXFPSF-UHFFFAOYSA-N 415.556 1.017 0 50 HDAA COc1ccc2c(c1)[C@@H](C)CN(C(=O)[C@H]1Nc3ccccc3S(=O)(=O)N1)CC2 2325749408 BOAJORALTWORDI-DJJJIMSYSA-N 401.488 1.914 0 50 HDAA CS(=O)(=O)N1CCC(Oc2ccccc2C(=O)NCCc2ccncc2)CC1 11844130 OTZIZIUSHDIUOK-UHFFFAOYSA-N 403.504 1.857 0 50 HDAA COCCN1C(=O)C[C@@](CC(=O)NCCc2ccccn2)(c2ccccc2C)C1=O 12247216 RHCPTIWOOQTNMZ-QHCPKHFHSA-N 409.486 1.782 0 50 HDAA O=S(=O)(NC[C@H]1CCCN(S(=O)(=O)c2cccnc2)C1)c1cccs1 12438579 VPALJEXHRAOVPD-CYBMUJFWSA-N 401.535 1.522 0 50 HDAA CCOC(=O)N1CCN(C(=O)C[C@@H]2C(=O)NCCN2CCCc2ccccc2)CC1 14969607 JKXLYJBLRZMBLN-LJQANCHMSA-N 416.522 1.110 0 50 HDAA O=C(CN1C(=O)CSC1=O)N[C@@H]1CCCN(c2ccc(C(F)(F)F)cn2)C1 19111224 MXWQPNSSNNYPSH-LLVKDONJSA-N 402.398 1.881 0 50 HDAA COC(=O)[C@@H]1[C@H](c2ccccc2)N[C@@H](c2ccccc2)[C@H](C(=O)OC)S1(=O)=O 19301148 HXZGSGMQZHHVEH-XLAORIBOSA-N 403.456 1.570 0 50 HDAA COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NC[C@H](C)CN3CCCC3)C2)cc1 72437101 PFCKZGUAMLSVOT-ZWKOTPCHSA-N 423.579 1.944 0 50 HDAA COCC(=O)N1CCC(Oc2ccccc2C(=O)NCc2snnc2C)CC1 95511306 MMKFNVDYZCZOGU-UHFFFAOYSA-N 404.492 1.793 0 50 HDAA C[C@H](OC(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1)c1cnc(C2OCCO2)s1 252509941 YYWCMKAQNSBTGP-FZMZJTMJSA-N 416.459 1.913 0 50 HDAA COC(=O)c1cnc(O)c([C@@H](CC(N)=O)c2cc(OC)c(OC)c(OC)c2)c1O 253623864 RJVSWRQUJZCHKK-JTQLQIEISA-N 406.391 1.313 0 50 HDAA biogenic O=C(NC[C@@H]1CN(C2CCN(C3CCC3)CC2)C(=O)CO1)c1ccc(F)cc1F 299790712 CJLWMKKQKQDFII-QGZVFWFLSA-N 407.461 1.939 0 50 HDAA CNS(=O)(=O)c1ccc(NC(=O)N2C[C@@H]3CN(Cc4ccccc4)C[C@@H]3C2)nc1 468012220 RLXFXMWCZJELLX-CALCHBBNSA-N 415.519 1.585 0 50 HDAA Cc1cc(C(=O)N[C@H]2CCCN(C(=O)c3ccco3)C2)cc(S(N)(=O)=O)c1C 670444661 MDEXEVWERZOVPF-HNNXBMFYSA-N 405.476 1.578 0 50 HDAA CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC1CCN(c2ccc(F)c(F)c2)CC1 1704324887 GMHIKNFHBKZFKG-UGSOOPFHSA-N 403.495 1.430 0 50 HDAA CCCn1ncc(CN2C[C@H]3CN(c4nc(N)nc(C)c4Cl)C[C@@]3(CO)C2)c1C 1772819056 ONKVUWKLXHMCDI-OXJNMPFZSA-N 419.961 1.866 0 50 HDAA CC(C)c1nc(CN2C[C@@H]3CN(C(=O)Cn4cccn4)C[C@@]3(CN(C)C)C2)co1 1775979396 HTDZABYCNUOUIJ-DYESRHJHSA-N 400.527 1.517 0 50 HDAA CN=c1ncc(C(=O)N2CCC[C@@]3(CCc4c(O)nc(-c5cccnc5)nc43)C2)c[nH]1 1857699950 FWBIRVHFFOBJTI-JOCHJYFZSA-N 417.473 1.618 0 50 HDAA CC(C)c1nnc(N2C[C@@H](C(=O)NCC3(CN4CCN(C)CC4)CC3)CC2=O)s1 1857719902 WZMXLEAFSJVOFW-HNNXBMFYSA-N 420.583 1.158 0 50 HDAA CC1(C)CC[C@H](NC(=O)[C@@H]2CN3CCN2CC3)[C@H](CNc2ncnn3cccc23)C1 1875328093 YCNNKELRFGKEEM-LNLFQRSKSA-N 411.554 1.452 0 50 HDAA Cc1ccc(OCc2nnc(NC(=O)CN(C)[C@H]3CCS(=O)(=O)C3)s2)c(C)c1 2100540305 HWSZTBRXVIKVJN-AWEZNQCLSA-N 424.548 1.791 0 50 HDAA COc1cccc(NC(=O)NCc2ccc3c(c2)C(=O)N([C@H]2CCC(=O)NC2=O)C3)c1 2325886763 ICTWDYQLQJUYEI-SFHVURJKSA-N 422.441 1.778 0 50 HDAA O=C1CC[C@@H](N2Cc3ccc(NC(=O)c4cc5nn[nH]c5cc4F)cc3C2=O)C(=O)N1 2325895521 CKUGNKILHZNVDE-MRXNPFEDSA-N 422.376 1.110 0 50 HDAA O=C1CN(S(=O)(=O)CCOc2ccccc2)CC(=O)N1CCc1ccccc1 762968 PWULRKGVRJCSMW-UHFFFAOYSA-N 402.472 1.309 0 50 HDAA CCS(=O)(=O)c1c(S(=O)(=O)CC)c2cc(-c3ccncc3)ccn2c1C(N)=O 6238624 VCEUDOGHZHRPGE-UHFFFAOYSA-N 421.500 1.687 0 50 HDAA COc1ccc(CN2CCC[C@H](n3cc(C(=O)NCCO)nn3)C2)c2ccccc12 15070501 KGRQYOBVPBFQRO-KRWDZBQOSA-N 409.490 1.999 0 50 HDAA CCN(CCn1cccn1)C(=O)C[C@@H]1C(=O)NCCN1Cc1ccc(F)cc1Cl 55119282 AGHHMEVUQOERCM-GOSISDBHSA-N 421.904 1.915 0 50 HDAA O=C(c1cccc(O)c1)N1CCC(N2CCC[C@H](C(=O)N3CCOCC3)C2)CC1 71746574 OTULCGOWLGQGKL-SFHVURJKSA-N 401.507 1.568 0 50 HDAA CCS(=O)(=O)N1CCC(N2CCC[C@H](C(=O)NCCc3ccccc3)C2)CC1 82137300 YJKGAAGPGXZEDH-IBGZPJMESA-N 407.580 1.871 0 50 HDAA COc1cccc(S(=O)(=O)N2CCN(c3ccnc(N4CCCC4)n3)CC2)c1 82230622 QQBXVHLICQMWKP-UHFFFAOYSA-N 403.508 1.596 0 50 HDAA C[C@H](NS(=O)(=O)c1cccc(C(=O)NCc2cnn(C)c2)c1)c1ccncn1 95376758 VPRPNCBNSAWFIK-ZDUSSCGKSA-N 400.464 1.180 0 50 HDAA O=C1N[C@H](CC(=O)N2CCC[C@H](c3nnc4ccccn34)C2)C(=O)Nc2ccccc21 409413171 CFRCXCORASKXJQ-WMLDXEAASA-N 418.457 1.576 0 50 HDAA CNC(=O)[C@@H]1Cc2cc(OC)c(OC)cc2CN1C(=O)COc1coc(C)cc1=O 409414088 NKPVUOBRBZTBQY-HNNXBMFYSA-N 416.430 1.044 0 50 HDAA biogenic O=C1C[C@H](C(=O)N(CCO)Cc2cnn(Cc3ccccc3)c2)[C@H]2CCCC[C@H]2N1 1466160748 ZHJBFEMSHCONJE-QHAWAJNXSA-N 410.518 1.947 0 50 HDAA Cc1cccc(-c2ccccc2C(=O)N2C[C@H](CS(=O)(=O)N(C)C)[C@@H](O)C2)c1 1616080338 HEFCDMYTSHRCML-XLIONFOSSA-N 402.516 1.986 0 50 HDAA O=C(c1ccc2c(c1)nc(O)n2[C@H]1CC[C@H](O)CC1)N1CCC([C@H](O)CO)CC1 1772708413 BEGBZMKJWJQXEK-GPMSIDNRSA-N 403.479 1.423 0 50 HDAA CN(C)[C@H]1CS(=O)(=O)[C@H]2CN(Cc3cnc4c(-c5ccccc5)cnn4c3)C[C@@H]12 1857689018 BNXKQEYTXAZMDU-UFYCRDLUSA-N 411.531 1.555 0 50 HDAA CCn1nc(C(C)C)cc1C(=O)N[C@@H]1CCC[C@H](NC(=O)c2c[nH]c(=O)cn2)C1 1857696920 QUULGWKXLCNJQV-UONOGXRCSA-N 400.483 1.581 0 50 HDAA Cc1cc(C)n(C)c(=O)c1C(=O)N1CC[C@@]23O[C@H](c4ccccc4)CN2C(=O)C[C@@H]13 1875246544 QXTCNSCXYMLQOF-IXFSTUDKSA-N 407.470 1.917 0 50 HDAA COc1ccc(F)cc1C(=O)N[C@@H]1CN(C(=O)C[C@@H]2CCNC2=O)CC(C)(C)C1 1875334840 HLLYUBWZHQUZFO-ZFWWWQNUSA-N 405.470 1.717 0 50 HDAA CCOC(=O)N1CCN([C@@H]2CC(=O)N(c3cccc(Br)c3)C2=O)CC1 705748 IANVDKHGYZMVTR-CQSZACIVSA-N 410.268 1.855 0 50 HDAA COc1cccc(C(=O)N2CCN(S(=O)(=O)c3ccc(NC(C)=O)cc3)CC2)c1 900021 AKZALGQKHOWRNV-UHFFFAOYSA-N 417.487 1.800 0 50 HDAA CC(C)C(=O)N[C@H](NC(=S)N[C@@H]1CCS(=O)(=O)C1)C(Cl)(Cl)Cl 8828586 IBYYVEJYNOPOAS-VXNVDRBHSA-N 410.776 1.106 0 50 HDAA CCN1CCC[C@H]1CNC(=O)CCC1CCN(C(=O)CCCn2cncn2)CC1 12050800 WEABWPAODKCKRK-IBGZPJMESA-N 404.559 1.678 0 50 HDAA O=S1(=O)CC[C@@H](N(CCO)c2nncc(-c3cccc(C(F)(F)F)c3)n2)C1 19782189 FQQJNPFJFDSIQW-CYBMUJFWSA-N 402.398 1.543 0 50 HDAA NC(=O)C1CCN(C(=O)c2ccc3c(c2)C(=O)N(CCc2ccccc2)C3=O)CC1 32073477 MSYVMBMTNUPTNJ-UHFFFAOYSA-N 405.454 1.863 0 50 HDAA O=C1NC(=O)[C@@](Cc2ccc(F)cc2)(C2CCN(c3ncnc4[nH]cnc34)CC2)N1 67773727 OZFRJQXEDATWKH-HXUWFJFHSA-N 409.425 1.529 0 50 HDAA C[C@@H](c1noc(-c2ccccc2)n1)N1CCN(S(=O)(=O)Cc2ccon2)CC1 170610775 WRIYOQOOEHJLTE-AWEZNQCLSA-N 403.464 1.933 0 50 HDAA C[C@@](O)(CNC(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1)C1CCCCC1 170611516 JVPXNAASAHCLDR-HXUWFJFHSA-N 409.552 1.930 0 50 HDAA CCOC(COCCNC(=O)CN1C(=O)NC2(CCC(CC)CC2)C1=O)OCC 170614327 FVPZZDVNERXYFB-UHFFFAOYSA-N 413.515 1.409 0 50 HDAA COc1ccc(CCN2C(=O)N[C@H](CC(=O)Nc3ccc4c(c3)OCO4)C2=O)cc1 206253912 LHNPUXTWWVUYNQ-MRXNPFEDSA-N 411.414 1.916 0 50 HDAA O=C(CC[C@H]1N=C(O)N(Cc2ccccc2Cl)C1=O)NCCN1CCOCC1 252536309 ICTOQDDYCLLZOS-MRXNPFEDSA-N 408.886 1.193 0 50 HDAA COC(=O)c1cn(-c2ccc3c(c2)CCCN3S(C)(=O)=O)cc2c(=O)[nH]nc1-2 253414007 WFFSMIXXUATMTE-UHFFFAOYSA-N 402.432 1.164 0 50 HDAA O=C(CSc1ccncc1)NC[C@H]1CN(C2CCN(C3CCC3)CC2)C(=O)CO1 426432060 UFGPYVQOMZLNNK-SFHVURJKSA-N 418.563 1.534 0 50 HDAA O=C(CN1C(=O)CNC1=O)N1CC[C@@]2(CCCN(CCC3CCCCC3)C2=O)C1 426445619 NXHCPYFDTLACHL-NRFANRHFSA-N 404.511 1.350 0 50 HDAA CCn1nc(NC(=O)[C@@H]2CN(Cc3nc(O)c4ccccc4n3)CCO2)cc1C1CC1 427238916 YNQVFJVJLHZTSM-SFHVURJKSA-N 422.489 2.269 0 50 HDAA O=S1(=O)CC[C@H](NS(=O)(=O)c2ccc(-c3cc(C(F)(F)F)on3)o2)C1 670459243 LZUDWSMCTVWXHM-ZETCQYMHSA-N 400.356 1.419 0 50 HDAA O=C1C[C@H](C(=O)N(CCO)Cc2cnn(Cc3ccccc3)c2)[C@@H]2CCCC[C@H]2N1 1466160747 ZHJBFEMSHCONJE-PCCBWWKXSA-N 410.518 1.947 0 50 HDAA O=C(c1ccnc(N2CCCN(S(=O)(=O)N3CCCC3)CC2)c1)N1CCCCC1 1704300750 VXSPPKSIDMKMKV-UHFFFAOYSA-N 421.567 1.560 0 50 HDAA Nc1ncccc1CN1C[C@H]2CN(C(=O)c3ccc4ncsc4c3)C[C@]2(CO)C1 1772806122 ZDJXCGAMBXLSCV-KKSFZXQISA-N 409.515 1.840 0 50 HDAA COc1ccc(S(=O)(=O)N2CCCN(C(=O)C3CCOCC3)CC2)cc1F 1775980770 JPLCZQZOEQXLFF-UHFFFAOYSA-N 400.472 1.484 0 50 HDAA Cn1ccnc1[C@]1(CNC(=O)c2c[nH]cc2-c2ccc(Cl)s2)NC(=O)NC1=O 1775985528 JHULRWSZRHAGLV-KRWDZBQOSA-N 418.866 1.595 0 50 HDAA N=c1cc(-c2nccn2C[C@@H]2CN(CC3CCN(CC4CC4)CC3)C(=O)CO2)cc[nH]1 1857730481 TUJWLBINLKUYLO-HXUWFJFHSA-N 424.549 1.707 0 50 HDAA O=C(CCc1ccc(C(F)(F)F)cc1)N[C@H]1CC(=O)N(CCN2CCOCC2)C1 2325733343 STIZXFBXEHHFOW-KRWDZBQOSA-N 413.440 1.687 0 50 HDAA O=C(c1cccc(Br)c1)N1CCN(S(=O)(=O)N2CCCCC2)CC1 4727734 ZGVNKBHFRKUUKF-UHFFFAOYSA-N 416.341 1.938 0 50 HDAA CCc1cccc(NC(=O)N[C@H]2C[C@H]3C(=O)N[C@H](Cc4ccc(O)cc4)C(=O)N3C2)c1 14748903 JUNPIXMSKMQJPR-SXLOBPIMSA-N 422.485 1.787 0 50 HDAA CCN1CCN(C[C@H](O)COc2cccc(CN(C)Cc3cn(C)nc3C)c2)CC1 19337160 OHZYXOILPRCPDC-QFIPXVFZSA-N 415.582 1.738 0 50 HDAA COc1cc(CN2CCc3nnc(CNC(=O)[C@@H]4CCOC4)n3CC2)cc(OC)c1 19838709 PXMFGDRZQYNPGL-MRXNPFEDSA-N 415.494 1.006 0 50 HDAA CN(C)S(=O)(=O)N1CCC[C@H](C(=O)NCC2(c3ccccc3)CCOCC2)C1 72441860 XFZZMTHBSIWVDI-KRWDZBQOSA-N 409.552 1.369 0 50 HDAA CCCCN1CCN([C@@H](C(=O)N2CCCN(CC)CC2)c2ccccc2)C(=O)C1=O 77393318 NNBIBWFGFWXFBS-HXUWFJFHSA-N 414.550 1.753 0 50 HDAA C[C@H](C(=O)OCc1cccc(S(=O)(=O)N(C)C)c1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O 247932985 GLHGMXDZHAXVJS-KBRIMQKVSA-N 420.487 1.320 0 50 HDAA O=C(c1scnc1C1CC1)N1CCC[C@H](n2ncc(N3CCOCC3)cc2=O)C1 328604251 JDMLWXORUARPEE-HNNXBMFYSA-N 415.519 1.891 0 50 HDAA COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1C(=O)Nc1ccnn1[C@@H]1CCS(=O)(=O)C1 328605493 OAPZEMDACSJIGD-OWDMVUQNSA-N 417.487 1.930 0 50 HDAA O=C1NC[C@H](O)Cn2nc(C(=O)N(CCc3ccccc3)Cc3ccccc3)cc21 426619953 AOANIONLNLJAKQ-IBGZPJMESA-N 404.470 1.873 0 50 HDAA CC(C)COc1cn(-c2ccccc2)nc1C(=O)N1CCC[C@]2(C1)NC(=O)NC2=O 447754475 AIAWCKBAXPOTDT-OAQYLSRUSA-N 411.462 1.721 0 50 HDAA CN(C)S(=O)(=O)c1ccccc1-c1noc(Cc2csc(-c3nc[nH]n3)n2)n1 761489671 JLDCDLWKRDIESJ-UHFFFAOYSA-N 417.476 1.819 0 50 HDAA Cc1nonc1CN1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 921196773 UQJRTZFJQOFZLH-UHFFFAOYSA-N 407.315 1.709 0 50 HDAA COCCc1noc([C@H]2CCCCN2C(=O)Cc2ccc(S(C)(=O)=O)cc2)n1 952868134 ZFMNAUUHQWBKFF-MRXNPFEDSA-N 407.492 1.958 0 50 HDAA CC(C)Oc1ccc(S(C)(=O)=O)cc1C(=O)NCC(C)(C)N1CCN(C)CC1 1875256585 CZGYKQNZZWQHEM-UHFFFAOYSA-N 411.568 1.633 0 50 HDAA C[C@@H]1CN(c2ccc(NC(=O)c3nccnc3C(=O)N3CCOCC3)cc2)CCO1 1875263583 URANVKCOJHYPDV-OAHLLOKOSA-N 411.462 1.426 0 50 HDAA CCOC(=O)Cn1c(=O)oc2cc(S(=O)(=O)NCCc3ccc(C)cc3)ccc21 4958914 CAFCECGNPJFAFM-UHFFFAOYSA-N 418.471 1.987 0 50 HDAA Cc1ccc(N2CCCn3c2nc2c3c(=O)n(CCCO)c(=O)n2C)cc1Cl 10104849 ZSJXHERHHNVWSF-UHFFFAOYSA-N 403.870 1.783 0 50 HDAA O[C@@H](c1ccccn1)C1CCN(c2nc3nonc3nc2N2CCSCC2)CC1 11668031 ADASZSLBRATCBB-OAHLLOKOSA-N 413.507 1.911 0 50 HDAA Cc1ccccc1CCN1CCC[C@H](CN(C)C(=O)CN2CCC(C(N)=O)CC2)C1 12314029 DCAQWVJGDXHGNS-HXUWFJFHSA-N 414.594 1.905 0 50 HDAA Cc1nc(NCCNS(=O)(=O)c2ccc(F)cc2F)cc(N2CCOCC2)n1 72139986 VKPSUKSOUZKZBS-UHFFFAOYSA-N 413.450 1.290 0 50 HDAA COc1ccc(-c2cc(=NC(=O)c3cccnc3)n([C@H]3CCS(=O)(=O)C3)[nH]2)cc1 334158433 NUBIMOBXWWIUPE-INIZCTEOSA-N 412.471 1.988 0 50 HDAA NS(=O)(=O)CCCC(=O)N1CCC[C@@H](CNC(=O)c2cc(F)ccc2F)C1 952979100 GYYFHLQGOVWIFV-LBPRGKRZSA-N 403.451 1.002 0 50 HDAA COc1ccc(C(=O)N2CCOCC2)cc1NC(=O)N1[C@H](C)C(=O)N[C@H](C)[C@H]1C 1476064002 XHDCENBWYJWIIV-MGPQQGTHSA-N 404.467 1.297 0 50 HDAA O=C(O)COc1ccc(CN[C@@H]2C3CN4CCN(C3)CC2(c2ccccc2)C4)cc1 1529147398 YPCSNTRUAMJWMU-PAHOBDAQSA-N 407.514 1.807 0 50 HDAA CCc1cc(=N[C@@H]2C[C@@H](C(=O)NC3CCN(C)CC3)CC[C@H]2OC)[nH]c(N(C)C)n1 1857703407 LEBNSBXHRWYGPX-KFKAGJAMSA-N 418.586 1.333 0 50 HDAA CN(C)C(C)(C)CNC(=O)[C@H]1CC(=O)N(c2nnc(Cc3ccccc3)s2)C1 1857716650 CTSLKVZKXXWXHG-HNNXBMFYSA-N 401.536 1.938 0 50 HDAA Cc1nccc(-c2ccccc2)c1C(=O)N1C[C@H](O)[C@H](CS(=O)(=O)N(C)C)C1 1857736757 UKEBTTHTIZIMBI-WMZOPIPTSA-N 403.504 1.381 0 50 HDAA Cc1nc(CC(=O)N2CCCC3(CCN(C(=O)[C@@H]4C[C@H]4[C@H]4CCCO4)CC3)C2)n[nH]1 1875331395 YIFRBEOQAUTYAR-KZNAEPCWSA-N 415.538 1.702 0 50 HDAA C[C@H](NC(=O)Cc1ccc2c(c1)CCC(=O)N2)C(=O)Nc1ccc(-n2cncn2)cc1 1875340745 PRHVTYPBMHAHCI-AWEZNQCLSA-N 418.457 1.838 0 50 HDAA CC(=O)N[C@H](C(=O)N1CCC[C@@H]1C(=O)NCc1c(C)cc(=N)[nH]c1C)c1ccccc1 1875362750 RBKDJFHEAJJXCJ-CTNGQTDRSA-N 423.517 1.596 0 50 HDAA CCOc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCOCC3)CC2)cc1Cl 4488423 KKXHRBYJIDZSGZ-UHFFFAOYSA-N 416.927 1.998 0 50 HDAA Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCCCN1CCCCC1 7923180 ISCPLWBHJGVQIN-UHFFFAOYSA-N 409.552 1.622 0 50 HDAA COCCC(=O)N1CCC(Oc2ccc(C(=O)N3CC[C@@H](N(C)C)C3)cc2)CC1 11768527 HAFDOZSZGXNQCU-GOSISDBHSA-N 403.523 1.869 0 50 HDAA O=C(c1cc(Cl)cc(Cl)c1)N1CCN2C(=O)[C@@H]3CSCN3C(=O)[C@H]2C1 14741071 RYQKBQPIUIBFIR-OLZOCXBDSA-N 400.287 1.562 0 50 HDAA CN(Cc1ccccc1)C[C@@H](O)COc1ccc(CNCCN2CCOCC2)cc1 19640692 KHLCTKYQNUFARA-HSZRJFAPSA-N 413.562 1.980 0 50 HDAA O=S1(=O)CC[C@]2(C[C@H](NS(=O)(=O)c3ccc(Br)cc3)CCO2)C1 170591848 GKJGATVPVXEFOQ-OCCSQVGLSA-N 424.338 1.464 0 50 HDAA O=S(=O)(NCCOc1cccnc1)c1cc2c(cc1Br)OCCO2 170626901 RPOUPVKAJVWSHD-UHFFFAOYSA-N 415.265 1.973 0 50 HDAA COc1ccc(CN2C(=O)N[C@@H](CC(=O)N[C@H](C)c3nnc4ccccn34)C2=O)cc1 223218853 RMOCCXKVKGJKBE-CJNGLKHVSA-N 422.445 1.426 0 50 HDAA CC(C)(C)NC(=O)CN1CCC(N2C[C@H](COc3ccc(F)cc3)OCC2=O)CC1 299781600 RJLGSCCYUABFMD-LJQANCHMSA-N 421.513 1.811 0 50 HDAA COc1ccc(C(=O)N2CCC[C@H](n3ncc(N4CCOCC4)cc3=O)C2)cc1F 328604031 IDKXUWYUQQJPPN-INIZCTEOSA-N 416.453 1.705 0 50 HDAA Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)N1C[C@@H](C)OC2(CCOCC2)C1 468542298 NWKIRCQOJFGICV-CYBMUJFWSA-N 415.494 1.174 0 50 HDAA Cc1ccc(N2CCC(N3CCN(S(=O)(=O)N4CCOCC4)CC3)CC2)cc1 1506419221 YXYWRYIYXXTHFX-UHFFFAOYSA-N 408.568 1.158 0 50 HDAA Nc1ncc2c(n1)[C@]1(CCCN(S(=O)(=O)CCOc3ccccc3F)C1)CC2 1704309965 UHMTZESPVHAPPJ-LJQANCHMSA-N 406.483 1.887 0 50 HDAA Cn1c(=O)c(CN2C[C@H]3CN(Cc4nccs4)C[C@@]3(CO)C2)cc2ccccc21 1772706934 XADHHRIAVFRDHJ-PGRDOPGGSA-N 410.543 1.921 0 50 HDAA CCOC(=O)C1CCN(C(=O)CN(c2ccc(F)c(F)c2)S(C)(=O)=O)CC1 4988592 YLTAVJIFMJVSEN-UHFFFAOYSA-N 404.435 1.533 0 50 HDAA CCOc1cc(CN2CCC[C@@H](n3cc(C(=O)NCCCO)nn3)C2)ccc1OC 14993170 GWJPNBLSGFEPBL-QGZVFWFLSA-N 417.510 1.635 0 50 HDAA CC(C)=CCN1CCNC(=O)[C@@H]1CC(=O)NCCc1nc(C)cc(C(F)(F)F)n1 19335717 ANCAEXYBMKVDMY-AWEZNQCLSA-N 413.444 1.619 0 50 HDAA CCCCC(=O)Nc1ccc2c(c1)nc(CN1CCN(S(C)(=O)=O)CC1)n2C 20706802 KSWIGRCEEPJWOC-UHFFFAOYSA-N 407.540 1.779 0 50 HDAA COCCCNC(=O)c1nn(C)c2c1CN([C@@H]1CCN(Cc3ccccc3)C1)CC2 23354260 CZEQBWFOZPBOGX-LJQANCHMSA-N 411.550 1.819 0 50 HDAA Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C(=O)O)CC2)cc1C 239377852 ODCHDDDWJGNJAS-RNIPGJKVSA-N 418.515 1.659 0 50 HDAA CS[C@@H]1CN(S(=O)(=O)CCC(=O)OCc2ccccc2)C[C@H]1N1CCCC1 253370554 SKHGGXJYVIMRPW-QZTJIDSGSA-N 412.577 1.961 0 50 HDAA COC(=O)c1cn(CCn2c(=O)c(O)nc3cc(Cl)ccc32)cc2c(=O)[nH]nc1-2 263587040 BIJKXAYKZJSIIA-UHFFFAOYSA-N 415.793 1.232 0 50 HDAA COc1ccc(-c2noc(CN3CCN(C(=O)[C@H]4CCc5cncn5C4)CC3)n2)cc1 328592602 NBBVFNZAYUOQLB-KRWDZBQOSA-N 422.489 1.849 0 50 HDAA Cc1nn(C)c(C)c1CN1C[C@H]2CN(C(=O)c3cnc(O)c(Cl)c3)C[C@]2(CO)C1 1772809825 GAOSJXZXXHSYDF-YWZLYKJASA-N 419.913 1.357 0 50 HDAA Cc1nc(-c2cccnc2)ncc1C(=O)N1CCC2(CC1)NCC(C)(C)CNC2=O 1772818761 KWNOXBZGOURTDQ-UHFFFAOYSA-N 408.506 1.567 0 50 HDAA COc1cc(Oc2cc(C(=O)N[C@H]3CNC[C@@H]3OC)ccc2OC)ccc1CN 1857706335 FTMRFKPRGBSAMC-JXFKEZNVSA-N 401.463 1.671 0 50 HDAA Cc1nccn1CCC(=O)N1CCO[C@@H](CN2CCCCC2)[C@@H]1c1cnn(C)c1 1857719664 SHMCSMGBFXOOIO-FPOVZHCZSA-N 400.527 1.770 0 50 HDAA COc1cccc(C(=O)N[C@H]2CC[C@H](C(=O)NCCn3ccnn3)C[C@@H]2OC)c1 1875250157 BRRHGEMJWNWJBY-SZMVWBNQSA-N 401.467 1.017 0 50 HDAA O=C(O)c1cncc(-n2cc(CC3CCN(C(=O)c4cncc(F)c4)CC3)nn2)c1 1875324638 GPNRFEXHQBHRPK-UHFFFAOYSA-N 410.409 1.990 0 50 HDAA CCn1cc(C(=O)C(=O)N[C@@H]2CN(C(=O)[C@@H]3CCC[C@H]3C3CC3)C[C@@H]2OC)cn1 2325872527 BIWBANKURXRUFL-MLHJIOFPSA-N 402.495 1.254 0 50 HDAA CN(C)c1ncc2c(n1)[C@@]1(CCCN(C(=O)CCC(=O)Nc3nncs3)C1)CC2 2356140337 FKVWKGRPLNEFOT-IBGZPJMESA-N 415.523 1.619 0 50 HDAA COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](C)NC(=O)OCc1ccccc1 1640104 YJQURCNBCROTGE-KDOFPFPSSA-N 400.431 1.907 0 50 HDAA Cc1ncc2c(c1CNS(=O)(=O)N(C)C)CCN(C(=O)c1ccc(F)cc1F)C2 11785763 WEDOUTHMSFBYMS-UHFFFAOYSA-N 424.473 1.763 0 50 HDAA O=C(C[C@H]1C(=O)NCCN1Cc1ccccc1)NCc1ccc(-n2cccn2)cc1 12208901 CBCWPNBKAKUBGB-NRFANRHFSA-N 403.486 1.879 0 50 HDAA COC(=O)C1CCN(C(=O)C[C@@H]2C(=O)NCCN2Cc2cccc3ccccc23)CC1 12753159 DCMLJDVPKCDXJK-OAQYLSRUSA-N 423.513 1.942 0 50 HDAA CC(=O)N1CCN(C(=O)[C@@H]2CCCN(C3CCN(Cc4ccncc4)CC3)C2)CC1 82162145 KCBLDVSJCGJHTI-OAQYLSRUSA-N 413.566 1.449 0 50 HDAA O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1c1cccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)n1 104307280 XUHBJVKFPCUALP-HCXGTVIXSA-N 401.422 1.705 0 50 HDAA O=C(CCCn1cnnn1)N1CC[C@H]2[C@H](CCC(=O)N2CCc2cccs2)C1 216192281 HDBYKAWYLNVRTF-WBVHZDCISA-N 402.524 1.597 0 50 HDAA O=C(CC[C@@H]1N=C(O)N(c2cccc3ccccc23)C1=O)NCCN1CCOCC1 252482725 DMLNGOVAFJDNMN-SFHVURJKSA-N 410.474 1.698 0 50 HDAA O=C(CN1C[C@H]2CCC[C@@]2(c2nc(Cc3ccccc3)no2)C1)N1CCN=C(O)C1 328603558 GNDNHGGTXFWYDG-VGOFRKELSA-N 409.490 1.813 0 50 HDAA Cc1nn(Cc2ccccc2)c(C)c1[C@@H]1COCCN1S(=O)(=O)c1cnnn1C 480864959 NVOZJHFTDAUNQS-KRWDZBQOSA-N 416.507 1.439 0 50 HDAA O=C(OCc1ccccc1)N1CC(S(=O)(=O)N[C@H](CO)Cc2ccc(F)cc2)C1 766861926 MNKSLMLJOYCJDI-SFHVURJKSA-N 422.478 1.670 0 50 HDAA CS(=O)(=O)NCC(=O)N1CCC[C@]2(CCc3cnc(-c4ccccc4)nc32)C1 1704312919 FEMRKWAUHFTGLK-FQEVSTJZSA-N 400.504 1.499 0 50 HDAA COc1ccc(S(N)(=O)=O)cc1C(=O)N[C@@H]1CCCC12CCN(C(C)=O)CC2 1857676716 WSMKGPNBDDKULT-QGZVFWFLSA-N 409.508 1.254 0 50 HDAA CC[C@@H]1[C@H](C(=O)NCCc2cnc[nH]2)C[C@@H]2CN(Cc3ccc(C)s3)CC(=O)N21 1857684927 KKSCNDFTWBFLAY-BHIYHBOVSA-N 415.563 1.950 0 50 HDAA Cc1onc(-c2ccccc2)c1C(=O)N1C[C@@H]2CC[C@H]1[C@@H]2C(=O)N1CCNC(=O)C1 1857708295 LYHJVGCSWVELAD-TXPKVOOTSA-N 408.458 1.459 0 50 HDAA CCNC(=O)N1CC(=O)N2[C@@H](C[C@H](C(=O)N(C)Cc3ccon3)[C@@H]2CC(C)C)C1 1857711097 GZZYIKAYFLDHNJ-ULQDDVLXSA-N 405.499 1.310 0 50 HDAA Cc1ccc2c(c1)C(=O)NCCN(C(=O)c1cccn1C)CCCC(=O)NCCO2 1857713073 COTHCBOJZJHUBV-UHFFFAOYSA-N 412.490 1.495 0 50 HDAA Cc1nnc(C(=O)N(C)C2C[C@@H]3CC[C@H](C2)N3C(=O)[C@H]2CC[C@@H]3CCC(=O)N32)s1 1875362032 MTIGCSIOFVLWKZ-WOFIAXNJSA-N 417.535 1.594 0 50 HDAA Cc1cnc(F)c(C(=O)N2CC[C@H]([C@@H]3CCCN3C(=O)c3cc(C(N)=O)[nH]n3)C2)c1 1875389134 DFBKFTFDBJLJAB-LRDDRELGSA-N 414.441 1.118 0 50 HDAA CC[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C=CCN1C(=O)OC(C)(C)C)N(C)C 2325872755 LSTNXXDHQVRQRL-LUKYLMHMSA-N 406.527 1.314 0 50 HDAA O=C1[C@H]2C3C=CC([C@H]2C(=O)N1c1nccs1)[C@H]1C(=O)N(c2nccs2)C(=O)[C@@H]31 2490424 CMPOSIGUSGELIZ-FHGSHYRNSA-N 412.452 1.327 0 50 HDAA CCOC(=O)c1cnc(SCC(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)nc1N 9273463 BWUMZZJIWGOGEY-UHFFFAOYSA-N 416.463 1.157 0 50 HDAA CC1CCN(Cc2nnnn2CC(=O)N2CCC[C@@H](C(=O)c3ccccn3)C2)CC1 12748628 WEBRPRJWHWKVFT-QGZVFWFLSA-N 411.510 1.422 0 50 HDAA Cc1cccc(CN2CCN3C(=O)[C@H](CSCc4ccccc4)NC(=O)[C@H]3C2)n1 14751235 WNCIQJSYNWDCRZ-VQTJNVASSA-N 410.543 1.835 0 50 HDAA O=C(NCCc1cccc(F)c1)c1coc(CN2CCN(c3ncccn3)CC2)n1 55224728 NBLXNSZIJQIABX-UHFFFAOYSA-N 410.453 1.898 0 50 HDAA CN(C)[C@H]1CCN(CCCN2CC3(CCN(C(=O)c4ccncc4)CC3)OC2=O)C1 77302284 OADFNSAINVXFIS-IBGZPJMESA-N 415.538 1.535 0 50 HDAA Cc1ccc(C)c(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N(C)Cc3cc[nH]n3)[C@H]4C2=O)c1 77376180 QCOALOYPLVCLQH-SRYPRDQNSA-N 406.486 1.967 0 50 HDAA CCCCN1CCN([C@@H](C(=O)N(C)Cc2nnc(C)o2)c2ccccc2)C(=O)C1=O 77470760 HTJNNZIUXHTDJT-GOSISDBHSA-N 413.478 1.549 0 50 HDAA O=C(NCCN1CCOC1=O)c1cnc(Cc2c(Cl)cccc2Cl)[nH]c1=O 91551315 LLOCMWLZNAURPQ-UHFFFAOYSA-N 411.245 1.850 0 50 HDAA CCOC(=O)c1ccc(N2C(=O)C[C@@H](N3CCC(C(=O)OCC)CC3)C2=O)cc1 95531921 OSADRUUWTZOILU-QGZVFWFLSA-N 402.447 1.770 0 50 HDAA O=C(Nc1ccc(S(=O)(=O)N2C[C@@H]3C[C@H]4C[C@H]3[C@H]2[C@@H]4O)cc1)c1cnccn1 408521310 PDXMXYNDZQBQFG-WJPHHUGGSA-N 400.460 1.119 0 50 HDAA Cc1nn(-c2ccc(F)cc2)c(C)c1CNS(=O)(=O)N1CCC[C@@H](C(=O)O)C1 670463443 PCBCWVPVGYFSMU-CQSZACIVSA-N 410.471 1.759 0 50 HDAA COc1cc(CN2CCC(c3nc[nH]n3)CC2)ccc1OCC(=O)N1CCOCC1 824609272 XODVJEQJQHZRDL-UHFFFAOYSA-N 415.494 1.431 0 50 HDAA O=C1C[C@H](Sc2ccccc2C(=O)NCCc2nc(-c3ccccn3)no2)C(=O)N1 828295568 GNDRGHVPCGDQLD-HNNXBMFYSA-N 423.454 1.611 0 50 HDAA CCOc1cc(C)c(Cl)cc1S(=O)(=O)N[C@H](C)c1n[nH]c(CC(=O)O)n1 1506396414 IIJNOYRKUWMXDB-SECBINFHSA-N 402.860 1.832 0 50 HDAA CCNC(=O)N1CC(=O)N2[C@@H](C[C@H](C(=O)NCc3ccncc3)[C@@H]2CC(C)C)C1 1857695394 IDSUSJBHZSFLCX-BZSNNMDCSA-N 401.511 1.375 0 50 HDAA Cn1nc(C2CC2)cc1C(=O)N1CCO[C@@H](CN2CCOCC2)[C@@H]1c1cccnc1 1857711698 CNWVGKOWJSAWTD-SFTDATJTSA-N 411.506 1.607 0 50 HDAA NC(=O)c1ccc(-c2nc([C@H]3CCn4nccc4C3)n(CCc3cnc[nH]3)n2)cc1 1857734779 RHQXFKZUIYMTFB-INIZCTEOSA-N 402.462 1.936 0 50 HDAA Cc1n[nH]c(C)c1CNC(=O)[C@H]1CC[C@H](NC(=O)COc2ccccc2)[C@@H](O)C1 1875245228 QKZIWECEQOYTLR-SNRMKQJTSA-N 400.479 1.368 0 50 HDAA O=C(N[C@@H]1C[C@H](C(=O)N2CCC(F)CC2)C[C@H]1O)c1cccc(-n2cnnc2)c1 1875249660 NZJZAYJHVCHLGG-BMGDILEWSA-N 401.442 1.097 0 50 HDAA C=CC(=O)NCc1cn(-c2cccc(CNC(=O)c3nc(C)c(C)nc3C)c2)nn1 1875386591 UWRSLRHZAOKHHI-UHFFFAOYSA-N 405.462 1.715 0 50 HDAA O=C(c1cc(=O)c2ccccc2o1)N1CCN(c2nnnn2-c2ccccc2)CC1 2325723715 SAJLOKWHZABVCG-UHFFFAOYSA-N 402.414 1.731 0 50 HDAA O=C(NCc1nnc2n1CCN(C(=O)Cc1ccc(Cl)cc1)CC2)[C@H]1CCOC1 12040654 DMBDHFZDQJHOGH-HNNXBMFYSA-N 417.897 1.212 0 50 HDAA Cc1nnsc1C(=O)N1CC(=O)N(Cc2cccnc2)C[C@H](OCC2CC2)C1 14532987 AXDLHAYIDXCWGD-INIZCTEOSA-N 401.492 1.521 0 50 HDAA CCN1CCN(C[C@@H](O)COc2ccc(CN(C)C3CCOCC3)cc2OC)CC1 20201577 OHTJXTAFGZMWAP-OAQYLSRUSA-N 421.582 1.683 0 50 HDAA Cc1nc2ccccn2c1CN(C)C(=O)[C@H]1CCC(=O)N(CCN2CCOCC2)C1 20514943 FMYONQSVOVUFRY-SFHVURJKSA-N 413.522 1.172 0 50 HDAA CCOC(OCC)[C@](O)(CO)[C@H](OCc1ccc(OC)cc1)[C@H]1COC(C)(C)O1 43763490 GXPITZBRJHUCDS-OPYAIIAOSA-N 414.495 1.854 0 50 HDAA O=C(C(=O)N1CCC(N2CCC[C@@H](C(=O)N3CCOCC3)C2)CC1)c1ccco1 71755391 XXDIDSHXUCUPPO-MRXNPFEDSA-N 403.479 1.024 0 50 HDAA COc1cc2c(cc1OC)CN(C(=O)CC[C@]1(CCC(=O)O)CCC(=O)N1)CC2 219756500 GIRXQMJDHFDBHP-NRFANRHFSA-N 404.463 1.882 0 50 HDAA COc1cc(CN)ccc1Oc1ccc(C(=O)N[C@@H]2COCC[C@H]2O)cc1OC 1857690503 LGHNAGJWXWYFOL-HZPDHXFCSA-N 402.447 1.834 0 50 HDAA NC(=O)COCC(=O)N1CCCCN2CCCC[C@H]2CCc2cccc(c2)OCC1 1857705401 GBAQKRTVDRSUBY-FQEVSTJZSA-N 417.550 1.977 0 50 HDAA CC[C@H]1[C@@H](C(=O)N2CCC(C)CC2)C[C@H]2CN(C(=O)c3nonc3C)CC(=O)N21 1857727338 QHNWHIOCVDPRSU-JYJNAYRXSA-N 403.483 1.088 0 50 HDAA O=C(CCN1C(=O)c2cccc3cccc(c23)C1=O)N1CCN(c2ncccn2)CC1 4275645 OWEJQAOREPPKTR-UHFFFAOYSA-N 415.453 1.965 0 50 HDAA Cn1c(=O)c2c(nc(SCC(=O)NC34CC5CC(CC(C5)C3)C4)n2C)n(C)c1=O 4625422 MBMABXYCKSXMQE-UHFFFAOYSA-N 417.535 1.148 0 50 HDAA COc1cccc(CN2C[C@@H](C(=O)N3CCCN(c4ncccn4)CC3)CCC2=O)c1 12297584 LARKDMSHXRDDHX-IBGZPJMESA-N 423.517 1.963 0 50 HDAA COc1ccc(/C=C(/NC(=O)c2ccc(Br)o2)C(=O)NCCO)cc1 13562047 ISHGECLLIVUGPN-JLHYYAGUSA-N 409.236 1.930 0 50 HDAA COCCn1cnnc1[C@@H](C)NC(=O)CCc1nc(-c2ccccc2OC)no1 55225769 NSDBOHAXTBMYTK-CYBMUJFWSA-N 400.439 1.793 0 50 HDAA COC(=O)c1cn(-c2ccc3c(c2)nc(CN2CCCC2)n3C)cc2c(=O)[nH]nc1-2 253412373 QUGQCAIXQOTOKW-UHFFFAOYSA-N 406.446 1.935 0 50 HDAA COc1ccc(CC2=NO[C@H](C(=O)N3CCC(C(=O)N4CCOCC4)CC3)C2)cc1 299784154 WLNVWZOVSWCZGW-FQEVSTJZSA-N 415.490 1.480 0 50 HDAA CCCCN1CCn2nc(CNS(=O)(=O)c3cccc4nn(C)nc34)cc2C1 426552153 YHXHOBLQVHLSCT-UHFFFAOYSA-N 403.512 1.259 0 50 HDAA O=C(NCc1nc2ccc(F)cc2[nH]1)c1ccc(OCC(=O)N2CCOCC2)cc1 670472603 MFMSDYDOGRPJGN-UHFFFAOYSA-N 412.421 1.870 0 50 HDAA CNC(=O)c1ccc(S(=O)(=O)NCC2(c3ccccc3)CCN(C)CC2)cc1 1506415419 BOTLASOPGSCOCS-UHFFFAOYSA-N 401.532 1.988 0 50 HDAA COc1c[nH]c(C(=O)N[C@H]2CCC[C@@H](CNC(=O)c3oc(C)nc3C)C2)cc1=O 1857674041 YNTOHQLTJWITFA-KGLIPLIRSA-N 402.451 1.707 0 50 HDAA CN(C)C[C@@H]1OCCN(C(=O)c2cc(N3CCOCC3)no2)[C@H]1c1ccccc1 1857693428 WNBJRLKMNZGOTR-ICSRJNTNSA-N 400.479 1.655 0 50 HDAA Cc1nc2nnnn2c(C)c1CCC(=O)NS(=O)(=O)[C@H](c1ccccc1)C(C)C 1875254994 SLUUNPPBIGUQKB-SFHVURJKSA-N 416.507 1.912 0 50 HDAA COC(=O)C1=C(C)Nc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1cccc(Br)c1 951744 KYNNINFIHHJFQP-CYBMUJFWSA-N 420.263 1.851 0 50 HDAA COc1cc(OC)nc(NC(=O)NS(=O)(=O)Nc2ccccc2C(=O)C2CC2)n1 2511777 OFSLKOLYLQSJPB-UHFFFAOYSA-N 421.435 1.565 0 50 HDAA in-vitro O=C(Cn1nnnc1CN1CCCCCC1)N[C@@H]1CCCN(Cc2ccccc2)C1 12710170 MQWCXZXZLFBHLS-HXUWFJFHSA-N 411.554 1.830 0 50 HDAA COc1ccc(C(=O)O[C@H](C(=O)O)[C@@H](OC(=O)c2ccc(OC)cc2)C(=O)O)cc1 21991938 KWWCVCFQHGKOMI-IYBDPMFKSA-N 418.354 1.624 0 50 HDAA COCCN1CCN(Cc2ccc(OC)c(OC[C@@H](O)CN(C)C(C)C)c2)CC1 22918949 GFHZCPGSLPKKEN-FQEVSTJZSA-N 409.571 1.539 0 50 HDAA Cc1ccccc1NC(=O)CC(=O)N1CCCN(CCCN2CCOCC2)CC1 55326448 SOINRGHVKVSCLD-UHFFFAOYSA-N 402.539 1.580 0 50 HDAA Cc1cc(N(CC(=O)NC2CCN(C)CC2)S(C)(=O)=O)ccc1Br 67604711 OJTDOMOCCINFOG-UHFFFAOYSA-N 418.357 1.734 0 50 HDAA CCn1cnnc1CN(C)C(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(Cc4cccc(C)c4)C(=O)[C@H]13)O2 77375327 BNIXTYQVFBNZCG-USKVXJDGSA-N 421.501 1.547 0 50 HDAA CCc1nc(-c2c3n(c(=O)n(CC(=O)Nc4ccccc4F)c2=O)CCCC3)no1 169763845 YWDWEYLFXUECRT-UHFFFAOYSA-N 413.409 1.737 0 50 HDAA CN(C)C(=O)CN1[C@H]2CC[C@H]1CC(NC(=O)CN1CCC(C(F)(F)F)CC1)C2 253419452 SHLDAAMHLRYWKV-HOTGVXAUSA-N 404.477 1.461 0 50 HDAA Cc1cn2nnc(C(=O)N3CCC(C(=O)NCc4ccc(F)cc4)CC3)c2c(O)n1 263617119 MDIDDVXVKGJXLW-UHFFFAOYSA-N 412.425 1.446 0 50 HDAA C[C@@H](NC(=O)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1)c1ncnn1C 473921984 IWFUYWWPKHGTEY-CYBMUJFWSA-N 410.475 1.121 0 50 HDAA Cc1ncc(CO)c(CN2CCC(CNC(=O)CN3CCCC[C@H]3C)CC2)c1O 828832760 IAZVSVZGHBLSML-MRXNPFEDSA-N 404.555 1.791 0 50 HDAA COC(=O)[C@H]1C[C@H]2CN(C(=O)c3ccc4ncnn4c3)CC(=O)N2[C@H]1c1ccccc1 1857725326 QGCUUALBWTVKGU-ZWOKBUDYSA-N 419.441 1.317 0 50 HDAA O=C1NCCN(C(=O)[C@@H]2C[C@H]2C(=O)N2CCNC(=O)c3ccccc32)c2ccccc21 2325748492 GVKGNOWWNDLAHQ-IAGOWNOFSA-N 418.453 1.176 0 50 HDAA NC(=O)C1CCN(C(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)CC1 784198 WILGYRJEHZKNLL-UHFFFAOYSA-N 401.488 1.606 0 50 HDAA CCOC(=O)[C@@H]1CS[C@@H](CC(=O)Nc2ccc(Br)cc2)C(=O)N1 9303599 WOUHOLQDEWGYFE-RYUDHWBXSA-N 401.282 1.941 0 50 HDAA COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NCc2cccc(F)c2)cc1OC 11661888 UTUVOJCIHJHTLX-GOSISDBHSA-N 415.465 1.850 0 50 HDAA COCCN(CC1CCN(Cc2ccccc2F)CC1)C(=O)CCn1cnnn1 11953426 FHOREHHPURURRK-UHFFFAOYSA-N 404.490 1.590 0 50 HDAA O=C1NCCN(Cc2ccccc2)[C@H]1CC(=O)N1CCC(Oc2cccnc2)CC1 12318990 CUZMTGBKQBQVJA-NRFANRHFSA-N 408.502 1.842 0 50 HDAA O=C(NCc1nnc2n1CCN(Cc1cccc(OCCO)c1)CC2)c1ccccn1 14977415 KTFUDXSCDQJYCD-UHFFFAOYSA-N 422.489 1.033 0 50 HDAA CCn1ncc(CN2CCN(C(=O)Cn3cc(Br)c(C)n3)CC2)c1C 20028510 MRWSMZRETKLWNQ-UHFFFAOYSA-N 409.332 1.823 0 50 HDAA Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC(O)C2)cc1 38428027 SCXJSBCHAPZLKP-UHFFFAOYSA-N 424.544 1.360 0 50 HDAA CN(Cc1ccccn1)C(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(c4ccc(CCO)cc4)C(=O)[C@@H]13)O2 77406955 LRZFSNQLEDXJKH-JCUDRXCFSA-N 419.481 1.561 0 50 HDAA CCS(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)NC[C@H]1Cc2ccccc2O1 117660801 AXVXFEIZXQPWRU-MOPGFXCFSA-N 400.500 1.883 0 50 HDAA CCS(=O)(=O)Nc1ccc(S(=O)(=O)Nc2cccc(C(=O)O)c2)c(OC)c1 170591073 LOPSEZHRYVTVFL-UHFFFAOYSA-N 414.461 1.956 0 50 HDAA O=C(CC[C@H]1N=C(O)N(c2ccccc2)C1=O)NCCn1c(CO)nc2ccccc21 252479327 BDBVCKPKRJMDCE-QGZVFWFLSA-N 421.457 1.754 0 50 HDAA CN(C[C@@H]1CCCN2CCCC[C@H]12)C(=O)C[C@H]1NC(=O)N(Cc2ccco2)C1=O 409413872 FUCAKXSWTSBMKR-CGTJXYLNSA-N 402.495 1.813 0 50 HDAA CC(C)Cc1noc([C@H]2CCCN(C(=O)CN3CCN(c4ncccn4)CC3)C2)n1 952991287 NCAJKZUTJJHHGF-KRWDZBQOSA-N 413.526 1.586 0 50 HDAA Cc1nccc(-c2nccn2C[C@H]2CN(CC3CCN(CC4CC4)CC3)C(=O)CO2)n1 1857741498 VTECRKYCIJVPJI-FQEVSTJZSA-N 424.549 1.998 0 50 HDAA Cn1c(=O)[nH]c(=O)c2c1nc(N1CCCCCC1)n2C[C@@H](O)COc1ccccc1 625904 HBPRUXIBKWXSSG-OAHLLOKOSA-N 413.478 1.244 0 50 HDAA O=C1C[C@H](c2ccc(S(=O)(=O)N3CCO[C@@H](COc4ccccc4)C3)cc2)CN1 13858034 BMIOAFSJAAKSSD-PKOBYXMFSA-N 416.499 1.759 0 50 HDAA CSc1ncc(CN2CC[C@@H](N3CCN(c4ccccn4)CC3)[C@H](O)C2)cn1 15071726 ANOYTMOCOXZVEY-QZTJIDSGSA-N 400.552 1.351 0 50 HDAA COc1ccc(CCN2C[C@H](C(=O)N(C)CCN3CCOCC3)CCC2=O)cc1 20453860 DTTIVLHKSGKSRG-LJQANCHMSA-N 403.523 1.267 0 50 HDAA COC(=O)CN(C)C(=O)C1CCN(C2CCN(Cc3cccc(C)n3)CC2)CC1 55270291 KYFYKGYGMADERR-UHFFFAOYSA-N 402.539 1.698 0 50 HDAA COc1ccc(OC)c(CNC(=O)[C@@H]2C[C@@H](NC(=O)c3cccc(F)c3)CN2)c1 67851366 RCAQWOPYQDVGFE-AEFFLSMTSA-N 401.438 1.620 0 50 HDAA O=C([C@@H]1[C@@H]2C=C[C@@]3(CN(Cc4cccnc4)C(=O)[C@H]13)O2)N1CC(Oc2ccccc2)C1 77485424 UPUWHCJZIYVYAU-XARGGIHNSA-N 417.465 1.653 0 50 HDAA CN1CCC(N(C)C[C@@H](NC(=O)N[C@H]2CCS(=O)(=O)C2)c2ccccc2)CC1 241897323 TXRNBNBHXZNNLE-PKOBYXMFSA-N 408.568 1.240 0 50 HDAA COc1ccc(CN2C(=O)[C@@H](CCC(=O)NCC3CCOCC3)N=C2O)cc1OC 253535870 PTNSWONUITZOHD-MRXNPFEDSA-N 419.478 1.652 0 50 HDAA COc1ccccc1N1CCN(C(=O)C[C@@H]2NC(=O)N(Cc3ccco3)C2=O)CC1 263587136 CQMPQVRUWDGRFO-INIZCTEOSA-N 412.446 1.448 0 50 HDAA CN1CCN(S(=O)(=O)c2ccc(NCc3ccc4nc(O)[nH]c4c3)nc2)CC1 1320319231 BCAIGMQOFLZDSS-UHFFFAOYSA-N 402.480 1.212 0 50 HDAA O=C1Cn2cnc3c2[C@H](c2cccc(c2)OCCCN1)N(C(=O)c1cccnc1)CC3 1775983641 PXIYQPYRKSYKAA-NRFANRHFSA-N 417.469 1.965 0 50 HDAA Cc1cc(=O)c(O)c(C2(CC(=O)NCC(=O)Nc3ccccn3)CCSCC2)o1 1776111189 FLQMXPGAFKAFOA-UHFFFAOYSA-N 417.487 1.959 0 50 HDAA O=C(c1cnccn1)N1CCC(N2C[C@@H](COc3ccc(F)cc3)OCC2=O)CC1 1857672842 IJZVVPDLBVCIQD-SFHVURJKSA-N 414.437 1.527 0 50 HDAA NC(=O)CN1CCC2(CCc3c(N4CC[C@H](O)C4)nc(-c4ccccc4)nc32)CC1 1857695054 RSBUZDSHSFQMNI-KRWDZBQOSA-N 407.518 1.480 0 50 HDAA CN1C(=O)CCO[C@H]2CN(S(=O)(=O)c3ccc4c5c(cccc35)C(=O)N4)C[C@@H]21 1857707825 LHHOCYFWBGDKAM-GJZGRUSLSA-N 401.444 1.026 0 50 HDAA CS(=O)(=O)NC[C@H]1CCCCN1C(=O)NCCc1ccc(C(F)(F)F)cn1 1875252294 RYCASENTEYTREV-CQSZACIVSA-N 408.446 1.756 0 50 HDAA O=C(NC[C@H]1CCCCN1)c1sccc1S(=O)(=O)N1CCc2ccncc2C1 1875305456 RNFFIHSAEUCMDY-MRXNPFEDSA-N 420.560 1.762 0 50 HDAA Cc1ccccc1[C@@H]1[C@@H](C(=O)N2CCC(O)(c3cccnc3)CC2)OCC(=O)N1C 1940195857 ROKFDXQHLZKIKE-RTWAWAEBSA-N 409.486 1.799 0 50 HDAA Cc1ccccc1-n1nnnc1[C@H](c1ccccc1)N(C)C(=O)c1nc(=O)n(C)[nH]1 1940195865 SHDOBCHITRKJES-INIZCTEOSA-N 404.434 1.254 0 50 HDAA CN(C)C(=O)c1cc(NC(=O)[C@@H]2C[C@H]2C(=O)Nc2ccnc(C(=O)N(C)C)c2)ccn1 2325733639 OQJTXVPHOVCFLY-HUUCEWRRSA-N 424.461 1.094 0 50 HDAA COc1cc(C(=O)N2CCN(C(=O)[C@@H](C)OC)CC2)n(-c2ncccc2Cl)n1 2325828798 RHQOBNVRWGKORA-GFCCVEGCSA-N 407.858 1.249 0 50 HDAA O=C(NCC1(O)CC(C(=O)O)C1)c1cc2cc(I)ccc2[nH]1 2325863366 GUJVZZPUJXRJSG-UHFFFAOYSA-N 414.199 1.728 0 50 HDAA CC(=O)NCC(=O)N1C[C@@H]2C[C@H](C1)[C@@H]1CCCC(=O)N1[C@H]2Cc1cccc(F)c1 2356161524 YNEIOKJJSACSQJ-UMGGQSCQSA-N 401.482 1.732 0 50 HDAA NS(=O)(=O)c1ccc(CNS(=O)(=O)c2ccc(Br)cc2)cc1 898118 RMRMJWAWNQCIJC-UHFFFAOYSA-N 405.295 1.575 0 50 HDAA CCOC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)OCC)[C@H]1c1ccc(OC)c(OC)c1 4099573 SSFQCYJOBBZRIP-OOSNJVJTSA-N 408.447 1.870 0 50 HDAA Cc1nnsc1C(=O)N1CC(=O)N(Cc2cccnc2)C[C@@H](OCC2CC2)C1 14532988 AXDLHAYIDXCWGD-MRXNPFEDSA-N 401.492 1.521 0 50 HDAA Cc1ccccc1C[C@@]1(C2CCN(Cc3cn[nH]c3C(=O)O)CC2)NC(=O)NC1=O 67673589 WSOJHDZLAPXYLK-NRFANRHFSA-N 411.462 1.449 0 50 HDAA COc1cccc(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N(C)Cc3ccon3)[C@H]4C2=O)c1 77343205 QEOONVOPQFNLRY-WEMPKCCASA-N 409.442 1.624 0 50 HDAA CCCCN1CCN([C@H](C(=O)N(C)C2CCOCC2)c2ccccc2)C(=O)C1=O 77358579 JTIMPVUBKGVFNT-IBGZPJMESA-N 401.507 1.836 0 50 HDAA Cc1ccc(C)c(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N3CCc5n[nH]cc5C3)[C@@H]4C2=O)c1 77440059 UYEJSHGRRDBSAQ-JCUDRXCFSA-N 418.497 1.893 0 50 HDAA CCCc1c(NC(=O)C(=O)N2CCC[C@H]2C(=O)NC)cnn1-c1cccc(F)c1 225468147 JXANLCDTZIXJOZ-KRWDZBQOSA-N 401.442 1.639 0 50 HDAA C[C@]12CC[C@@H]3[C@H](CC[C@@]4(O)C[C@H](O)CC[C@]34CO)[C@@]1(O)CC[C@H]2C1=CC(=O)OC1 253498029 ZNDMLUUNNNHNKC-ZOIYQOIBSA-N 406.519 1.692 0 50 HDAA biogenic CNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)C[C@H]1NC(=O)N(c2ccccc2)C1=O 409413381 AGNWXZLZMPQYKE-MSOLQXFVSA-N 406.442 1.201 0 50 HDAA C[C@]12CC[C@@H]3[C@H](CC[C@]4(O)C[C@H](O)CC[C@]34C(=O)O)[C@]1(O)CC[C@@H]2C1=CC(=O)OC1 1848443743 XJIILRFVONGQOG-UYMVHDKUSA-N 420.502 1.784 0 50 HDAA COc1ccnc(N2CCC(N3C[C@H](COc4ccc(F)cc4)OCC3=O)CC2)n1 1857690519 LTAPCQNJYCZSAE-GOSISDBHSA-N 416.453 1.900 0 50 HDAA CCOc1cc(C)c(Cl)cc1S(=O)(=O)N1C[C@H]2COC[C@@H](C1)C(=O)N2C 1875248025 UYZURHAFDBJDIY-OLZOCXBDSA-N 402.900 1.525 0 50 HDAA O=C1CC[C@H](N2Cc3c(cccc3-n3cc(C[C@H]4CCCCO4)nn3)C2=O)C(=O)N1 1875355942 HLESNTCHRGCYHW-KDOFPFPSSA-N 409.446 1.140 0 50 HDAA Cc1ccn(CC(=O)N2CC[C@]3(C2)C(=O)N(Cc2nc(C)no2)c2ccccc23)n1 2100556766 ROWZEAKEWQULKQ-OAQYLSRUSA-N 406.446 1.600 0 50 HDAA Nc1cc(NC(=O)NC2CC2)ccc1C(=O)N[C@@H]1c2cccc(O)c2C[C@@H]1C(=O)O 2325898432 CCYMLLLLZCFHPI-MAUKXSAKSA-N 410.430 1.986 0 50 HDAA COc1ccc(N(CC(=O)N2CCN(c3ccccc3)CC2)S(C)(=O)=O)cc1 882438 IFQRJNASKJEQGK-UHFFFAOYSA-N 403.504 1.810 0 50 HDAA COC(=O)c1cccc(NC(=O)CN(c2ccc3c(c2)OCO3)S(C)(=O)=O)c1C 1078597 UUOOHLNWZXCKLT-UHFFFAOYSA-N 420.443 1.915 0 50 HDAA CCN(CC)CCN1C(=O)[C@]2(SC(NC(C)=O)=NN2C(C)=O)c2ccccc21 4721744 UIFCWBVUFXVVAH-LJQANCHMSA-N 403.508 1.530 0 50 HDAA Cc1ncc2c(c1CNS(=O)(=O)N(C)C)CCN(C(=O)c1cc(F)cc(F)c1)C2 11995373 JBZCBAVZRXTYJX-UHFFFAOYSA-N 424.473 1.763 0 50 HDAA Cc1ccc(CN2CCN(C(=O)C[C@H]3C(=O)NCCN3CC(C)C)CC2=O)cc1 12387184 AZAAJXYJOGPWFO-IBGZPJMESA-N 400.523 1.012 0 50 HDAA O=C1C[C@H](N2CCN(Cc3ccc4c(c3)OCO4)CC2)C(=O)N1CCc1ccccc1 23358715 KDEIYMARGMHAAI-FQEVSTJZSA-N 421.497 1.903 0 50 HDAA C[C@@H](C(N)=O)N(C)C(=O)c1coc(CN2CCN(C/C=C/c3ccccc3)CC2)n1 67785035 ZPLHMTVKLOOPEF-NADMHLTPSA-N 411.506 1.451 0 50 HDAA Cc1cccc(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N(C)Cc3nccn3C)[C@H]4C2=O)c1 77436843 BWOQXIQUBPDFET-UDSSINMLSA-N 406.486 1.669 0 50 HDAA CNC(=O)c1ccc(CN2CCN(C)[C@@]3(CCC(=O)N(CCOC)CC3)C2)cc1 107402742 QKAQXGZYNFVMDC-JOCHJYFZSA-N 402.539 1.191 0 50 HDAA COc1ccc(C(=O)NC[C@H]2CN(CC3CCN(CC4CC4)CC3)C(=O)CO2)cn1 299771640 RSAXEDZOGVXQJC-IBGZPJMESA-N 416.522 1.169 0 50 HDAA Cc1nnc(CN2CCC(N3C[C@@H](COc4ccc(F)cc4)OCC3=O)CC2)o1 299774239 FHLVTLHOQCVZPE-SFHVURJKSA-N 404.442 1.788 0 50 HDAA Cc1nc(CC(=O)N2CC[C@](c3nc(-c4ccncc4)no3)(C(F)(F)F)C2)n[nH]1 952892904 JOXJHCVZLLANSR-INIZCTEOSA-N 407.356 1.833 0 50 HDAA CCc1cc(CN2CCC3(CC2)CN(C(=O)c2ccc(=O)n(C)c2)CCO3)on1 952973195 GDZDZQPRMZEUBJ-UHFFFAOYSA-N 400.479 1.443 0 50 HDAA CCN1CCC(N(CCc2ccccn2)C(=O)c2ccc(S(N)(=O)=O)cc2)CC1 1506400075 SZFXPMGKYKEJPO-UHFFFAOYSA-N 416.547 1.898 0 50 HDAA O=C(CCc1nc2ccccc2s1)N1C[C@H]2CN(Cc3cnc[nH]3)C[C@]2(CO)C1 1772810600 NFYJJKSXWSYHBO-QVKFZJNVSA-N 411.531 1.905 0 50 HDAA CC(=O)N[C@H](Cc1c[nH]c2cc(F)ccc12)C(=O)NC[C@H]1[C@H](C)N(C)CCN1C 1875258985 FKMHGIVQAHQPOL-SVIJTADQSA-N 403.502 1.105 0 50 HDAA Cc1cn(C)nc1C(=O)N1CC[C@@]2(CCN(C(=O)c3ccc(O)nc3Cl)C2)C1 1875362190 UYFBJMFLTLLVOF-LJQANCHMSA-N 403.870 1.861 0 50 HDAA Cn1cnc(C(=O)N2CCC([S@](C)(=O)=NC(=O)C[C@@H]3CC[C@H](C4CC4)O3)CC2)c1 2332238913 PITGEPITVDVVHE-UZXAJXEFSA-N 422.551 1.997 0 50 HDAA COc1cc(CNC(=O)c2nc(CS(=O)(=O)c3ccccc3)no2)cc(OC)c1 4776789 REORNFXQFGOEPO-UHFFFAOYSA-N 417.443 1.991 0 50 HDAA COCCNC(=O)c1cn([C@@H]2CCCN(C(=O)/C=C/c3ccc(OC)cc3)C2)nn1 12051417 RLSITERLYRRLAW-PYUISTEWSA-N 413.478 1.540 0 50 HDAA COC(=O)CCN1C[C@@H](OCc2ccncc2)CN(C(=O)[C@@H]2CC=CCC2)CC1=O 14542850 JCKSGZRGUJHMBY-RTBURBONSA-N 415.490 1.557 0 50 HDAA Cc1nc(CN(C)C(=O)[C@H]2[C@@H]3C=C[C@@]4(CN(Cc5ccc(C)c(C)c5)C(=O)[C@@H]24)O3)no1 77394176 YWEURZOQULYHQE-YPIYEQTHSA-N 422.485 1.935 0 50 HDAA Cn1ccnc1CN(C(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(Cc4cccnc4)C(=O)[C@@H]13)O2)C1CC1 77517102 CGPAZGQKWGFPHX-CLWLKPMESA-N 419.485 1.288 0 50 HDAA COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)C[C@@H]1CCCCN1C)CC2 95512547 MRKUPQZYVZDUFN-INIZCTEOSA-N 403.527 1.133 0 50 HDAA COc1cc(/C=C/c2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2)cc(OC)c1 139339749 IGTFTNWJAADJKD-QCJVRXEMSA-N 418.442 1.053 0 50 HDAA O=C(O)[C@H]1[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)[C@H]2C=C[C@H]1C2 222430100 YKQCFOGWAIAVLT-MGBSGCIJSA-N 408.451 1.182 0 50 HDAA O=C1[C@@H]2CCCC[C@H]2C(=O)N1CCC(=O)N(Cc1ccco1)[C@@H]1CCS(=O)(=O)C1 229428663 ZPBHTYSWVIOPDS-DJIMGWMZSA-N 422.503 1.361 0 50 HDAA CCOC(=O)[C@H]1CCCN(S(=O)(=O)NC[C@H](c2cccs2)N2CCCC2)C1 230160535 OZLROGAXDOFAQS-JKSUJKDBSA-N 415.581 1.995 0 50 HDAA NC(=O)CC[C@@H](NC(=O)CCC1CCCC1)C(=O)NCc1cccc2c1OCCO2 1472274470 HVLRWFURGWKLPR-QGZVFWFLSA-N 417.506 1.795 0 50 HDAA CC(=O)Nc1cccc(C(=O)N2CCCN(C(=O)CN3CCCCC3=O)CC2)c1 1704300406 UWOMYAWOTZJMKD-UHFFFAOYSA-N 400.479 1.332 0 50 HDAA O=C(NCc1nc(-c2ccccc2)n[nH]1)[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CCNC2 1857699041 FUWDOBLMUJFLPL-DNVFCKCGSA-N 424.549 1.569 0 50 HDAA O=C(N[C@@H]1CN2CCCC[C@@]2(C(=O)N2C[C@H]3CC=CC[C@H]3C2)C1)C1CCOCC1 1857704234 JPSNSADVUOQWJT-SRYPRDQNSA-N 401.551 1.951 0 50 HDAA Cc1ccc2cc1OCCNC(=O)C[C@@H]1CC[C@H](CNC2=O)N1C(=O)c1ccc[nH]1 1857711584 HYHQSOBWXUEILB-DLBZAZTESA-N 410.474 1.625 0 50 HDAA Cc1cc(S(=O)(=O)N2CCO[C@@H](CN3CCCC3)[C@@H]2c2ccccc2)n(C)n1 1857716013 RYRUVHXKDPPDOI-ICSRJNTNSA-N 404.536 1.955 0 50 HDAA Cn1c(=O)c2c(nc(SC3=NCCS3)n2Cc2ccccc2F)n(C)c1=O 1186465 IVMWAECAWJSETJ-UHFFFAOYSA-N 405.480 1.816 0 50 HDAA CCCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1C[C@@H](O)COc1ccccc1C 5027677 DILLLDUAWTUTTE-OAHLLOKOSA-N 415.494 1.394 0 50 HDAA biogenic CCOC(=O)N1CCN(C(=S)Nc2cc(OC)c(OC)cc2C(=O)OC)CC1 8682804 CWXVFSJUYYLXOK-UHFFFAOYSA-N 411.480 1.961 0 50 HDAA COc1ccc(S(=O)(=O)NC[C@H]2CCCN(C(=O)Cc3ccccn3)C2)cc1 12198590 FYFZIRDSMPUTPC-MRXNPFEDSA-N 403.504 1.850 0 50 HDAA O=C1NCCN(Cc2ccccc2F)[C@@H]1CC(=O)N1CCN(C2CCCC2)CC1 15075735 GWTGJKRHQYNKPM-HXUWFJFHSA-N 402.514 1.603 0 50 HDAA CC(=O)N1CCN(C(=O)c2ccc3c(c2)C(=O)N(Cc2ccc(F)cc2)C3=O)CC1 32100229 BJNNAFZMWMONKN-UHFFFAOYSA-N 409.417 1.926 0 50 HDAA COc1ccc(S(=O)(=O)NC[C@H]2CC[C@H](C(=O)N3CCC[C@H]3CO)CC2)cc1 245257191 WSOIQEYRILTANG-ULQDDVLXSA-N 410.536 1.763 0 50 HDAA CN1CCC2(CCN(C(=O)c3ccccc3S(=O)(=O)N3CCCCC3)CC2)C1=O 446517136 DBRNOIPEFNUJLA-UHFFFAOYSA-N 419.547 1.946 0 50 HDAA COc1cc2c(cc1OC)[C@H](NC(=O)C[C@H]1NC(=O)c3ccccc3NC1=O)CC2 886025380 KRFFEVDNVOHZLV-IAGOWNOFSA-N 409.442 1.948 0 50 HDAA CNC(=O)CN1C[C@@H]2CN(C(=O)c3nsnc3C)C[C@@]2(CCc2ccccc2)C1 1772707334 YGVZNSPIQKABMD-DYESRHJHSA-N 413.547 1.599 0 50 HDAA Cc1ccc(CN2CC3(CCN(C(=O)[C@@H]4COC(=O)N4)CC3)OCCC2=O)cc1 1857719412 MJJZLMSPSRPMEB-KRWDZBQOSA-N 401.463 1.214 0 50 HDAA CCOc1ccc2nc(N3C[C@@H](C(=O)N4C[C@@H]5CNC[C@@H]5C4)CC3=O)sc2c1 1857735681 GOJYEIMIARNTBY-MELADBBJSA-N 400.504 1.726 0 50 HDAA O=C1CC[C@@H](c2ccccc2)CCNC(=O)CN(CC2COCCOC2)CCCN1 1875241237 RESSLMBSOTWAMX-OAQYLSRUSA-N 417.550 1.542 0 50 HDAA O=C(Nc1ccc(CN2CCN(C3CC3)CC2)cn1)c1cn(C2CCOCC2)nn1 1875260276 JOPAGGVAGKTRCJ-UHFFFAOYSA-N 411.510 1.557 0 50 HDAA C=CC(=O)NC[C@@H](NC(=O)[C@H]1CCc2nnnn2CC1)c1ccc2ccccc2c1 1875386598 UYIYGFQUVICMMC-QFBILLFUSA-N 404.474 1.939 0 50 HDAA C=CC(=O)N1CCC[C@@H](C(=O)N2CCCN(S(=O)(=O)c3ccccc3)CC2)C1 2325889433 QFSJISCDMPIABN-QGZVFWFLSA-N 405.520 1.334 0 50 HDAA COc1cccc(C[C@H]2[C@H]3C[C@H](CN(C(=O)CNC(N)=O)C3)[C@@H]3CCCC(=O)N23)c1 2356157053 CEKCRONLWMJDMQ-NEPXVJNWSA-N 414.506 1.134 0 50 HDAA CCOC(=O)CCCn1c(-c2ccccc2)cn2c3c(=O)n(C)c(=O)n(C)c3nc12 1430535 XHDZAEWWFIKUEC-UHFFFAOYSA-N 409.446 1.697 0 50 HDAA Cc1n[nH]c(SCCNC(=O)C[C@@H]2C(=O)NCCN2CCCc2ccccc2)n1 11997024 YEYPUTJHAMPJMH-QGZVFWFLSA-N 416.551 1.145 0 50 HDAA COCC(=O)N[C@H](c1nnc2n1CCN(Cc1ccc(OC)cc1)CC2)C(C)C 12202849 QHNKNJWJZDJVHW-FQEVSTJZSA-N 401.511 1.805 0 50 HDAA COC(=O)C1=C(C(=O)OC)C(C(=O)OC)=C(O)c2cc(OC)c(OC)cc2CC1 18255890 RINOJYJGWQESAW-UHFFFAOYSA-N 406.387 1.735 0 50 HDAA CCN(Cc1cnn(C)c1)Cc1cccc(OC)c1OC[C@@H](O)CN1CCOCC1 20451345 UQNJUOUTQYWCBF-FQEVSTJZSA-N 418.538 1.523 0 50 HDAA O=C1CC[C@H](C(=O)NCc2nnc3n2CCN(Cc2c(F)cccc2Cl)CC3)N1 20599861 YLQHKBBSFOPSNK-OAHLLOKOSA-N 420.876 1.024 0 50 HDAA O=C(C[C@@H]1C(=O)NCCN1Cc1ccc(F)cc1Cl)NCCc1cccnc1 55242574 PABOCULAUZSBQR-GOSISDBHSA-N 404.873 1.924 0 50 HDAA COc1ccc(OC)c(CNC(=O)C[C@@H]2C(=O)NCCN2Cc2cccs2)c1 55360060 DHAXGKJLAOAMDH-QGZVFWFLSA-N 403.504 1.772 0 50 HDAA Cc1nc(NCCNS(=O)(=O)c2cccc(Cl)c2)cc(N2CCOCC2)n1 65363798 LDSCURIGTHRVIR-UHFFFAOYSA-N 411.915 1.665 0 50 HDAA CCc1ccc([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1Cc1ccc2c(c1)OCCO2 68267876 XFJAMQQAAMJFGB-ZQGJOIPISA-N 416.470 1.126 0 50 HDAA Cc1noc(CN(C)C(=O)[C@@H]2[C@@H]3C=C[C@@]4(CN(Cc5ccc(C)c(C)c5)C(=O)[C@@H]24)O3)n1 77300702 RKVSEYZEIZTMAH-CLWLKPMESA-N 422.485 1.935 0 50 HDAA Cc1c(CN2CCC3(CC2)CCN(C(=O)Cc2c[nH]cn2)C[C@@H]3CO)cnn1C 97495073 FHYHITNZOHQTQC-GOSISDBHSA-N 400.527 1.117 0 50 HDAA COc1cc(/C=C/C(=O)N2CCC=CC2=O)cc(OC)c1OCCN1CCOCC1 113251187 IQKMSBVFPMEYGK-VOTSOKGWSA-N 416.474 1.743 0 50 HDAA CC(=O)NCc1ccc(S(=O)(=O)N2CCCC[C@@H]2[C@@H](O)C(F)(F)F)s1 221987273 YJKPCDOBCUJJET-DGCLKSJQSA-N 400.444 1.851 0 50 HDAA CC(C)CC(=O)N[C@@H](CC(N)=O)C(=O)NCc1ccc(OCC(F)(F)F)cc1 253417834 OFIIYIFALJGNDD-AWEZNQCLSA-N 403.401 1.650 0 50 HDAA CCCC(=O)N1CCc2c(C(=O)OC)c(OCC[C@@H]3CCCN3C)cc(=O)n2CC1 299789127 XDZPNQKSBAYLLV-INIZCTEOSA-N 419.522 1.683 0 50 HDAA Cn1c(=O)n(C)c2cc(S(=O)(=O)N3CCC[C@H](OCc4ccccn4)C3)ccc21 952981982 ONQZDQLXLXYPSP-INIZCTEOSA-N 416.503 1.642 0 50 HDAA O=C(Nc1ccc(C(=O)N2CCOCC2)cc1)Nc1cccc(Cc2nn[nH]n2)c1 1310132391 IQWUTAPVXSPVQF-UHFFFAOYSA-N 407.434 1.907 0 50 HDAA OC[C@@]12CN(Cc3cnc(N4CCCCC4)nc3)C[C@H]1CN(Cc1ccns1)C2 1772701061 HDFABYDJJBMORF-RXVVDRJESA-N 414.579 1.850 0 50 HDAA Cc1nn(C)c(C)c1CN1C[C@@H]2CN(C(=O)c3cnc(O)c(Cl)c3)C[C@@]2(CO)C1 1772809814 GAOSJXZXXHSYDF-FOIQADDNSA-N 419.913 1.357 0 50 HDAA COCc1ccoc1C(=O)NCC1(OC)CN(C(=O)C[C@H]2CSCCS2)C1 1875345653 FDLOBKVQXANSLA-AWEZNQCLSA-N 414.549 1.622 0 50 HDAA CCN1C[C@H](C(=O)N2CCCC[C@@H](NC(=O)c3cccc(C(N)=O)c3)C2)CCC1=O 1875359665 MFJSSELTMRWHKF-QZTJIDSGSA-N 414.506 1.155 0 50 HDAA Cc1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1S(=O)(=O)N1CCOCC1 1061886 USUCOOMWOXHNNF-UHFFFAOYSA-N 404.444 1.997 0 50 HDAA COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccccc3C(N)=O)C2)cc1 6646675 WWBVXWRPGZGDQB-CQSZACIVSA-N 417.487 1.834 0 50 HDAA O=C(c1cc[n+]([O-])cc1)N1CCC[C@@H](N2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 20363690 DRDUCRNYONGJLN-HXUWFJFHSA-N 424.501 1.471 0 50 HDAA O=S1(=O)CC[C@H](N2CCN(Cc3c[nH]nc3-c3ccc4c(c3)OCO4)CC2)C1 20907861 POEQTRQNHRQTLQ-INIZCTEOSA-N 404.492 1.110 0 50 HDAA CC(=O)SC[C@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@H](Cc1ccccc1)C(=O)O 109833334 FHHHOYXPRDYHEZ-XKQJLSEDSA-N 406.504 1.705 0 50 HDAA Cc1ccc(CNC(=O)C2CCN(C(=O)c3nnn4cc(C)[nH]c(=O)c34)CC2)cc1 169768917 OXIUJUGPEPYJGW-UHFFFAOYSA-N 408.462 1.203 0 50 HDAA Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)NC/C=C/CNC(=O)OC(C)(C)C 170594509 RBFMQMLTPNYPLW-VOTSOKGWSA-N 418.537 1.758 0 50 HDAA Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)c(Cl)n1 170597252 DMHPABAXYRDZAF-UHFFFAOYSA-N 423.878 1.919 0 50 HDAA COC(=O)[C@H](NCCS(=O)(=O)c1cccc(OC)c1)c1ccc(OC)c(O)c1 170598098 GCBGEZSLKAFAMB-GOSISDBHSA-N 409.460 1.687 0 50 HDAA CCOC(=O)c1c[nH]c(=O)c([C@@H](CC(=O)O)c2cc(OC)c3c(c2)OCCO3)c1O 217787721 NWMOYLGYLSQATK-NSHDSACASA-N 419.386 1.644 0 50 HDAA biogenic O=C(Nc1nccs1)[C@H]1[C@H]2C=C[C@@]3(CN(Cc4ccc5c(c4)OCO5)C(=O)[C@H]13)O2 245239849 FSAQPVVOTUFKIP-XXLXZOJFSA-N 411.439 1.793 0 50 HDAA O=C(c1n[nH]c(=O)c2ccccc12)N1CCc2nn(Cc3cccnc3)c(=O)cc2C1 263619198 XKXVHPTXWSZHCU-UHFFFAOYSA-N 414.425 1.122 0 50 HDAA COc1ccc(N2C(=O)N[C@H](CC(=O)NC[C@H]3CCCN4CCCC[C@H]34)C2=O)cc1 409415076 SPBQKENQJALNBD-ATZDWAIDSA-N 414.506 1.891 0 50 HDAA Cc1ccc(C(=O)N2CCC(C(=O)NCCN3CCC[C@H](C(N)=O)C3)CC2)cc1 827758121 LIFLNQHLPNSURT-IBGZPJMESA-N 400.523 1.161 0 50 HDAA O=C(c1ccccn1)N1CCC(C(=O)N2CCCN(C(=O)c3ccco3)CC2)CC1 1506411654 JCGXTJVRGPUPCZ-UHFFFAOYSA-N 410.474 1.902 0 50 HDAA CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NS(=O)(=O)c1cc2ccccc2s1 1704337144 WPRUKDYFPCLFBB-STQMWFEESA-N 404.535 1.086 0 50 HDAA CNC(=O)c1cc(NC(=O)[C@@H](CCF)NC(=O)OC(C)(C)C)cc(C(=O)NC)c1 2325873046 WVZMPBLGBAXNSU-CQSZACIVSA-N 410.446 1.597 0 50 HDAA CCOC(=O)N1CCN(S(=O)(=O)c2ccc(OCC(=O)OC)c(C)c2)CC1 814005 HZNRCBPVCCFHMA-UHFFFAOYSA-N 400.453 1.010 0 50 HDAA CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)Nc3nc(C)cs3)c2)CC1 12421784 MGTXDYFCTRHGQH-UHFFFAOYSA-N 408.505 1.557 0 50 HDAA CC(=O)NCCC1CCN(C(=O)C[C@H]2C(=O)NCCN2Cc2cccc(F)c2)CC1 12576614 GTKYMLBIZYZXKM-FQEVSTJZSA-N 418.513 1.281 0 50 HDAA O=C1N[C@@H](Cc2ccccc2)C(=O)N2CCN(Cc3cnn(-c4ccccc4)c3)C[C@H]12 14753083 NAMITHOVFGKXEH-FCHUYYIVSA-N 415.497 1.626 0 50 HDAA COc1cc2c(cc1OC)CN([C@H]1CCCN(C(=O)Cc3nonc3C)C1)CC2 14974247 QSIZCNPJTDPCBB-KRWDZBQOSA-N 400.479 1.987 0 50 HDAA COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NCCc2ncccc2C)cc1C 15066255 OVHPESKIIRAOFN-HXUWFJFHSA-N 410.518 1.756 0 50 HDAA CCNC(=O)c1ccc(OC)c(S(=O)(=O)N2CCN(c3ccccc3)CC2)c1 16579162 HNJJLKFDTMMZQF-UHFFFAOYSA-N 403.504 1.956 0 50 HDAA CC(C)N1CCC(NC(=O)c2cn(C)nc2C(=O)NC2CCN(C(C)C)CC2)CC1 20617099 KCOCWFADFKNREJ-UHFFFAOYSA-N 418.586 1.625 0 50 HDAA O=C(NCC(=O)N1CCN(c2ccc(Nc3ccccn3)nn2)CC1)c1ccccc1 72437127 BYVKERYTIMPQDS-UHFFFAOYSA-N 417.473 1.694 0 50 HDAA Cc1cccc(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N(C)Cc3nc(C)c[nH]3)[C@H]4C2=O)c1 77298618 HGHTWODDPMXQEX-USKVXJDGSA-N 406.486 1.967 0 50 HDAA CCOC(=O)Cc1csc(NC(=O)C[C@H]2NC(=O)c3ccccc3NC2=O)n1 169772633 LFBMRGKHQWYDSA-CYBMUJFWSA-N 402.432 1.328 0 50 HDAA O=C(c1csc2nc(-c3ccccc3)cn12)N1CCN[C@@H]2CS(=O)(=O)C[C@@H]21 211280492 JARURCXXBHYGCB-ZBFHGGJFSA-N 402.501 1.274 0 50 HDAA Cc1cc(C)n(CCC(=O)N2C[C@H]3CN(C(=O)c4csc(C)n4)C[C@@]3(CO)C2)n1 1772811962 CNYNDWBHNYMNKD-OXJNMPFZSA-N 417.535 1.248 0 50 HDAA CCc1cc(C(=O)NC[C@H]2CN(CC3CCN(CC4CC4)CC3)C(=O)CO2)on1 1857673790 YIDUODZNRKXOIN-SFHVURJKSA-N 404.511 1.316 0 50 HDAA CCCO[C@H]1C[C@@H](C(=O)N(C)Cc2cc(CC)no2)CC[C@@H]1NS(C)(=O)=O 1857681238 DYZWTHAGGCJUJS-JQFCIGGWSA-N 401.529 1.709 0 50 HDAA Cc1cc(C)nc(-c2cn(-c3ccc4c(c3)CN([C@H]3CCC(=O)NC3=O)C4=O)nn2)n1 1875355209 CXEDJVVOTOBYNO-KRWDZBQOSA-N 417.429 1.102 0 50 HDAA C[C@@]1(n2cc(CNC[C@@H](Cc3cccc(O)c3)C(=O)O)cn2)CCS(=O)(=O)C1 2325851670 GEUUVDKDZMXIDR-VQIMIIECSA-N 407.492 1.156 0 50 HDAA CCn1ncc(Br)c1C(=O)N[C@H]1C(=O)N2C(C(=O)O)=C(C)CS[C@@H]12 2747684 QHYWBFAZHAEHPX-SDBXPKJASA-N 415.269 1.038 0 50 HDAA Cc1nnc(SCCNC(=O)CCCn2nnnc2CN2CCC(C)CC2)s1 15072038 DAMILGRULATRIK-UHFFFAOYSA-N 424.600 1.754 0 50 HDAA COCCS(=O)(=O)c1ncc(CN(C)Cc2ccon2)n1Cc1ccccc1 23338404 KJLBSCLZWZUQFM-UHFFFAOYSA-N 404.492 1.972 0 50 HDAA COc1ccccc1CCN1CCC(CN(C)C(=O)c2c[nH]c(=O)[nH]c2=O)CC1 95503392 KRXVPVIIQUBMLZ-UHFFFAOYSA-N 400.479 1.099 0 50 HDAA O=C(CCNC(=O)[C@@H]1C[C@@H]1c1c(F)cccc1Cl)N[C@H]1CCS(=O)(=O)C1 225383180 AIMGSFPXRFGGOU-SDDRHHMPSA-N 402.875 1.392 0 50 HDAA CN(C)CCn1cnc2cc(NC(=O)C[C@H]3NC(=O)c4ccccc4NC3=O)ccc21 409413697 RSTYGXDUMYJSLV-GOSISDBHSA-N 420.473 1.677 0 50 HDAA Nc1nc(CCCNC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)cs1 827748245 GLECRYWLUXKDAH-OAHLLOKOSA-N 412.512 1.767 0 50 HDAA Cc1noc(C)c1CN1C[C@@H]2CN(S(=O)(=O)c3cccc(F)c3)C[C@@]2(CO)C1 1772813744 RPPQEMLKSRVHQB-DNVCBOLYSA-N 409.483 1.546 0 50 HDAA CN1CC[C@]2(C(=O)NCc3ccon3)CCCN(C(=O)c3cn4ccccc4n3)[C@H]2C1 1775978216 CUTXKPPKCOMVEM-PGRDOPGGSA-N 422.489 1.565 0 50 HDAA C=CC(=O)Nc1ccc(O)c(C(=O)N2CCC[C@H](N3CCCS3(=O)=O)CC2)c1 1875371722 KGWOYEPPBNCNCS-HNNXBMFYSA-N 407.492 1.547 0 50 HDAA Cc1nc(O)ccc1S(=O)(=O)NC(=O)[C@H]1CC(=O)N([C@@H](C)c2ccccc2)C1 2325819798 QEMIOUCPLCLWOQ-ZFWWWQNUSA-N 403.460 1.510 0 50 HDAA C[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)O)c1ccc(I)cc1 2325877774 ZTJOWBHBVLHFBP-ZANVPECISA-N 413.215 1.930 0 50 HDAA COCCn1c(C)cn2c3c(=O)n(Cc4cccc(Cl)c4)c(=O)n(C)c3nc12 4251055 SPCCSAFFDNBJRT-UHFFFAOYSA-N 401.854 1.806 0 50 HDAA CCc1cnc2c(c1SCC(=O)NCc1ccc(F)cc1)c(=O)n(C)c(=O)n2C 4942083 HPGGGEQXIZCNBU-UHFFFAOYSA-N 416.478 1.742 0 50 HDAA CNC(=O)c1cc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)ccc1OC 6715918 KHWBEATVUSGPNO-UHFFFAOYSA-N 407.467 1.705 0 50 HDAA CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)Nc3ccccc3F)c2)CC1 8289039 ASVJKVIMTKWCBB-UHFFFAOYSA-N 405.451 1.931 0 50 HDAA CN(Cc1ccc(F)cc1)c1ccc(OCC(=O)NCCCN2CCOCC2)nn1 14962561 XDZOWPASJFPWHI-UHFFFAOYSA-N 417.485 1.469 0 50 HDAA COCCNC(=O)c1cn(C2CCN(C(=O)[C@@H](C)Oc3ccccc3)CC2)nn1 14999831 MFGXAWOIVVSYOC-OAHLLOKOSA-N 401.467 1.285 0 50 HDAA CCS(=O)(=O)N1CCC(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)CC1 20046459 IZIPTCNTKDXJCT-RMKNXTFCSA-N 405.564 1.906 0 50 HDAA Cc1c[nH]c(CN(C)C(=O)CCCn2nnnc2CN2CCc3ccccc3C2)n1 23251155 SWOZFJQJKOSVPE-UHFFFAOYSA-N 408.510 1.702 0 50 HDAA COc1cccc(CNC(=O)C[C@H]2C(=O)NCCN2Cc2ccc(C)o2)c1OC 39358313 MFYPFHFXNZBTFY-KRWDZBQOSA-N 401.463 1.612 0 50 HDAA CCNc1nc(C)cc(N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)n1 65363446 ZZPQYIHRPDCXCU-UHFFFAOYSA-N 419.507 1.499 0 50 HDAA COc1cc(OC)cc(C(=O)N2CCN(c3ccc(-n4ccc(C)n4)nn3)CC2)c1 72437193 UHCLLYQGWLZCCP-UHFFFAOYSA-N 408.462 1.950 0 50 HDAA CC(C)S(=O)(=O)N1CCc2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2C1 77487047 XPYVVKCRVLEXMZ-MRXNPFEDSA-N 402.538 1.240 0 50 HDAA COc1cccc(CNC(=O)CC[C@H]2CCCN(CC(=O)N3CCOCC3)C2)c1 95523713 LHZISDCVTZIQKT-GOSISDBHSA-N 403.523 1.662 0 50 HDAA COc1ccc(CCN2C(=O)N[C@@H](CCC(=O)N[C@H]3NC(C)=C(C)S3)C2=O)cc1 223238323 NAHPGZYJUQKDEW-QFBILLFUSA-N 418.519 1.926 0 50 HDAA O=C(NC1CC1)c1cn([C@H]2CC[C@@H](NS(=O)(=O)c3ccccc3F)CC2)nn1 247725508 DBXZJDPMRGFSDY-OKILXGFUSA-N 407.471 1.772 0 50 HDAA C=CC(=O)OCCOCCOCCOCCOCCOCCC(=O)OC(C)(C)C 258836905 QGMZFZMGMBAPNA-UHFFFAOYSA-N 420.499 1.530 0 50 HDAA NC(=O)C1CCN(C(=O)c2nnn3cc(-c4ccc(Cl)cc4)nc(O)c23)CC1 263615047 AGWCLQVPOYHXPX-UHFFFAOYSA-N 400.826 1.488 0 50 HDAA CN1Cc2cc(NS(=O)(=O)c3cccc(S(=O)(=O)N(C)C)c3)ccc2NC1=O 479564789 HLHQGZNBSNLFQU-UHFFFAOYSA-N 424.504 1.715 0 50 HDAA Cc1[nH]nc(C(F)(F)F)c1C(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 679418560 VHJXVHFOYZOBMN-LLVKDONJSA-N 410.418 1.004 0 50 HDAA CNC(=O)[C@H]1Cc2ccccc2CN1C(=O)CCn1c(O)nc2ccccc2c1=O 888089508 JIKHAZNPYJTRFB-GOSISDBHSA-N 406.442 1.192 0 50 HDAA COc1ccc2nc(CCN(C)c3cncc(C(=O)N4CCN(C)CC4)n3)[nH]c2c1 1529095690 STUMURHDDVERRR-UHFFFAOYSA-N 409.494 1.428 0 50 HDAA Cc1oc(-c2ccno2)cc1S(=O)(=O)N1C[C@@H]2CN(CC(C)C)C[C@]2(CO)C1 1772813082 VDQNPPKUMBFLTB-HNAYVOBHSA-N 409.508 1.814 0 50 HDAA O=C1CC[C@H](C(=O)N2C[C@@H]3[C@H](C2)[C@@H]2CC[C@H]3N2C(=O)NCc2cccc(F)c2)N1 1857678592 OSHHAPASMAFGPF-ILOCAZANSA-N 400.454 1.235 0 50 HDAA Cc1nonc1C(=O)N1CCC2(CC1)CN(Cc1scnc1C)C(=O)CCO2 1875243684 SNNXSUWAMBFUNK-UHFFFAOYSA-N 405.480 1.567 0 50 HDAA COc1cc(CN2CC[C@@H](NC(=O)N[C@@H]3CCN(C4CC4)C3=O)C2)cc(OC)c1 2325706636 SZYXCDRGXXAZNK-DNVCBOLYSA-N 402.495 1.341 0 50 HDAA Cc1cc(N2CC[C@@H](NC(=O)N(C)[C@@H]3CCN(Cc4ccccc4)C3=O)C2)n(C)n1 2325828956 WSAPLYWVOLTSJQ-RTBURBONSA-N 410.522 1.750 0 50 HDAA Cc1ccccc1OC[C@@H](O)Cn1c(SCC(C)C)nc2c1c(=O)[nH]c(=O)n2C 625913 RZXWAQLDLVCYDJ-AWEZNQCLSA-N 418.519 1.920 0 50 HDAA CCOC(=O)CSc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccc(Cl)cc1 627216 ISUGUAZEVGSMHR-UHFFFAOYSA-N 408.867 1.780 0 50 HDAA Cn1c(=O)c2cc(S(=O)(=O)N3CCC(c4ccccc4)CC3)ccc2n(C)c1=O 1061461 RCAZJFWGDXNGPI-UHFFFAOYSA-N 413.499 1.806 0 50 HDAA Nc1cc(=O)[nH]c(SCC(=O)N2CCN(C34CC5CC(CC(C5)C3)C4)CC2)n1 4625100 KPHSUTXDFDXYDE-UHFFFAOYSA-N 403.552 1.557 0 50 HDAA Cn1nc(C(=O)NCCN2CCOCC2)c2c1CC[C@@H](NCc1ccccc1F)C2 14751561 SOLLFEDBVSAOCI-QGZVFWFLSA-N 415.513 1.268 0 50 HDAA COC(=O)c1ccccc1NC(=O)CN1CCN(Cc2ccc3c(c2)OCO3)CC1 19873736 KXEUVQPFLODBBC-UHFFFAOYSA-N 411.458 1.958 0 50 HDAA O=C(c1cc2ccccc2oc1=O)N1CCN(c2ccnc(N3CCOCC3)n2)CC1 72442052 HZBAPFZEKHUDRT-UHFFFAOYSA-N 421.457 1.382 0 50 HDAA CC1(C)CC(=O)c2cc(C(=O)Nc3cccc([C@]4(C)NC(=O)NC4=O)c3)c(=O)[nH]c2C1 111142209 LPMFUDFOWPFGIF-QFIPXVFZSA-N 422.441 1.837 0 50 HDAA C[C@H](Cn1cncn1)NS(=O)(=O)[C@@H]1CCCN(C(=O)c2cccc(Cl)c2)C1 170593699 BHHCNDWKKPTFCU-CZUORRHYSA-N 411.915 1.544 0 50 HDAA CC(=O)OC(OC(C)=O)[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]12 239165153 NOJVQKNKQVCBJF-QZNHQWIBSA-N 405.790 1.605 0 50 HDAA CCc1ccc(CNC(=O)C2CCN(C(=O)c3nnn4cc(C)nc(O)c34)CC2)cc1 263616074 GVQFPXPADHLEFL-UHFFFAOYSA-N 422.489 1.869 0 50 HDAA CC(C)(C)c1n[nH]cc1CN1CCC[C@H](n2ncc(N3CCOCC3)cc2=O)C1 328607734 WWAJTYOBAGLLEN-KRWDZBQOSA-N 400.527 1.938 0 50 HDAA COc1cc(/C=C/C(=O)O)cc(Br)c1OCC(=O)N1CCOCC1 392153091 LRMNOVXQGDSJDW-NSCUHMNNSA-N 400.225 1.793 0 50 HDAA Cc1cccc(N2CCC(NC(=O)[C@H]3[C@@H]4CC[C@@]5(CN(CCN)C(=O)[C@@H]35)O4)CC2)c1 670457630 SKJAORLDJYYUDQ-GJPOJAMWSA-N 412.534 1.045 0 50 HDAA CCN1CCCC[C@H]1CNS(=O)(=O)c1ccc(NS(=O)(=O)N(C)C)cc1 670469808 LDXFDIVHVNNITO-HNNXBMFYSA-N 404.558 1.058 0 50 HDAA Cn1ccnc1[C@@H](NC(=O)C[C@H]1NC(=O)c2ccccc2NC1=O)c1ccccc1 886025702 VQYKPXPCYQVCTK-MJGOQNOKSA-N 403.442 1.767 0 50 HDAA COc1cc(CN2C[C@H]3CN(Cc4cc(C)no4)C[C@]3(CO)C2)cc2c1OCO2 1772708605 DONUGRCMSRUFKA-KKSFZXQISA-N 401.463 1.647 0 50 HDAA O=C(c1cncc(=O)[nH]1)N1CCC[C@@]2(CCc3c(O)nc(-c4cccnc4)nc32)C1 1857696378 XUUNOQRRQMQZHU-OAQYLSRUSA-N 404.430 1.448 0 50 HDAA C[C@H](O)C(=O)N1CCC2(CC1)OCCc1cc(-c3ncccc3C(N)=O)sc12 1857737144 ZATWZFSVQUANCT-LBPRGKRZSA-N 401.488 1.680 0 50 HDAA CCc1nnc(C(=O)N[C@@H]2CC[C@@H]3CN(C(=O)CCc4nc[nH]n4)C[C@@H]3C2)s1 1875362281 YRQMVJCORJXETJ-FRRDWIJNSA-N 403.512 1.208 0 50 HDAA Cc1nc(NC(=O)[C@@H](C)N(c2ccccc2)S(C)(=O)=O)sc1C(=O)N(C)C 1940195386 QCVUWOPAKPSUCM-GFCCVEGCSA-N 410.521 1.947 0 50 HDAA O=C(CCCn1ccccc1=O)NC1CC(NC(=O)CCCn2ccccc2=O)C1 2325715879 YBOQYISXNCPTPA-UHFFFAOYSA-N 412.490 1.034 0 50 HDAA O=C(CCS(=O)(=O)Cc1ccc[n+]([O-])c1)NCc1c[nH]nc1-c1ccccc1 2325872519 BDCXGOMEGFIJMS-UHFFFAOYSA-N 400.460 1.331 0 50 HDAA CNCc1cccc(NC(=O)c2ccc3c(c2)CN([C@@H]2CCC(=O)NC2=O)C3=O)c1 2325896468 ZFDMNNNCFVRHRE-GOSISDBHSA-N 406.442 1.419 0 50 HDAA CS(=O)(=O)NCC(=O)N1C[C@@H]2C[C@H](C1)[C@@H]1CCCCN1[C@H]2Cc1cccc(F)c1 2356159657 LSRHSRRSHVMZHH-UMGGQSCQSA-N 423.554 1.619 0 50 HDAA Cc1nnc(SCCNC(=O)C[C@H]2C(=O)NCCN2Cc2ccccc2)s1 11880106 ABVHRLXAIRCBRT-HNNXBMFYSA-N 405.549 1.446 0 50 HDAA CC[C@H](O)CNC(=O)c1sc2ncnc(NCCCN3CCOCC3)c2c1C 14986063 BRKASWPZRADODH-AWEZNQCLSA-N 407.540 1.635 0 50 HDAA O=C(CS(=O)(=O)Cc1ccccc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 19372724 ODVGCCHJPXJUAO-UHFFFAOYSA-N 416.499 1.675 0 50 HDAA C[C@@H](O)C(=O)N1CCc2ccc(S(=O)(=O)NCCOc3ccccc3)cc2C1 77321155 NQVLNBHZYUYJHF-OAHLLOKOSA-N 404.488 1.309 0 50 HDAA CC(=O)N[C@H](C(=O)N1CCC2(CCC(=O)N(Cc3ccncc3)C2)CC1)C(C)C 91411253 ZBOPOYMJQQCVJB-FQEVSTJZSA-N 400.523 1.974 0 50 HDAA CCN(CC)CCCNC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc(OC)cc3)C[C@@]23C=C[C@H]1O3 252383397 XGTPJIBZUWTHLC-AWWSKVOZSA-N 413.518 1.830 0 50 HDAA C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)NC[C@H](C)c2ccc(F)cc2F)CC1 466420018 VFABGTQAPURYCU-HOTGVXAUSA-N 424.492 1.643 0 50 HDAA CC(C)C[C@@H]1[C@H](C(=O)N2CCCC2)C[C@@H]2CN(C(=O)c3cncn3C)CC(=O)N21 1857685908 ZNSCKYAMDPCMQF-BRWVUGGUSA-N 401.511 1.130 0 50 HDAA Cc1ccc(OCC(=O)N[C@@H]2CCC[C@H](NC(=O)CN3CCCC3=O)C2)cc1C 1857692232 VLGUUSACTHUYOU-ZWKOTPCHSA-N 401.507 1.848 0 50 HDAA CN(C)c1nc(O)c2c(n1)[C@@]1(CCCN(C(=O)CNC(=O)c3ccccc3)C1)CC2 1857700830 IJCUYRJRXAFZAW-QFIPXVFZSA-N 409.490 1.485 0 50 HDAA C=CC(=O)N1CCC[C@@H](C(=O)N2CCc3c(cccc3S(=O)(=O)N(C)C)C2)C1 2325889489 TTXZNWQULNRVOB-MRXNPFEDSA-N 405.520 1.246 0 50 HDAA CC[C@H](C)[C@H](C(=O)N[C@H]1CCN(c2cc(=O)n(C)c(O)n2)C1)n1cccc1C=O 2325899602 NIXDKJNYWCSAQQ-SUNYJGFJSA-N 401.467 1.082 0 50 HDAA Cn1cnc2nc(N3Cc4nnc(C5CCOCC5)n4[C@@H](Cc4cnc[nH]4)C3)ncc21 2356168915 HNNJAJTZFJXLJG-HNNXBMFYSA-N 420.481 1.376 0 50 HDAA COC(=O)c1ccccc1NC(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O 653226 VPXFWCORNJZRNE-UHFFFAOYSA-N 422.459 1.895 0 50 HDAA O=C(c1cn(CCN2CCOCC2)nn1)N1CCC[C@@H](c2nc3ccccc3o2)C1 20909005 GKZKNXYWBHRROJ-MRXNPFEDSA-N 410.478 1.771 0 50 HDAA COc1ccc(S(=O)(=O)N2CCN(c3cc(-n4cccn4)nc(C)n3)CC2)cc1 65365007 JVVSEIUVKPHZJX-UHFFFAOYSA-N 414.491 1.490 0 50 HDAA CN1CCC(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCN(C)CC3)c2)CC1 71754822 XFXDHHXYGIQCDE-UHFFFAOYSA-N 414.959 1.100 0 50 HDAA COc1cccc(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N(C)Cc3cc[nH]n3)[C@H]4C2=O)c1 77407352 HOEWSTYXLQNHQD-WEMPKCCASA-N 408.458 1.359 0 50 HDAA Cc1ccc(N2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N(C)Cc3cnn(C)c3)[C@@H]4C2=O)cc1C 77516478 XQIZPAQPDCRTDL-VAWZGJIGSA-N 406.486 1.982 0 50 HDAA O=C(CC[C@H]1NC(=O)c2ccccc2NC1=O)NCCn1cnc2ccccc2c1=O 169772695 JGXAETWNMNZKCD-GOSISDBHSA-N 419.441 1.044 0 50 HDAA COc1ccc(N2C(=O)N[C@H](CC(=O)N3CC[C@@]4(O)CCCC[C@H]4C3)C2=O)cc1 409415182 WHFFAVWPRCHMJC-OXTHUFEASA-N 401.463 1.664 0 50 HDAA Cn1cc(-c2nc([C@@H]3COCCN3C(=O)c3ccc4c(c3)NC(=O)C4(C)C)no2)cn1 498726682 AEPGYCBCLLJZHR-INIZCTEOSA-N 422.445 1.914 0 50 HDAA C[C@H](N[C@@H]1C[C@@H](C)N(c2ccccc2)C1=O)c1ccc(S(=O)(=O)CC(N)=O)cc1 820821861 GFYNBKAAFUERGR-ZRGWGRIASA-N 415.515 1.790 0 50 HDAA CN1CCC(O)(CNS(=O)(=O)c2ccc(-c3cc(C(F)(F)F)n[nH]3)o2)CC1 1506397542 WFJCHHGBPPFKDL-UHFFFAOYSA-N 408.402 1.424 0 50 HDAA CCCCN1C[C@@H]2CN(c3nc(N)c4cc(OC)c(OC)cc4n3)C[C@@]2(CO)C1 1772805455 LBCCIASQDZSOGV-SPLOXXLWSA-N 401.511 1.760 0 50 HDAA CCCCN1C[C@@H]2CN(C(=O)CNS(C)(=O)=O)C[C@]2(CCc2ccccc2)C1 1772815872 AONLTOKADOQWBY-CTNGQTDRSA-N 407.580 1.729 0 50 HDAA O=C(N[C@H]1CCS(=O)(=O)C1)c1nc(C(=O)N2CCCCCC2)c2ccccn12 1858223704 BHOKQGVFXVRZIC-AWEZNQCLSA-N 404.492 1.267 0 50 HDAA CCOC(=O)CCNC(=O)CC[C@]1(Cc2ccc(OC)c(OC)c2)CCC(=O)N1 11787788 VLVMYYZXFPMBTB-OAQYLSRUSA-N 406.479 1.745 0 50 HDAA CCOC(=O)[C@@H]1CCCN(C2CCN(Cc3nc(-c4cnccn4)no3)CC2)C1 11814527 FLACYSBFCXWTPI-OAHLLOKOSA-N 400.483 1.766 0 50 HDAA COC(=O)C1CCN(C[C@@H](O)COc2ccc(CN(C)Cc3ccon3)cc2)CC1 11818052 LYAZBYSGYXDTNA-HXUWFJFHSA-N 417.506 1.931 0 50 HDAA COc1cccc(OC[C@H](O)CNC(=O)CN2Cc3ccccc3O[C@H](C)C2)c1 14878625 BQWFMFDMODNVQW-SJLPKXTDSA-N 400.475 1.834 0 50 HDAA O=S(=O)(CC1CC1)c1ncc(CN2CCc3[nH]ncc3C2)n1C[C@@H]1CCCO1 19731122 BPLROLXPZCJQRQ-KRWDZBQOSA-N 405.524 1.527 0 50 HDAA O=C(CCn1nnnc1CN1CCOCC1)N1CCC[C@H](c2ccc(Cl)cc2)C1 20452498 OIRZNLWLINAEFG-KRWDZBQOSA-N 418.929 1.955 0 50 HDAA O=S(=O)(c1cc(F)ccc1F)N1CCN(c2ccc(-n3cccn3)nn2)CC1 67602230 XEWUCOLNRZXOLJ-UHFFFAOYSA-N 406.418 1.451 0 50 HDAA Cc1nc(CCC(=O)N2CCC3(CC2)CN(CCOc2ccccc2)C(=O)O3)n[nH]1 77429039 SVIJNXLFNRGLNS-UHFFFAOYSA-N 413.478 1.938 0 50 HDAA CN(CCO)C[C@@H]1CN(C(=O)c2ccc3[nH]c(C(F)(F)F)nc3c2)C[C@@H]1CO 91877143 YWZHHWAHPLKEIB-CHWSQXEVSA-N 400.401 1.186 0 50 HDAA COCC(=O)N1CCC(Oc2ccc(C(=O)N[C@@H](C)c3nncn3C)cc2)CC1 95499167 OKRKWCDGCKASLM-AWEZNQCLSA-N 401.467 1.322 0 50 HDAA CCCCNc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@@H](O)COc1ccccc1Cl 170624363 LPEKCXIYPOLGBQ-GFCCVEGCSA-N 421.885 1.729 0 50 HDAA COC(=O)CC1CCN(C(=O)C[C@@H]2NC(=O)N(Cc3cccc(F)c3)C2=O)CC1 170625173 OMFHKVNCSOTWNC-INIZCTEOSA-N 405.426 1.438 0 50 HDAA COc1ccc(CN2C(=O)N[C@H](CCC(=O)NCc3cccn3C)C2=O)cc1OC 206254956 HKDOCEXVIUGQIE-MRXNPFEDSA-N 414.462 1.559 0 50 HDAA C[C@H](Cn1cccn1)NC(=O)C(=O)NCc1ccc(N2CCc3ccccc3C2)nc1 253407658 HRMGKIPTXXEVTL-QGZVFWFLSA-N 418.501 1.662 0 50 HDAA CCN1CC[C@H](N(C)c2ncnc3c2ncn3C[C@H](CO)[C@H]2CCOC2)C[C@H]1C 888097235 FVIPZBRBHVTKGL-XDNAFOTISA-N 402.543 1.780 0 50 HDAA O=C(NCc1noc(-c2ccc3c(c2)OCO3)n1)[C@@H]1CC(=O)N(Cc2ccccn2)C1 952869986 SEKUUFFELPYKRW-CQSZACIVSA-N 421.413 1.525 0 50 HDAA C=CC(=O)N1CCC(C(=O)N(C)[C@@H]2CCN(S(C)(=O)=O)C2)(c2ccccc2)CC1 1468345824 VEBMIKLXOLDKMF-GOSISDBHSA-N 419.547 1.225 0 50 HDAA CC(=O)c1ccc(C(=O)N2C[C@@H]3CN(C(=O)c4cc(C)on4)C[C@]3(CO)C2)s1 1772702900 LYSCXEIDRILNHH-ORAYPTAESA-N 403.460 1.454 0 50 HDAA Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(C(=O)c3cccc(Cl)c3)C[C@]2(CO)C1 1772711190 RMAIXOMTJGTEOJ-HRAATJIYSA-N 414.893 1.954 0 50 HDAA O=C(c1ccc(O)cn1)N1CCC2(CCc3c(O)nc(N4CCOCC4)nc32)CC1 1940196492 ONFPEGUPLJSJEL-UHFFFAOYSA-N 411.462 1.240 0 50 HDAA NC(=O)[C@H]1CCCN(c2ncccc2CNC(=O)c2ccccc2-n2cccn2)C1 2325713434 FRMVTQOJGFDMAL-KRWDZBQOSA-N 404.474 1.899 0 50 HDAA CCN1C[C@@H](C(=O)N2CCCC[C@@H](NC(=O)c3cccc(C)c3N)C2)CCC1=O 2325864252 JZYZOTMXGHPZLE-DLBZAZTESA-N 400.523 1.947 0 50 HDAA O=C(Cc1ccccc1O)NCc1ccc2c(c1)C(=O)N([C@H]1CCC(=O)NC1=O)C2 2325896186 SMWICPBICDFPBA-KRWDZBQOSA-N 407.426 1.012 0 50 HDAA O=C1CC[C@@H](N2Cc3cc(C(=O)Nc4ccc5c(c4)CNCC5)ccc3C2=O)C(=O)N1 2325896331 WNSHDLCHYYBCOF-LJQANCHMSA-N 418.453 1.346 0 50 HDAA Cc1nnc(SCCn2c(Br)nc3c2c(=O)[nH]c(=O)n3C)s1 1898071 AOWPQVXTYUZVHD-UHFFFAOYSA-N 403.287 1.138 0 50 HDAA COc1ccc(CCCN2C(=O)O[C@@H]3CN(S(=O)(=O)N4CCCC4)C[C@@H]32)cc1 12590714 GEUAFSFEZQFLIG-ZWKOTPCHSA-N 409.508 1.473 0 50 HDAA COc1cccc(N2C(=O)C[C@H](N3CCC(C(N)=O)(N4CCCCC4)CC3)C2=O)c1 18250513 VTQWDUXFSVNYKY-SFHVURJKSA-N 414.506 1.133 0 50 HDAA COc1ccc(CN2C(=O)N[C@H](CC(=O)Nc3nc(C)cs3)C2=O)cc1OC 206241974 PMKCMCIZCZYRSE-GFCCVEGCSA-N 404.448 1.918 0 50 HDAA CC[C@H](C)N1C(=O)[C@@H]2[C@H]([C@@H](C)O)N[C@@]3(C(=O)Nc4c(C)cc(Cl)cc43)[C@@H]2C1=O 252383347 KYBSGTWCHDEYMC-XYPYWFNJSA-N 405.882 1.548 0 50 HDAA O=C1CO[C@@]2(CCN(C(=O)c3ccc(CN4CCc5ccccc5C4)cc3)C2)CN1 1772815849 ZUWZJSLVJDRRHK-DEOSSOPVSA-N 405.498 1.976 0 50 HDAA CCn1cc(CN2C[C@H]3CN(CC4COCCOC4)C[C@@]3(CCC(=O)O)C2)cn1 1772817917 JFWUKNYAUDVNDD-PZJWPPBQSA-N 406.527 1.165 0 50 HDAA CC(=O)N1CCC[C@@]2(C(=O)N3CCC(CCn4cccn4)CC3)CCN(C)C[C@H]12 1775984124 HXZSKEXOENQDMF-RBBKRZOGSA-N 401.555 1.845 0 50 HDAA Cc1nc2c(c(=NCCc3cn[nH]c3)[nH]1)CCC21CCN(c2cc[nH]c(=N)n2)CC1 1857683495 VJIYGLSLFHHSKN-UHFFFAOYSA-N 405.510 1.272 0 50 HDAA CCn1cc(C(=O)NC[C@@H]2CN(CC3CCN(CC4CC4)CC3)C(=O)CO2)c(C)n1 1857709475 ZKKMEGBJGUOURT-LJQANCHMSA-N 417.554 1.291 0 50 HDAA Cc1cc2nc[nH]c(=NC[C@@]34CCCC[C@@H]3CN(C(=O)CN3CCOCC3)C4)c2[nH]1 1875327622 BXCJUAOXHMVXSW-VGOFRKELSA-N 412.538 1.451 0 50 HDAA Cc1cc(C(=O)N[C@H]2C3CN4CCN(C3)CC2(c2ccccc2)C4)nn1C(F)F 1940197515 VWXFTIBCORIDNE-GFBDMGBSSA-N 401.461 1.884 0 50 HDAA CCOC(=O)C1=C(N)N2C(=O)[C@H](C)SC2=C(C(=O)OC)[C@H]1c1ccccc1OC 1075430 ILCPEENVIYSJBC-GWCFXTLKSA-N 418.471 1.874 0 50 HDAA Cc1ccc(C(=O)[C@@H](C)n2c(N3CCOCC3)nc3c2c(=O)n(C)c(=O)n3C)cc1 4626159 JNVOABOLXZVOCH-CQSZACIVSA-N 411.462 1.023 0 50 HDAA O=C(NCc1ccc2c(c1)OCO2)c1nc(Cn2cc(Br)cn2)no1 4742706 UMZATCHNOMHDEQ-UHFFFAOYSA-N 406.196 1.736 0 50 HDAA COCC(=O)N[C@@H](c1nnc2n1CCN(Cc1ccc(O)c(OC)c1)CC2)C(C)C 12035140 LLUMCRZTBIEDSG-HXUWFJFHSA-N 417.510 1.510 0 50 HDAA O=C(Cn1nnnc1CN1CCCCCC1)N1CCCC[C@@H]1CCN1CCOCC1 12708276 UDLRAMXNRUCQEX-LJQANCHMSA-N 419.574 1.153 0 50 HDAA O=C(O)/C=C/C(=O)N(Cc1ccc2c(c1)OCO2)[C@@H]1CC(=O)N(c2ccccc2)C1=O 18284145 LINZWRYGUMIPNB-ROJDOSBLSA-N 422.393 1.717 0 50 HDAA COc1cc(CN2CCN(CC3CC3)CC2)ccc1OC[C@H](O)CN1CCOCC1 23375490 JOVGEHZTQFGLRZ-OAQYLSRUSA-N 419.566 1.295 0 50 HDAA CN1CCC(NC(=O)[C@@H]2CCCN(S(=O)(=O)CCCc3ccccc3)C2)CC1 65364704 LIWDBDJKIWNBHA-LJQANCHMSA-N 407.580 1.871 0 50 HDAA O=C(NC[C@@H]1CN(CC2CCN(CC3CC3)CC2)C(=O)CO1)c1ccc(Cl)cn1 299771296 XYMNGJNPUNPRSM-GOSISDBHSA-N 420.941 1.814 0 50 HDAA Cn1cnnc1CN1CCC(N2C[C@@H](COc3ccc(F)cc3)OCC2=O)CC1 299796471 QNWTUVFHKOPKFF-SFHVURJKSA-N 403.458 1.225 0 50 HDAA CC(C)c1nc(C(=O)N2CCC[C@@H](n3ncc(N4CC[C@H](O)C4)cc3=O)C2)cs1 328607383 WAGGGTAGHZKNQQ-ZBFHGGJFSA-N 417.535 1.872 0 50 HDAA CCc1ccc(CN2CCc3c(C(=O)N[C@@H]4CCNC[C@H]4O)csc3C2)nc1 426668349 NFXCBPAOTBNJSG-RTBURBONSA-N 400.548 1.716 0 50 HDAA CN(C)C(=O)OC1CCN(C(=O)CN2C(=O)N[C@@]3(CCCC(C)(C)C3)C2=O)CC1 818694066 YGXBMCOKXCVFGA-HXUWFJFHSA-N 408.499 1.566 0 50 HDAA COCC(=O)N[C@]1(C)CCOC2(CCN(Cc3cccc(O)c3Cl)CC2)[C@H]1O 1772707468 SZAQGSSEPJXJDQ-RBUKOAKNSA-N 412.914 1.683 0 50 HDAA COc1ccc2cc1Oc1cc(ccc1O)CCC(=O)N[C@@H]1CN(C(=O)CN)C[C@@H]21 1875241980 ZGMQRGUETRIISE-JKSUJKDBSA-N 411.458 1.509 0 50 HDAA O=C1NC(=O)C2(CCC(NC(=O)c3ccc(Cn4nnc5ccccc54)cc3)CC2)N1 1875256988 MMYLCYYZORENQD-UHFFFAOYSA-N 418.457 1.730 0 50 HDAA Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1[C@@H]1NC(=O)N([C@@H]2CCNC2=O)C1=O 1875334725 BBDGHQPUEUEJHP-HIFRSBDPSA-N 421.379 1.989 0 50 HDAA Cc1ccccc1[C@@H](CC(=O)O)NC(=O)COCCCn1cc([C@H](O)C2CC2)nn1 1875354305 UPOVNCCLNXXQOQ-DYESRHJHSA-N 416.478 1.769 0 50 HDAA C=CC(=O)N[C@H]1CCCO[C@@H]1C1CCN(C(=O)C(=O)NCc2ccc(F)cc2)CC1 1875383577 ZTRCQCXFPPHLMS-AZUAARDMSA-N 417.481 1.530 0 50 HDAA O=C1CC[C@H](N2Cc3cc(NC(=O)N4CCc5ncccc54)ccc3C2=O)C(=O)N1 2325901491 IIFDZNBMVRYFSV-KRWDZBQOSA-N 405.414 1.437 0 50 HDAA O=C(N[C@H]1CCCOC12CCNCC2)c1cc2c(s1)CCOC21CCNCC1 2356163074 WHJGDPTXMBRZGM-SFHVURJKSA-N 405.564 1.931 0 50 HDAA O=C(Cn1cnc2ccccc2c1=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 1071706 STDHNIXQWSVBLQ-UHFFFAOYSA-N 412.471 1.820 0 50 HDAA Nc1nc(SCC(=O)NCCN2CCOCC2)nc2sc3c(c12)CCCC3 19902880 CPHMUVOHJJACKB-UHFFFAOYSA-N 407.565 1.693 0 50 HDAA Cc1cn2cc(CNC(=O)c3ccc(CN4CCC[C@@](C)(O)C4)[nH]c3=O)nc2s1 77354323 MTJMYOYQSHCELI-HXUWFJFHSA-N 415.519 1.669 0 50 HDAA Cc1ccc(N2C[C@]34C=C[C@H](O3)[C@H](C(=O)N(C)Cc3cnn(C)c3)[C@@H]4C2=O)cc1C 77516476 XQIZPAQPDCRTDL-GJPOJAMWSA-N 406.486 1.982 0 50 HDAA Cc1nn(C)cc1S(=O)(=O)N1CCC[C@@H](c2nccn2Cc2cccnc2)C1 95527259 NIGLLKPDHWKJGB-QGZVFWFLSA-N 400.508 1.937 0 50 HDAA COc1cccc(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N3CCCN(C)CC3)[C@@H]4C2=O)c1 107129878 XAZNPQAJTJXJBZ-VAWZGJIGSA-N 411.502 1.141 0 50 HDAA Cc1nc(C)c(C(=O)NC[C@@H]2CN(C3CCN(C4CCC4)CC3)C(=O)CO2)s1 299795111 KTGONXWMJBDKOC-QGZVFWFLSA-N 406.552 1.734 0 50 HDAA COCc1ccc(C(=O)N2CCC[C@@H](n3ncc(N4CCOCC4)cc3=O)C2)cc1 328608601 ZYHIHMWIWYOHHR-LJQANCHMSA-N 412.490 1.704 0 50 HDAA CN(C)c1nc(N)nc(CNC(=O)c2cc3c(-c4ccccc4)nn(C)c3s2)n1 426574853 VWDTUBHQDLMZED-UHFFFAOYSA-N 408.491 2.065 0 50 HDAA CCC(=O)NCc1cc2n(n1)CCN(CC(=O)NCCc1cccc(Cl)c1)C2 426581012 RLACZUNSESOXOJ-UHFFFAOYSA-N 403.914 1.737 0 50 HDAA O=C1CCc2cc(S(=O)(=O)NCc3csc(-c4cnccn4)n3)ccc2N1 828281736 SSUWVQIFGTXLBI-UHFFFAOYSA-N 401.473 1.963 0 50 HDAA COCc1noc(CN2CCC(CNC(=O)[C@@H]3COc4ccccc4O3)CC2)n1 952968657 PIHBTSYQVPZTAU-KRWDZBQOSA-N 402.451 1.384 0 50 HDAA CCN1CCNC(=O)[C@H]1CC(=O)N1CCC(CNC(=O)c2ccc(F)cc2)CC1 952980484 HCBWULUSWQPSJC-GOSISDBHSA-N 404.486 1.005 0 50 HDAA CCc1nn2c(=O)cc(CN3CC[C@H](O)[C@](CO)(Cc4ccccc4)C3)nc2s1 1529109543 DMLBMSCQBTUDTC-LAUBAEHRSA-N 414.531 1.501 0 50 HDAA CSCC(=O)N1C[C@@H]2CN(C(=O)C3Cc4ccccc4C3)C[C@]2(CCC(=O)O)C1 1772709946 TVMSPJQRPYPVGT-GCJKJVERSA-N 416.543 1.916 0 50 HDAA Cc1cc(N)n(CC(=O)N2CCC[C@]3(CCc4c(O)nc(-c5cccnc5)nc43)C2)n1 1857698502 VDYGLDCJDFAWAO-QFIPXVFZSA-N 419.489 1.838 0 50 HDAA CCc1ncc(C(=O)N2CC(=O)N3[C@@H](C[C@H](C(=O)OC)[C@@H]3c3ccccc3)C2)cn1 1857735438 DWRMEENFYQCAJZ-ZWOKBUDYSA-N 408.458 1.626 0 50 HDAA O=C1NCC2(CN(C(=O)C[C@H]3CCCN(c4nc5ccc(Cl)cc5o4)C3)C2)N1 1875248528 VZUJQZRXBZNRMU-GFCCVEGCSA-N 403.870 1.982 0 50 HDAA CCc1nnc(C(=O)N[C@@H]2CC[C@H]3CN(C(=O)CCc4nc[nH]n4)C[C@@H]3C2)s1 1875362283 YRQMVJCORJXETJ-RWMBFGLXSA-N 403.512 1.208 0 50 HDAA O=C1NCCN(Cc2ccc(F)cc2)[C@H]1CC(=O)N1CC2(COc3ccccc3C2)C1 2356145236 HKFNBQRLDBMWMA-FQEVSTJZSA-N 423.488 1.980 0 50 HDAA CC[C@H](C)Nc1nc2c(c(=O)n(C)c(=O)n2C)n1C[C@@H](O)COc1ccccc1C 637538 DIFHZGTWAAQLEQ-LSDHHAIUSA-N 415.494 1.392 0 50 HDAA Cn1c(=O)c2c(nc(N3CCCCC3)n2CCSc2ncccn2)n(C)c1=O 808467 STVWIQPNJLFZLW-UHFFFAOYSA-N 401.496 1.006 0 50 HDAA O=C(CCn1nnnc1CN1CCOCC1)N1CCC(Cc2ccccc2F)CC1 20782544 AKPCBRRCWIQYHB-UHFFFAOYSA-N 416.501 1.516 0 50 HDAA CN1CCC(Oc2ccc(CNC(=O)[C@H]3CCCN(S(C)(=O)=O)C3)cc2)CC1 65362703 CSFZOSNHJFWULD-KRWDZBQOSA-N 409.552 1.447 0 50 HDAA COc1ccc(CCn2nc(C(=O)O)c3c2CCN(C(=O)c2ccnn2C)C3)cc1 67446646 QAPHRFIUMTZGDP-UHFFFAOYSA-N 409.446 1.765 0 50 HDAA NC(=O)c1cccnc1N1CCC([C@]2(CCc3ccccc3)NC(=O)NC2=O)CC1 67847814 UFYKXBSUBKEWKI-QFIPXVFZSA-N 407.474 1.608 0 50 HDAA O=C([C@H]1CCCN(C2CCN(c3cc(NCCO)ncn3)CC2)C1)N1CCCC1 71763630 CERGKJWJPONHPJ-KRWDZBQOSA-N 402.543 1.184 0 50 HDAA Cc1ccc(C)c(S(=O)(=O)N2CCN(c3ccnc(N4CCOCC4)n3)CC2)c1 82230458 ZDTUXPCQVDWIGV-UHFFFAOYSA-N 417.535 1.441 0 50 HDAA CCOC(=O)C1=CN(CC(=O)N[C@H](C)CCc2ccccc2)S(=O)(=O)N=C1C 169771881 BAHQITHPIPBDHE-CQSZACIVSA-N 407.492 1.592 0 50 HDAA NCc1ccc(C(=O)NC[C@H]2CN(CC3CCN(CC4CC4)CC3)C(=O)CO2)cc1 299779226 KGNJVYXZZGHAMS-NRFANRHFSA-N 414.550 1.225 0 50 HDAA O=C(COc1ccccc1)NC[C@@H]1CN(C2CCN(C3CCC3)CC2)C(=O)CO1 299793512 HJSDFMNTGBUMKW-HXUWFJFHSA-N 401.507 1.426 0 50 HDAA C[C@H](Nc1cc(N[C@@H](C)C2(S(C)(=O)=O)CC2)ncn1)C1(S(C)(=O)=O)CC1 328592895 IZIRWQZEGZCZEE-RYUDHWBXSA-N 402.542 1.232 0 50 HDAA O=S(=O)(N1CCOCC1)N1CCN(Cc2nc(-c3ccccc3)cs2)CC1 506538451 GLPBDWAZOJAACM-UHFFFAOYSA-N 408.549 1.505 0 50 HDAA O=C(N[C@@H]1C2CN3CCN(C2)CC1(c1ccccc1)C3)c1cc(-c2ccccn2)[nH]n1 670465078 YOJMRBSYEKLOBQ-XAHYOPIXSA-N 414.513 1.769 0 50 HDAA NC(=O)[C@@H]1CCCN(CCCNS(=O)(=O)c2cc(C(=O)O)c(Cl)cc2F)C1 826829037 JTAPVMLQSURCBJ-SNVBAGLBSA-N 421.878 1.043 0 50 HDAA CSCC(=O)N[C@]1(C)CCOC2(CCN(C(=O)Cc3ccsc3)CC2)[C@H]1O 1704351228 GGDUIINWRFWYQX-ZWKOTPCHSA-N 412.577 1.671 0 50 HDAA O=C(O)Cn1cc(C=Cc2nc3ccc(Br)cn3c(=O)c2Cl)nn1 1857530177 XEEGURSMKMGUHS-UHFFFAOYSA-N 410.615 1.957 0 50 HDAA O=C(CO)N1CC[C@]2(C1)Cn1c(nnc1C(c1ccccc1)c1ccccc1)CO2 1857707176 HIUZRRRGRSDXJC-QHCPKHFHSA-N 404.470 1.952 0 50 HDAA Cc1ccc(-n2cccn2)cc1S(=O)(=O)N1CCOC[C@@H](CN2CCCC2)C1 1857714931 SUUGBUKTUPRMJV-SFHVURJKSA-N 404.536 1.914 0 50 HDAA Cn1cc([C@H]2[C@H](CN3CCCCC3)OCCN2C(=O)CCCn2cncn2)cn1 1857723333 AQXFQICQKNXCAH-ICSRJNTNSA-N 401.515 1.246 0 50 HDAA CCN(C)C(=O)[C@H]1C[C@H]2CN(C(=O)c3ccc[nH]3)CC(=O)N2[C@H]1c1ccc(OC)cc1 1857727013 HYOVPIRIIJCOCJ-MDKPJZGXSA-N 424.501 1.916 0 50 HDAA NS(=O)(=O)c1ccc(F)c(CNc2c(S(N)(=O)=O)ccc3ccccc23)c1 1875279448 IFHJIWXNJDPHAE-UHFFFAOYSA-N 409.464 1.886 0 50 HDAA O=C1CSC[C@@H](C(=O)NC[C@H](NC(=O)c2cc3ccsc3s2)C2CC2)N1 1875345844 KGJLJYGABGPHFP-RYUDHWBXSA-N 409.558 1.819 0 50 HDAA CS(=O)(=O)NC(=O)c1cccnc1N1CCN(Cc2cccc(Cl)c2)CC1 1875390816 PDMRFWPWTAPCPM-UHFFFAOYSA-N 408.911 1.747 0 50 HDAA Cc1ccccc1OCC(=O)Nc1ccc2c(c1)C(=O)N([C@H]1CCC(=O)NC1=O)C2 2325896102 RCRKEUTUQGHLNR-KRWDZBQOSA-N 407.426 1.774 0 50 HDAA O=C(NC1CCC1)[C@@]12CC[C@H](N3CCOCC3)C[C@H]1CCN(c1ncc(F)cn1)C2 2356164027 BGZUTHAIRAZTED-GTCCEBARSA-N 417.529 1.982 0 50 HDAA COc1ccc(S(=O)(=O)N(C)CC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 627920 LRENMIYDINFUEF-UHFFFAOYSA-N 421.494 1.804 0 50 HDAA CS(=O)(=O)N(CC(=O)N1CCN(c2ccccc2)CC1)c1ccc2c(c1)OCO2 1076599 RHPMJCDEFYBRBU-UHFFFAOYSA-N 417.487 1.530 0 50 HDAA O=C(NCc1ccc2c(c1)OCO2)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 1473131 WKJZMURVUCJSPC-INIZCTEOSA-N 418.471 1.803 0 50 HDAA Cn1cc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc4c(c3)OCCO4)C2)cn1 6828223 UQAIWPLSWNQTOU-ZDUSSCGKSA-N 406.464 1.231 0 50 HDAA CN(C)S(=O)(=O)N1CCC(C(=O)Nc2ccccc2C(=O)N2CCCC2)CC1 10688902 ZSGCVCFZRMFLCR-UHFFFAOYSA-N 408.524 1.380 0 50 HDAA COc1ccc(S(=O)(=O)NC[C@H]2CCCN(C(=O)CCN3CCCO3)C2)cc1 12058729 MCLCXCYBOPAOCO-MRXNPFEDSA-N 411.524 1.240 0 50 HDAA CC(=O)Nc1nnc(CCOC[C@@H](C)OCCc2nnc(NC(C)=O)s2)s1 12383559 YZVXPZKJFALXLL-SECBINFHSA-N 414.513 1.513 0 50 HDAA COc1cc(C(=O)NCCCN2CCC[C@@H](O)C2)ccc1OC1CCN(C)CC1 14968213 QUWDGQCQKOHJHK-GOSISDBHSA-N 405.539 1.745 0 50 HDAA CCOC(=O)CN1CCN(C(=O)CCCCSc2ncnc3nc[nH]c23)CC1 34771677 LRBHMEDBGGLUBQ-UHFFFAOYSA-N 406.512 1.323 0 50 HDAA CC(=O)Nc1ccc(S(=O)(=O)NCCNc2cc(N3CCCC3)nc(C)n2)cc1 65364261 UFRZZTHGTPJWMJ-UHFFFAOYSA-N 418.523 1.734 0 50 HDAA COCCN1CCc2c(cccc2-n2nnc(C(=O)N3C[C@H](C)O[C@@H](C)C3)c2C)C1 229570194 QNDALPRURNGTNL-HOTGVXAUSA-N 413.522 1.830 0 50 HDAA COC(=O)c1ccccc1NC(=O)[C@@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@@H]2OC(C)(C)O[C@@H]12 229990825 CPGSEYHVBKEJHT-VFCJXBEMSA-N 407.419 1.808 0 50 HDAA CCOC(=O)[C@@H]1[C@H](c2ccc(O)c(OCC)c2)NC(=S)N[C@]1(O)C(F)(F)F 238882035 BXEOZHQTYFFOSS-SLEUVZQESA-N 408.398 1.740 0 50 HDAA Cc1c(NC(=O)[C@H](C)N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c(=O)n(-c2ccccc2)n1C 238923576 OWPYXGRYYOBCNG-OLEVXBPZSA-N 420.469 1.619 0 50 HDAA CC1(C)CN(C(=O)[C@@H]2CCCN(C(=O)CCOc3ccccc3)C2)CCN1CCO 682008096 POMWALPRPDUVFZ-LJQANCHMSA-N 417.550 1.609 0 50 HDAA Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CC(=O)OC34CCCC4)CC2)cc1 827693853 YJNOVFODSKLLHL-QGZVFWFLSA-N 406.504 1.704 0 50 HDAA Cc1nn(Cc2ccccc2)c(C)c1[C@@H]1COCCN1C(=O)C1=NN2CCCN=C2N1 952895193 XVEBHSZWTQVXNY-SFHVURJKSA-N 421.505 1.427 0 50 HDAA Cc1nnn(C23C[C@H]4C[C@@H](CC(NC(=O)[C@H](O)COc5ccccc5C)(C4)C2)C3)n1 952976331 ZICBJWKWCCDJDX-CDASLUBFSA-N 411.506 1.894 0 50 HDAA CCCCN1C[C@@H]2CN(C(=O)CN(c3cccc(C)c3)S(C)(=O)=O)C[C@]2(CO)C1 1772816154 LCEIYGNJWVCJBF-NQIIRXRSSA-N 423.579 1.314 0 50 HDAA CCCS(=O)(=O)NC[C@H]1[C@H]2CN(C(=O)c3ccc(C)cc3OC)C[C@]23CC[C@H]1O3 1875245995 WLXRNGHCESMYDK-XKGFGPFHSA-N 422.547 1.953 0 50 HDAA CN(CC(=O)N1CCc2ccccc2[C@@H](NC(=O)c2cc(CO)on2)C1)C1CCC1 1875331088 OIDKBRCWLBPATQ-FQEVSTJZSA-N 412.490 1.507 0 50 HDAA CCN1C[C@H](C(=O)N2CCCC[C@H](NC(=O)c3c(F)ccc(N)c3F)C2)CCC1=O 2325864774 ZPMCDMYICUGZJG-KGLIPLIRSA-N 422.476 1.916 0 50 HDAA CC(C)(C)OC(=O)N(CCO)[C@H]1CCN(C(=O)N[C@@H]2CCN(c3ccccn3)C2)C1 2325874202 DLOWCCDKTWHXIY-SJORKVTESA-N 419.526 1.674 0 50 HDAA CNC(=O)[C@]12CN(C(=O)c3cc(-c4ccc(OC)cc4OC)[nH]n3)C[C@H]1CCO2 2325898677 SASGAMOJYCPFPE-ODXCJYRJSA-N 400.435 1.071 0 50 HDAA Cc1ccc(C(=O)Nc2cccc(C(=O)O)c2)cc1S(=O)(=O)N1CCOCC1 797233 XOFOVSJRRQGMAW-UHFFFAOYSA-N 404.444 1.966 0 50 HDAA COC(=O)c1cc(C2CC2)nc2c1c(=O)n(CC(=O)Nc1cccc(C)c1)c(=O)n2C 12462825 XEDJFPZNODVOKA-UHFFFAOYSA-N 422.441 1.706 0 50 HDAA Cc1c(C(N)=O)sc(NC(=O)CN2CCN3CCC[C@@H]3C2)c1C(=O)OC(C)C 20295038 ZMGDKWZHOSZCMJ-CYBMUJFWSA-N 408.524 1.439 0 50 HDAA Cc1ccc(CCC(=O)NCCc2nnc(SCCN3CCOCC3)n2C)cc1 20323420 YSBLLHRNOLATKY-UHFFFAOYSA-N 417.579 1.839 0 50 HDAA COc1cc(CNCCn2nc(C)cc2C)ccc1OC[C@H](O)CN1CCOCC1 20451251 TUOYMOWYFNNKSD-HXUWFJFHSA-N 418.538 1.370 0 50 HDAA CCOC(=O)N1CCN(Cc2ccccc2OC[C@@H](O)CN2CCSCC2)CC1 20540229 AKJQJGOVRVTROE-IBGZPJMESA-N 423.579 1.749 0 50 HDAA COc1cccc(CN(C)CCN2CCCC2)c1OC[C@H](O)CN1CCOCC1 39421073 RJRGAQGCYJEOHP-HXUWFJFHSA-N 407.555 1.295 0 50 HDAA Cc1ccc(NC(=O)C2CCN(S(=O)(=O)N(C)C)CC2)cc1N1CCCC1=O 72115403 BMLUUBLLWCUVRK-UHFFFAOYSA-N 408.524 1.579 0 50 HDAA CC(=O)Nc1ccc(N2C(=O)[C@@H]3[C@H](C)N[C@@]4(C(=O)Nc5ccccc54)[C@@H]3C2=O)cc1 245254594 APSOXGPIXXHVNR-ZNMQCXFDSA-N 404.426 1.590 0 50 HDAA Cn1ncc2c1C[C@H](C(=O)NS(=O)(=O)c1cc(Br)cs1)CC2 806096167 KLDPAIJPDCYGKK-MRVPVSSYSA-N 404.311 1.854 0 50 HDAA Cc1c(-c2ccccc2)nn(C)c1NC(=O)[C@H]1[C@@H]2CC[C@@]3(CN(CCN)C(=O)[C@@H]13)O2 1529159359 PBBNOQCFVSVLLH-FSTVOOFJSA-N 409.490 1.299 0 50 HDAA O=C(O)[C@]12COCC[C@H]1CN(Cc1ccccc1OCCCN1CCOCC1)C2 1857669725 HTXHDXLKHKAOPF-SIKLNZKXSA-N 404.507 1.711 0 50 HDAA COC1(C(=O)N2CCN(c3cnccn3)CC2)CCN(Cc2nccs2)CC1 1857700488 INNPICOKWHJNRT-UHFFFAOYSA-N 402.524 1.263 0 50 HDAA Cc1nc(C(=O)N2CCC3(CCc4c(O)nc(N5CCOCC5)nc43)CC2)cs1 1857717540 XWAKXCBXTHLJJN-UHFFFAOYSA-N 415.519 1.904 0 50 HDAA COc1cccc(CN2CC[C@@]34OCCN3C(=O)C[C@@H]24)c1OCCCn1ccnc1 1857719242 HXJNCNAYVOJZGJ-KNQAVFIVSA-N 412.490 1.894 0 50 HDAA COC(=O)[C@@H]1C[C@@H]1c1cn(C[C@@]2(O)CCN(C(=O)CCc3cccc(C)c3)C2)nn1 1875338442 YGTZEBXMRVWJAM-NJNPRVFISA-N 412.490 1.459 0 50 HDAA Cc1[nH]nc2ncnc(N3C[C@]45CCCC[C@]4(CN(C(=O)c4cnnc(O)c4)C5)C3)c12 1875361514 UCHWUAFEYJVYBX-OYRHEFFESA-N 420.477 1.680 0 50 HDAA COC(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1cc2c(s1)CCOC21CCNCC1 2356157886 WEGZFRLMBHEAPK-AWEZNQCLSA-N 404.492 1.137 0 50 HDAA CNC(=O)c1cc(S(=O)(=O)N2CCN(c3ccccc3OC)CC2)ccc1C 6702027 FGRBIDUBNFVQSF-UHFFFAOYSA-N 403.504 1.874 0 50 HDAA COc1ccc(CN2CCN3C(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H]3C2)cc1 14533573 AUJLFMBWQFVDBQ-FCHUYYIVSA-N 418.497 1.930 0 50 HDAA CNC(=O)c1cc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)ccc1OC 16625810 GTGHUXOTDRVRPC-UHFFFAOYSA-N 403.504 1.561 0 50 HDAA Cc1ccc(N2C(=O)C[C@@H](NCCc3ccc(S(N)(=O)=O)cc3)C2=O)cc1Cl 18250387 XXTCHQYCFPCHIN-QGZVFWFLSA-N 421.906 1.760 0 50 HDAA O=C(NC[C@H]1COCCO1)c1coc(CN2CCN(c3ccccc3F)CC2)n1 55153776 FQCGVJVAKQVQTM-HNNXBMFYSA-N 404.442 1.281 0 50 HDAA NCCC(=O)N1CCc2ccc(S(=O)(=O)NCCOc3ccccc3)cc2C1 77302045 GFQAKISZSCDKRI-UHFFFAOYSA-N 403.504 1.277 0 50 HDAA Cn1ccnc1C(=O)N1CCC(N2CCC[C@H](C(=O)NCc3ccccn3)C2)CC1 82125476 QNVCIIUJSWWRTC-KRWDZBQOSA-N 410.522 1.448 0 50 HDAA O=C(C[C@@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O)NCCc1ccncc1 170625230 LSMLAOGPPCLDHE-IBGZPJMESA-N 405.458 1.775 0 50 HDAA biogenic C[C@H](CNC(=O)c1cccc(N2NC(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1)N1CCOCC1 227842872 YBJVJLFPLHAKDH-LZQZEXGQSA-N 412.490 1.097 0 50 HDAA COc1ccc(-c2n[nH]c(NC(=O)C[C@@H]3NC(=O)c4ccccc4NC3=O)n2)cc1 253414647 YBWPUJMXQREGBV-HNNXBMFYSA-N 406.402 1.560 0 50 HDAA biogenic Cc1c(C)[n+]([O-])c([C@H](c2ccc3nccnc3c2)C2C(=O)OC(C)(C)OC2=O)n1C 263586970 AKNQJQUSLMVACN-MRXNPFEDSA-N 410.430 1.803 0 50 HDAA COc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(C)n(C(F)F)n3)CC2)cc1 534876859 CHLMMBASXZOPMU-UHFFFAOYSA-N 414.434 1.742 0 50 HDAA Cc1cc(C)n(CCCC(=O)N[C@H]2C3CN4CCN(C3)CC2(c2ccccc2)C4)n1 670451860 WNSGSOLQTKFRES-GWHCDVRWSA-N 407.562 1.964 0 50 HDAA Cc1ccc(Nc2cccc(C(=O)O[C@H](C)C(=O)N3CCC[C@H](C(N)=O)C3)c2)nn1 736876502 JWLHIINQJOYNDZ-ZBFHGGJFSA-N 411.462 1.798 0 50 HDAA Cc1cccc(CN2CCCC[C@@H]2C(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)c1 1328552560 YERMKJCPXOTFJX-LJQANCHMSA-N 421.501 1.934 0 50 HDAA O=C(O)CC[C@]12CN(Cc3nccs3)C[C@H]1CN(C(=O)Cc1ccncc1)C2 1772817923 JIVCNMCWWVLGHG-OXJNMPFZSA-N 400.504 1.906 0 50 HDAA COCCn1nnc([C@H]2CN(C(=O)CCc3nc4ccccc4s3)CCO2)n1 1857738854 BJLFFROYLHGPNF-CQSZACIVSA-N 402.480 1.462 0 50 HDAA CCNC(=O)c1cc(NC(=O)c2ccoc2CN2CCNC(=O)C2)nc2ccccc12 1875254836 OVXDJTQBVJKYMQ-UHFFFAOYSA-N 421.457 1.762 0 50 HDAA Cc1cn(-c2cccnc2)[nH]c1=NC(=O)N1CCN(c2ccc(CN(C)C)cn2)CC1 2325742305 PTAHERKIBZAZMJ-UHFFFAOYSA-N 420.521 1.808 0 50 HDAA O=C(NCCS(=O)(=O)NC1CCCCC1)N[C@@H]1CCN(c2ccccc2F)C1 2325744085 BGZMZFPHIOAUAL-MRXNPFEDSA-N 412.531 1.956 0 50 HDAA Cc1cc(O)nc(SCC(=O)N2CCC[C@]3(CCc4cnc(N(C)C)nc43)C2)n1 2356157570 LWNSYDBBMSLGSF-FQEVSTJZSA-N 414.535 1.945 0 50 HDAA Cc1ccc(C(=O)Nc2ccccc2C(=O)O)cc1S(=O)(=O)N1CCOCC1 847740 NDDQFSUDDIBYFQ-UHFFFAOYSA-N 404.444 1.966 0 50 HDAA FC(F)(F)COc1nc(N2CCOCC2)nc(N2CCN(c3ccccc3)CC2)n1 848758 HRUSXXSHWBBCQO-UHFFFAOYSA-N 424.427 1.976 0 50 HDAA COC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)OCc1ccccc1 1640105 YJQURCNBCROTGE-KBXCAEBGSA-N 400.431 1.907 0 50 HDAA COc1ccc(CCN(C)[C@@H]2CCCN(C(=O)CN3CCCC3=O)C2)cc1OC 11878448 WESKFXJXCWZGBR-GOSISDBHSA-N 403.523 1.792 0 50 HDAA O=C(/C=C/c1c[nH]cn1)N1CCC(Oc2cccc(C(=O)N3CCOCC3)c2)CC1 12433917 DKHXPCXPCFSBIT-SNAWJCMRSA-N 410.474 1.965 0 50 HDAA Cc1ccc(NC(=O)N[C@H]2C[C@H]3C(=O)N[C@H](Cc4ccc(O)cc4)C(=O)N3C2)cc1C 14535569 REVJQXNXMJGITC-SXLOBPIMSA-N 422.485 1.841 0 50 HDAA COc1ccc(S(=O)(=O)NC[C@H]2CCCN(C(=O)C3=C(C)OCCO3)C2)cc1 15074115 MZKHSINLNPWURG-OAHLLOKOSA-N 410.492 1.490 0 50 HDAA Cc1ccc(S(=O)(=O)CC(=O)Nc2ccccc2C(=O)N2CCOCC2)cc1 16527196 SAHSUZDRKPCHKW-UHFFFAOYSA-N 402.472 1.880 0 50 HDAA Nc1nc(N[C@@H](O)C(Cl)(Cl)Cl)nc(N[C@@H](O)C(Cl)(Cl)Cl)n1 25666830 KSWAAUWXVSYKCI-LWMBPPNESA-N 420.899 1.655 0 50 HDAA Cc1ccn(-c2cc(N3CCN(S(=O)(=O)c4ccccc4F)CC3)ncn2)n1 72436879 KPSCDPLHLNLKCT-UHFFFAOYSA-N 402.455 1.621 0 50 HDAA Cc1nnc(CN(C)C(=O)[C@H]2[C@@H]3C=C[C@@]4(CN(Cc5ccc(F)cc5)C(=O)[C@@H]24)O3)o1 77516050 YOZWEDAFBZEABW-JWVYWZTKSA-N 412.421 1.458 0 50 HDAA O=C1[C@@H]2CCCC[C@H]2C(=O)N1CCC(=O)N(Cc1ccco1)[C@H]1CCS(=O)(=O)C1 247806473 ZPBHTYSWVIOPDS-USXIJHARSA-N 422.503 1.361 0 50 HDAA CN(CC(=O)N[C@H]1C2CN3CCN(C2)CC1(c1ccccc1)C3)Cc1ccncc1 670436793 RBXGWMKJCOVKRY-GWHCDVRWSA-N 405.546 1.197 0 50 HDAA CNC(=O)CN1C[C@H]2CN(C(=O)c3nsnc3C)C[C@]2(CCc2ccccc2)C1 1772707340 YGVZNSPIQKABMD-UWJYYQICSA-N 413.547 1.599 0 50 HDAA CN(CC(=O)N1CC[C@@]23OC[C@@H](c4ccccc4)N2C(=O)C[C@@H]13)Cc1cccnc1 1857739024 IYZIGAUWENFIPT-MZKRTTBSSA-N 406.486 1.814 0 50 HDAA C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3nc(C4CC4)n[nH]3)cc2)C[C@H](C)O1 1875332236 NNFXJPCDYWCOMB-RYUDHWBXSA-N 405.480 1.732 0 50 HDAA Cc1nnc(C(=O)N(C)C2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H]2CC[C@H]3CCC(=O)N32)s1 1875362029 MTIGCSIOFVLWKZ-DRFQVBMSSA-N 417.535 1.594 0 50 HDAA O=C(Nc1cnn(Cc2nnc3n2CCC3)c1)N[C@@H](c1ccccc1)c1nc[nH]n1 2325854186 RIVKRWCRICIVPO-KRWDZBQOSA-N 404.438 1.498 0 50 HDAA CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCN3S(C)(=O)=O)cc1 1066365 DMQGUKPTSCCXSU-UHFFFAOYSA-N 409.489 1.768 0 50 HDAA COC(=O)c1ccc(NC(=O)CN(c2ccc3c(c2)OCO3)S(C)(=O)=O)cc1 2871583 RFYKLDKSJSQVGJ-UHFFFAOYSA-N 406.416 1.607 0 50 HDAA Cc1ncc2c(c1CNC(=O)c1ccsc1)CCN(C(=O)C1=NNC(=O)CC1)C2 11996120 SRVZCDXYXSLTIV-UHFFFAOYSA-N 411.487 1.532 0 50 HDAA COc1cccc(CCNC(=O)c2cccc(N3C(=O)[C@H](C)CS3(=O)=O)c2)c1 12002998 UUVGUPYKLATWEX-CQSZACIVSA-N 402.472 1.980 0 50 HDAA COc1cccc(N2C(=O)CN(C(=O)[C@H]3CC(=O)N(Cc4ccccn4)C3)C[C@H]2C)c1 12151729 XAZGPJWDMNSSMT-SJORKVTESA-N 422.485 1.703 0 50 HDAA COC(=O)C1CCN(C[C@@H](O)COc2cccc(CNCCn3ccnc3)c2)CC1 12303339 MNJGZPCCVYMKNU-HXUWFJFHSA-N 416.522 1.298 0 50 HDAA O=C([C@@H]1CCCN(Cc2nc(-c3ccc4c(c3)OCO4)no2)C1)N1CCOCC1 14980963 DTSMBPKVQNSVHN-OAHLLOKOSA-N 400.435 1.536 0 50 HDAA Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccccc3)CC2)n1 17012907 CBGROCDZNBOWBN-UHFFFAOYSA-N 403.508 1.133 0 50 HDAA COc1ccc(C2(CNC(=O)C(=O)NCCN3CCOCC3)CCCC2)cc1OC 20069149 MQRYKOYZYLVZAJ-UHFFFAOYSA-N 419.522 1.080 0 50 HDAA O=C(C[C@@H]1C(=O)NCCN1Cc1ccc(F)cc1)NCCCOc1cccnc1 20906849 AQAYLEMZCGWRNL-LJQANCHMSA-N 400.454 1.497 0 50 HDAA CCOc1ccc(C(=O)N2CCN(c3cc(C)nc(N4CCOCC4)n3)CC2)cc1 64799839 UQCHJBMZAGJUCP-UHFFFAOYSA-N 411.506 1.983 0 50 HDAA CN1CCN(C(=O)C[C@H]2C(=O)NCCN2Cc2cccc(Oc3ccccc3)c2)CC1 72151699 QDSBYPIEHUXFFC-QFIPXVFZSA-N 422.529 1.943 0 50 HDAA C[C@@H](O)[C@H](N)C(=O)N1CCc2cc(S(=O)(=O)N(C)Cc3ccccc3)ccc2C1 77506202 GFVDHMLWTWWBNB-QRWLVFNGSA-N 417.531 1.100 0 50 HDAA CN1CCN2c3c(F)cccc3C[C@@]3(C(=O)NC(=O)N(c4ccccc4)C3=O)[C@H]2C1 248150525 TVMRODHVKUWYIA-VGSWGCGISA-N 408.433 1.772 0 50 HDAA COc1ccc(CN2C(=O)[C@@H](CC(=O)NCc3nc4ccccc4[nH]3)N=C2O)cc1 252536623 IZKVCMTYKCXUEI-QGZVFWFLSA-N 407.430 1.903 0 50 HDAA O=C(N[C@@H]1C2CN3CCN(C2)CC1(c1ccccc1)C3)c1cccc2c1OCCO2 670438472 SZVUBWTYMIPFGW-XAHYOPIXSA-N 405.498 1.755 0 50 HDAA COc1ccccc1S(=O)(=O)N1C[C@H]2CN(CCc3ccccc3)C[C@]2(CO)C1 1772804382 NUZUBCISHZDKGR-DENIHFKCSA-N 416.543 1.853 0 50 HDAA COc1ccccc1CN1CCN(C(=O)[C@H]2CC(=O)N(c3nccs3)C2)CC1 1857667834 DZBZBVDJCDXEFN-INIZCTEOSA-N 400.504 1.849 0 50 HDAA CN1C(=O)COc2ccc(C(=O)N3CCC4(CCc5c(O)nc(=N)[nH]c54)CC3)cc21 1857720705 GDQDRXARFMQMJM-UHFFFAOYSA-N 409.446 1.070 0 50 HDAA Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)N2CC[C@]3(CCC(=O)N3)C2)cc1 1875345131 SIYDLKHLKNESPF-YLJYHZDGSA-N 405.520 1.419 0 50 HDAA COc1ccccc1[C@H](NC(=O)CCCCc1cn(CCCCO)nn1)C(=O)O 1875358426 VSZNPJRMMZGDRA-IBGZPJMESA-N 404.467 1.714 0 50 HDAA Cn1c(C(=O)N2CCN(C(=O)c3ccco3)CC2)cc2c(=O)n3ccccc3nc21 2916995 OPHQTJVEIIRCRW-UHFFFAOYSA-N 405.414 1.377 0 50 HDAA aggregator NC(=O)C1(N2CCCCC2)CCN([C@@H]2CC(=O)N(Cc3cccs3)C2=O)CC1 4196858 ASOIDEQDJQHLPF-MRXNPFEDSA-N 404.536 1.181 0 50 HDAA CCOC(=O)C1=C(C)N=c2s/c(=C/c3cnn(C)c3C)c(=O)n2[C@H]1c1ccccc1 8843447 SYSLQNXGCIJITR-OXRZLYTFSA-N 422.510 1.840 0 50 HDAA O=C(CC[C@@H]1CCCN(C(=O)CCn2cnnn2)C1)NCc1ccc(F)c(F)c1 11842368 KGQHSHYPCRDXQW-AWEZNQCLSA-N 406.437 1.677 0 50 HDAA COc1cc(OC)cc(C(=O)NCCn2cc(C(=O)N(C)Cc3ccccc3)nn2)c1 14986368 IWHTUTXNHHEYFU-UHFFFAOYSA-N 423.473 1.998 0 50 HDAA CN(Cc1n[nH]c2c1CCCC2)C(=O)C[C@H]1C(=O)NCCN1Cc1cccc(F)c1 15062516 VHCYJSMHIPJRLQ-FQEVSTJZSA-N 413.497 1.777 0 50 HDAA Cc1cc(Cl)cc(Cl)c1CNC(=O)Cn1ncc(N2CCNCC2)cc1=O 19608921 PUBWAVPMRAKJGX-UHFFFAOYSA-N 410.305 1.585 0 50 HDAA CN(C)CCc1nnc(NC(=O)N2CCC(C(=O)NCc3ccco3)CC2)s1 23380342 HTSKKMMLQVFSFF-UHFFFAOYSA-N 406.512 1.796 0 50 HDAA CC(C)CC(=O)N[C@H](C(=O)N1CCN([C@@H](C)C(=O)NC2CC2)CC1)c1ccccc1 110576972 RRSBJNQDPCMKIR-UWJYYQICSA-N 414.550 1.701 0 50 HDAA Cn1c(=O)[nH]c(=O)c2c1nc(NCc1cccnc1)n2CCCOc1ccccc1 170624335 WUAFFHOLSUXXTQ-UHFFFAOYSA-N 406.446 1.900 0 50 HDAA COC(=O)c1cn(-c2cccc(NC(=O)N3CCN(C(=O)c4ccco4)CC3)c2)nn1 225850621 BSXBUHFHAAGLRE-UHFFFAOYSA-N 424.417 1.637 0 50 HDAA Cc1ccc2ncc(CN3CCC[C@H](n4ncc(N5CC[C@H](O)C5)cc4=O)C3)n2c1 328604648 KOQSFVUZRCDOIW-PXNSSMCTSA-N 408.506 1.608 0 50 HDAA CC(C)(C)c1cc(C(=O)N2CCC[C@@H](n3ncc(N4CC[C@H](O)C4)cc3=O)C2)[nH]n1 328606552 RYTANEIEIYWEEC-ZBFHGGJFSA-N 414.510 1.312 0 50 HDAA O=C(Nc1nccs1)c1cccc(S(=O)(=O)N2C[C@@H]3C[C@H]4C[C@H]3[C@@H]2[C@H]4O)c1 408525183 OTJUFJDUCXVWIL-RWBGONCASA-N 405.501 1.785 0 50 HDAA CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1Nc1nc(-c2ccccc2)nc2c1CCC2 1704313211 HDMNREOELCPCOB-YJBOKZPZSA-N 402.520 1.951 0 50 HDAA O=C(NCc1ccc2c(c1)COC2)C(=O)NCc1ncn(Cc2cccc(F)c2)n1 1875256383 JLEGYKKCEZKBJL-UHFFFAOYSA-N 409.421 1.428 0 50 HDAA COc1ccc(C(=O)N=c2ccn(CCO)[nH]2)cc1S(=O)(=O)N1CCCCCC1 1875346808 BXCYAMZHSZYUJD-UHFFFAOYSA-N 422.507 1.123 0 50 HDAA Cc1[nH]nc2ncnc(N3C[C@]45CCCC[C@@]4(CN(C(=O)c4cnnc(O)c4)C5)C3)c12 1875361515 UCHWUAFEYJVYBX-SFTDATJTSA-N 420.477 1.680 0 50 HDAA COC(=O)[C@H]1CC[C@H](NC(=O)[C@H]2OCC(=O)N(C3CC3)[C@@H]2c2cccnc2)CC1 2100541000 SVJTYBXMMKPZDT-LRHNDGHRSA-N 401.463 1.361 0 50 HDAA CCn1ncc(Br)c1C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(C)CS[C@@H]12 2747683 QHYWBFAZHAEHPX-OQPBUACISA-N 415.269 1.038 0 50 HDAA O=C(COc1ccc(F)cc1)NCCNC(=O)c1nc(-c2ccc(F)cc2)no1 4772590 LDWZHKIFDWUETI-UHFFFAOYSA-N 402.357 1.940 0 50 HDAA COc1ccc(NC(=O)Cn2nnc(C(=O)NCc3cccs3)c2N)c(OC)c1 9677933 FVROQHKHWIZELY-UHFFFAOYSA-N 416.463 1.508 0 50 HDAA COCC(=O)N[C@H](c1nnc2n1CCN(Cc1ccc(O)c(OC)c1)CC2)C(C)C 12035137 LLUMCRZTBIEDSG-FQEVSTJZSA-N 417.510 1.510 0 50 HDAA Cc1nn(C)cc1[C@H](C)NC(=O)c1cc(C(=O)N[C@H](C)c2cn(C)nc2C)nn1C 20617468 BZIPLKSJJQJHMR-NEPJUHHUSA-N 412.498 1.486 0 50 HDAA COc1cc(NC(=O)CN2CCN(C(=O)[C@H]3CCCO3)CC2)c(OC)cc1Cl 35800923 PXVFNLPCYKTGHE-OAHLLOKOSA-N 411.886 1.619 0 50 HDAA Cc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)N(C)C)C2)cc1N1CCCC1=O 72436991 HXRVZMBSOBHVLZ-HNNXBMFYSA-N 408.524 1.579 0 50 HDAA CC(C)CCN1C[C@@]2(CCCN(C(=O)CCN(C)S(C)(=O)=O)C2)CCC1=O 95525557 IMFKVVAQGBPGPR-IBGZPJMESA-N 401.573 1.545 0 50 HDAA Cc1cccc2c(=O)n(CC(=O)N(C3CCCC3)[C@@H]3CCS(=O)(=O)C3)cnc12 248342210 XTCDKVUWPLRXBX-MRXNPFEDSA-N 403.504 1.663 0 50 HDAA COc1cc(CN2CCc3nnc([C@H](NS(C)(=O)=O)C(C)C)n3CC2)ccc1O 299770574 VPDZGBMTWLFVCC-GOSISDBHSA-N 423.539 1.297 0 50 HDAA O=c1cc(N2CCC(O)CC2)cnn1[C@@H]1CCCN(Cc2cccc3c[nH]nc23)C1 328606956 UFRBWCVPQMAVAO-GOSISDBHSA-N 408.506 1.918 0 50 HDAA CCN(C1CCN(c2nc(N)c3cc(OC)c(OC)cc3n2)CC1)S(C)(=O)=O 462842004 BYULGCSVNPAKMT-UHFFFAOYSA-N 409.512 1.480 0 50 HDAA Cn1nc2c(c1C(=O)N[C@H]1C3CN4CCN(C3)CC1(c1ccccc1)C4)CCCC2 670465159 YNGGXARKFGJKBE-NZAVSEOKSA-N 405.546 1.596 0 50 HDAA COc1ccc(N2CCN(CC(=O)Nc3nnc([C@@H]4CCCO4)s3)CC2)cn1 1857694249 HNKRTFQFKYGLOT-AWEZNQCLSA-N 404.496 1.554 0 50 HDAA COC(=O)[C@H]1C[C@H]2CN(C(=O)CCCn3cccn3)CC(=O)N2[C@H]1c1ccccc1 1857738216 XJMJXMYSUIHXGY-WFXMLNOXSA-N 410.474 1.637 0 50 HDAA Cn1cc([C@H]2[C@H](CN3CCCCC3)OCCN2C(=O)CCN2CCCCC2=O)cn1 1857738407 GVFDHIFSIOSRNC-UGKGYDQZSA-N 417.554 1.577 0 50 HDAA CCc1noc(C)c1C(=O)N[C@@H]1C[C@@H](C(=O)NCCn2cccn2)CC[C@H]1OC 1875247214 FYEMBUMAQVAUHN-USXIJHARSA-N 403.483 1.472 0 50 HDAA COc1cc(C(=O)N[C@H]2CC[C@H](C(=O)NCc3noc(C)n3)C[C@@H]2OC)ccn1 1875251164 OIXCBPCQJVTQGI-QEJZJMRPSA-N 403.439 1.012 0 50 HDAA CN(C)C(=O)c1ccc2c(c1)CCN2C(=O)CCn1c(=O)nc(O)c2ccccc21 1875254088 YPALQPZAPSREDE-UHFFFAOYSA-N 406.442 1.783 0 50 HDAA CO[C@H](C(=O)N1CC(CNC(=O)c2oc(SC)cc2C)(C(N)=O)C1)C1CCCC1 1875347911 WAYBQUPGLVQDBJ-INIZCTEOSA-N 423.535 1.559 0 50 HDAA C[C@H](NC[C@@H](O)COCc1ccc2c(c1)OCO2)c1ccc2c(c1)NC(=O)CO2 2325723188 CNGQUDDLOOBMAP-XJKSGUPXSA-N 400.431 1.975 0 50 HDAA CN(C)C(=O)c1cc(NC(=O)[C@H]2C[C@@H]2C(=O)Nc2ccnc(C(=O)N(C)C)c2)ccn1 2325733638 OQJTXVPHOVCFLY-GJZGRUSLSA-N 424.461 1.094 0 50 HDAA O=C(Cc1cccc(Cl)c1F)N[C@H]1C=CCN(C(=O)Cc2c(O)ncnc2O)C1 2325850512 ABERMJPJSCAFKO-LBPRGKRZSA-N 420.828 1.349 0 50 HDAA CNC(=O)N1CCC[C@@H]1C(=O)NC[C@H](C)NC(=O)[C@@H]1C[C@]12CCOc1ccccc12 2325872812 NRCPCMCBVHBPSP-LTTGWXLMSA-N 414.506 1.152 0 50 HDAA CC(C)c1cc(C(=O)N[C@H]2CCC[C@@H](CN3CCS(=O)(=O)CC3)C2)nc(=N)[nH]1 2356164026 BFSBDAJAAJLAOR-CABCVRRESA-N 409.556 1.032 0 50 HDAA CCOC(=O)N1CCN(S(=O)(=O)c2cc(Br)ccc2OC)CC1 644580 KRUUHFWHNMRASZ-UHFFFAOYSA-N 407.286 1.921 0 50 HDAA Cc1cc(N2C(=O)[C@@H](C)CS2(=O)=O)ccc1S(=O)(=O)N1CCC(C)CC1 11998008 ONJOJTHIFQYEKZ-AWEZNQCLSA-N 400.522 1.728 0 50 HDAA O=C1CC[C@@H](C(=O)N2CCN(C3CCCCC3)C(=O)C2)CN1CCc1ccccn1 12448133 RFCPURZZYJVCFA-GOSISDBHSA-N 412.534 1.866 0 50 HDAA CC(C)CN1C[C@@H](OCc2ccccc2F)CN(C(=O)[C@H]2CNC(=O)C2)CC1=O 14752525 USAUWPCLKOKBAA-IAGOWNOFSA-N 405.470 1.174 0 50 HDAA Cc1ccc(C)c(CN2CCc3nnc(CCNC(=O)[C@H]4CCCN(C)C4)n3CC2)c1 14974069 CJYZVHICUZNKIG-FQEVSTJZSA-N 424.593 1.954 0 50 HDAA O=C(NCCN1CCOCC1)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 20512863 IYWXLUXSQOVHBQ-UHFFFAOYSA-N 415.943 1.577 0 50 HDAA COc1ccccc1/C=C/CN1CCNC(=O)[C@H]1CC(=O)N(C)CC1CCOCC1 55197663 XIDBDVJRONCKGE-ZEZYUPADSA-N 415.534 1.784 0 50 HDAA Cc1nnc(CN(C)C(=O)[C@@H]2[C@@H]3C=C[C@@]4(CN(Cc5ccc(F)cc5)C(=O)[C@@H]24)O3)o1 77516047 YOZWEDAFBZEABW-VZRKHXGSSA-N 412.421 1.458 0 50 HDAA CCOc1ccc(S(=O)(=O)N[C@@H]2CCCC[C@H]2NS(C)(=O)=O)cc1OCC 170599214 IINQMHHARDCZHX-HUUCEWRRSA-N 420.553 1.623 0 50 HDAA COc1ccc(C2(C(=O)N3CC[C@H](N4CCN(C)CC4)[C@@H](O)C3)CCCC2)cc1 206112832 QRIOLYNMHSDKBF-SFTDATJTSA-N 401.551 1.716 0 50 HDAA CC(C)(C)OC(=O)N1CCN(C(=O)C[C@H]2N=C(O)N(c3ccccc3)C2=O)CC1 252508120 XDIFFPXYVLLDGS-OAHLLOKOSA-N 402.451 1.785 0 50 HDAA C[C@H](C(=O)Nc1cccc(-c2n[nH]c(C3CC3)n2)c1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 462004567 BABFTMKRBDVJIS-ZVRPKZHNSA-N 421.457 1.839 0 50 HDAA C[C@@](O)(C(=O)NC[C@H](O)COc1ccc2c(c1)CCC(=O)N2)c1ccc(Cl)cc1 815807845 VSYXYUXQNBMXKM-KKSFZXQISA-N 418.877 1.988 0 50 HDAA Cc1ccc(-c2cccc(CN3CCN(S(=O)(=O)N4CCOCC4)CC3)c2)o1 825197976 ZTCIYBWVEQLYHW-UHFFFAOYSA-N 405.520 1.950 0 50 HDAA O=C(NCCOc1cccc2cccnc12)C1CCN([C@H]2CCS(=O)(=O)C2)CC1 827758311 QWMVTBBGUGHLHG-SFHVURJKSA-N 417.531 1.629 0 50 HDAA O=C(N[C@@H]1C2CN3CCN(C2)CC1(c1ccccc1)C3)c1ccccc1-c1nn[nH]n1 828184060 BQTOICJBWKHDCH-VRVFXRSRSA-N 415.501 1.164 0 50 HDAA COC[C@H]1CCCN(S(=O)(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 1506415436 BSRJLOWGRPESDQ-KRWDZBQOSA-N 411.524 1.136 0 50 HDAA CC1(C(=O)N[C@]2(C)CCOC3(CCN(C(=O)c4cc(O)ccc4N)CC3)[C@H]2O)CC1 1704308056 DVCRDOOYKFOOLJ-GHTZIAJQSA-N 417.506 1.405 0 50 HDAA O=C(NCCCN1CCC[C@@H](O)C1)c1c(N2CCOCC2)noc1-c1ccccc1 1704311669 PFGLOMZOCLAFKU-GOSISDBHSA-N 414.506 1.755 0 50 HDAA Cc1cc(C(=O)N2CCCN(C(=O)[C@H]3CC(=O)OC34CCCCC4)CC2)nn1C 1772707206 LSTCAVYWPMZEHJ-MRXNPFEDSA-N 402.495 1.669 0 50 HDAA Cc1cnc(CN2C[C@H]3CN(CC(=O)Nc4ccc(C)c(F)c4)C[C@]3(CO)C2)[nH]1 1772815627 WYOLRRUCGGDXJQ-KKSFZXQISA-N 401.486 1.530 0 50 HDAA COC1(C(=O)N[C@@H](Cn2cccn2)c2ccccc2)CCN(S(C)(=O)=O)CC1 1857724483 YDTONTRXVPLVGQ-KRWDZBQOSA-N 406.508 1.181 0 50 HDAA O=C1CCCCCN1CCC(=O)N1CC[C@](Cc2ccccc2)(C(=O)O)[C@H](O)C1 1875246986 VPJGEFLZAAQYPU-XMSQKQJNSA-N 402.491 1.686 0 50 HDAA CCn1ncc(S(=O)(=O)Nc2cccc(NS(=O)(=O)c3ccccc3)c2)n1 1875317388 XVMPDOMKGMNAOH-UHFFFAOYSA-N 407.477 1.900 0 50 HDAA C[C@]1(C(=O)NC[C@@H](NC(=O)[C@@H]2CCc3ccccc32)C2CC2)CCCNS1(=O)=O 1875345264 UBRSAWCFKNVCFO-DBXWQHBBSA-N 419.547 1.199 0 50 HDAA C[S@](=N)(=O)CCc1cn(CC2(CNC(=O)Cc3cccc(C(=O)O)c3)CC2)nn1 1875354491 XVLKBIPUOPQOFJ-LJAQVGFWSA-N 419.507 1.334 0 50 HDAA Cc1ccc(CNC(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 4488052 GXZLEKMESYXZQX-UHFFFAOYSA-N 404.488 1.711 0 50 HDAA COC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)OC)[C@H]1c1cc(OC)c(OC)c(OC)c1 4809970 BQAMOHYYSCVYEY-ROYATCLZSA-N 410.419 1.098 0 50 HDAA O=C(CC[C@@]1(Cc2ccc3c(c2)OCO3)CCC(=O)N1)NCCOc1cccnc1 12242727 IALHTGCPGXZUSL-QFIPXVFZSA-N 411.458 1.977 0 50 HDAA CCc1cccc(NC(=O)Cn2c(=O)c3c(C(=O)OC)cc(C)nc3n(C)c2=O)c1 12413503 SNOQOTUCKRBGLJ-UHFFFAOYSA-N 410.430 1.391 0 50 HDAA COc1ccc(S(=O)(=O)N2CCN(c3ccc(-n4cccn4)nn3)CC2)cc1 13009209 HHBJTPXIGAFQCZ-UHFFFAOYSA-N 400.464 1.182 0 50 HDAA CC(C)N1CCc2c(c(C(=O)N3CCNC(=O)CC3)nn2CCc2ccccc2)C1 14539068 YEPPHXUCICDQNH-UHFFFAOYSA-N 409.534 1.854 0 50 HDAA COC[C@@H](C)NC(=O)[C@H]1CCCN(c2nc(C)c3ccc(S(C)(=O)=O)cc3n2)C1 14887146 KSMPIDZWGCRACC-HIFRSBDPSA-N 420.535 1.709 0 50 HDAA Cc1cnc(C)c(N2CCN(C(=O)c3cn(Cc4c(F)cccc4F)nn3)CC2)n1 15069511 IPKHOLQDUZASRS-UHFFFAOYSA-N 413.432 1.974 0 50 HDAA COc1ccc(CN2CCc3nnc(CNC(=O)CCc4cccnc4)n3CC2)cc1 20993720 NIHOUZDMLDZDNH-UHFFFAOYSA-N 420.517 1.989 0 50 HDAA CC(C)CCN1C[C@]2(CCCN(C(=O)CCN(C)S(C)(=O)=O)C2)CCC1=O 95525558 IMFKVVAQGBPGPR-LJQANCHMSA-N 401.573 1.545 0 50 HDAA CCc1nc(-c2c3n(c(=O)n(CC(=O)NC4CCCCC4)c2=O)CCCCC3)no1 169765349 OIERENQOTAQMNZ-UHFFFAOYSA-N 415.494 1.798 0 50 HDAA Cc1nnsc1C(=O)N=c1cc(-c2ccccc2)[nH]n1[C@@H]1CCS(=O)(=O)C1 334158244 AUTSXBDTEDRCRY-CYBMUJFWSA-N 403.489 1.744 0 50 HDAA COCC(=O)Nc1cc(CNC(=O)c2onc3c2CCCC3)cc(C(=O)OC)c1 426438830 JRBQRXIAENMYTN-UHFFFAOYSA-N 401.419 1.855 0 50 HDAA Cn1oc(C(=O)N2CC[C@](c3nc(-c4cccnc4)no3)(C(F)(F)F)C2)cc1=O 952892912 JQZCJCLLZODKII-INIZCTEOSA-N 409.324 1.770 0 50 HDAA CN(CCCOc1ccc(Cl)cc1)C(=O)[C@H]1[C@@H]2CC[C@@]3(CN(CCN)C(=O)[C@@H]13)O2 1506403572 UNQHEAMBPXMVNZ-UGNRZPKXSA-N 421.925 1.532 0 50 HDAA CNC(=O)C[C@H]1CCN(S(=O)(=O)c2ccc(-c3cc(C(F)(F)F)n[nH]3)o2)C1 1506427173 KPQBVENYLZOWOQ-SECBINFHSA-N 406.386 1.835 0 50 HDAA COc1ccc(OC)c(C(=O)N2CCC3(CC2)OCC[C@@](C)(NC(C)=O)[C@@H]3O)c1 1704329969 DWAQDWZVJXBIEO-VQTJNVASSA-N 406.479 1.355 0 50 HDAA COc1cccc(CN2C[C@@H]3COCC[C@]3(C(=O)O)C2)c1OCCn1ccnc1 1772700909 FWWYUGBENZVUEI-UTKZUKDTSA-N 401.463 1.894 0 50 HDAA CC(C)C(=O)C(F)(F)C(=O)N1CCc2nnc(N3C[C@@H]4CN(C)C[C@@H]4C3)cc2C1 1775960701 BPPAUSCBPAULEZ-GASCZTMLSA-N 407.465 1.220 0 50 HDAA Cc1ccc(CNC(=O)[C@H]2CC[C@@H](NC(=O)c3ccc(O)nc3)[C@H](O)C2)cc1F 2100544795 JNDXBWQZPJTGQG-BMGDILEWSA-N 401.438 1.811 0 50 HDAA CNC(=O)Cc1nc(-c2cc(-c3ccccc3F)[nH]n2)n(C[C@@H]2COCCO2)n1 2356142079 COQQCKHWUMQAEN-GFCCVEGCSA-N 400.414 1.178 0 50 HDAA C[C@H](NC(=O)c1ccc(N2CCN(C)CC2)c(S(N)(=O)=O)c1)c1ccccc1 5570326 SFQOLSSCXKZOAW-HNNXBMFYSA-N 402.520 1.577 0 50 HDAA CSCC[C@@H](NS(=O)(=O)c1ccc(I)cc1)C(=O)O 8834398 ANJRVPMBSWVDGI-SNVBAGLBSA-N 415.274 1.776 0 50 HDAA O=C(C[C@H]1C(=O)NCCN1Cc1ccc2ccccc2c1)NCCc1cnccn1 11815544 KXLGAHZMUXWVFP-NRFANRHFSA-N 403.486 1.679 0 50 HDAA CC(C)CN1CC[C@@H](N2CCOCC2)[C@@H](CCC(=O)N(C)C2CCN(C)CC2)C1 12281022 FAJJFBTXYNKUGG-RBBKRZOGSA-N 408.631 1.998 0 50 HDAA CC(=O)NS(=O)(=O)c1ccc(NC(=O)[C@H]2CC(Cl)=CC[C@H]2C(=O)O)cc1 12379549 OUXLSZIPAALAOZ-KGLIPLIRSA-N 400.840 1.683 0 50 HDAA COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NCc2c(C)n[nH]c2C)c(F)c1 12749238 SSOJNCVPXKYRCD-GOSISDBHSA-N 403.458 1.181 0 50 HDAA CN(Cc1cccc2cnccc12)C(=O)C[C@@H]1C(=O)NCCN1Cc1cccnc1 15065040 IQHRCLRQVSHGJQ-OAQYLSRUSA-N 403.486 1.979 0 50 HDAA CS(=O)(=O)N(Cc1ccc(C(=O)NCCN2CCOCC2)cc1)c1ccccc1 16623079 YPMLDAPCFMHVAX-UHFFFAOYSA-N 417.531 1.715 0 50 HDAA Cn1nc2n(c1=O)C[C@@H](C(=O)N1CCC(c3[nH]ncc3-c3ccccc3)CC1)CC2 67460097 QNASYKIWCQAIAI-KRWDZBQOSA-N 406.490 1.941 0 50 HDAA O=C(NCc1cccnc1)[C@@H]1CCCN(C2CCN(C(=O)c3cnccn3)CC2)C1 82161520 ORYZLAQIRPPUGQ-GOSISDBHSA-N 408.506 1.505 0 50 HDAA COCC(=O)N1CCc2nc[nH]c2C12CCN(C(=O)[C@H](C)n1ccnc1C)CC2 95499110 WVFWXJWLXFDHMG-AWEZNQCLSA-N 400.483 1.025 0 50 HDAA COc1ccc(CN2CCS(=O)(=O)CC2)cc1OC[C@@H](O)CN(C)C(C)C 95503963 RIVQZDQNIQSJSS-KRWDZBQOSA-N 400.541 1.006 0 50 HDAA CCN(CC)CC(=O)N1CCN(Cc2ccc(OCCOCCOC)cc2)CC1 170607417 MIKAXDNWLNBBMC-UHFFFAOYSA-N 407.555 1.714 0 50 HDAA COc1ccc(CCNC(=O)c2c(O)c3ccccc3n(CCC(N)=O)c2=O)cc1 170624761 XYIQLEFDMFYICA-UHFFFAOYSA-N 409.442 1.564 0 50 HDAA O=C(c1n[nH]c2c1CCC2)N1CC[C@H](N2CCN(c3ccccc3F)CC2)[C@@H](O)C1 207495594 YXEYIWJCMUMHJQ-PMACEKPBSA-N 413.497 1.435 0 50 HDAA CN1C(=O)NC(=O)[C@]2(Cc3ccccc3N3CCN(Cc4ccccc4)C[C@H]32)C1=O 229902860 WZHYCNUWACWWDP-WMZHIEFXSA-N 404.470 1.628 0 50 HDAA CC(C)N1CCO[C@H](CN2CCN(C(=O)c3cc(N4CCCC4)ccn3)CC2)C1 446049061 XOVFZRMWJCGAAR-HXUWFJFHSA-N 401.555 1.549 0 50 HDAA CCOC(=O)c1c[nH]c2cc3c(cc2c1=N[C@H](C)CN1CCN(C)CC1)OCO3 481996408 AAMPELISVQQQAB-CQSZACIVSA-N 400.479 1.610 0 50 HDAA COc1ccc(N2C[C@@H](C(=O)N[C@H]3CCN(c4cnn(C)c4)C3)CC2=O)c(OC)c1 1322956861 GBLSRCBMXZSRGD-GJZGRUSLSA-N 413.478 1.185 0 50 HDAA COc1ccc(S(N)(=O)=O)cc1C(=O)N1CCC([C@H](O)c2cccs2)CC1 1506430594 BLDAOUVZPKLNCY-KRWDZBQOSA-N 410.517 1.990 0 50 HDAA Cc1nsnc1C(=O)N1Cc2nnc(C3CCOCC3)n2[C@@H](Cc2cnc[nH]2)C1 1775980043 RNKQDBXWRJFBGW-AWEZNQCLSA-N 414.495 1.495 0 50 HDAA COCc1nnc(N2C[C@H](C(=O)NCCCc3cccc(OC)c3)CC2=O)s1 1857723168 XJNBZOAKOOFWMT-CQSZACIVSA-N 404.492 1.795 0 50 HDAA Cc1cc(C(=O)NC[C@H]2[C@H]3CN(CC4COCCOC4)C[C@]34CC[C@H]2O4)cnc1C 1857740495 PUBCNCFIDNPWKR-ZZLPTCMGSA-N 415.534 1.571 0 50 HDAA Cc1nc2c(c(=NCCn3ccnn3)[nH]1)CC[C@]21CCCN(Cc2ccccn2)C1 1875251396 FUSPGJUZBZFJIF-QFIPXVFZSA-N 404.522 1.786 0 50 HDAA O=C(c1cn(C2CC2)nc1C(F)(F)F)N1CC[C@@H](n2cc(C3(O)COC3)nn2)C1 1875329611 ABUKQXUEFGFOHS-LLVKDONJSA-N 412.372 1.133 0 50 HDAA CC(=O)NC1(CC(=O)N2C[C@@H]3CCC[C@@H](NC(=O)c4n[nH]c5ccccc45)[C@H]3C2)CC1 2325823813 FSOJYOGQYOHNFL-RYQLBKOJSA-N 423.517 1.979 0 50 HDAA CCOC(=O)C1CCN(C(=O)[C@H](C)N(c2ccc(OC)cc2)S(C)(=O)=O)CC1 785508 PGBCHFAHYVWSKW-AWEZNQCLSA-N 412.508 1.651 0 50 HDAA CC(=O)NCCC1CCN(C(=O)C[C@H]2C(=O)NCCN2Cc2ccc(C)cc2)CC1 12587707 NIWQSKHYRFHXOV-NRFANRHFSA-N 414.550 1.450 0 50 HDAA CCOc1cc(/C=C2/NC(=O)NC2=O)cc(I)c1OC(C)=O 13914744 JJZXVOZWDNYPKD-BJMVGYQFSA-N 416.171 1.796 0 50 HDAA COCCCN1C(=O)N(Cc2ccccn2)C(=O)C12CCN([C@@H](C)COC)CC2 14747340 NVOHJUZLNGHJKA-KRWDZBQOSA-N 404.511 1.752 0 50 HDAA Cc1nc(CNC(=O)C[C@H]2C(=O)NCCN2Cc2cccs2)nc2c1CCCC2 15063156 PLKYAFRVZCVOKF-SFHVURJKSA-N 413.547 1.732 0 50 HDAA CCN1CCN(CCCNC(=O)CCc2nc(-c3ccc(OC)cc3)no2)CC1 20181786 LVANAVCNMSVCLY-UHFFFAOYSA-N 401.511 1.822 0 50 HDAA COc1ccc(CCNC(=O)[C@H]2CCCN(c3ccc4nncn4n3)C2)cc1OC 32103999 JALXULZCOHPKFD-INIZCTEOSA-N 410.478 1.717 0 50 HDAA CNC(=O)c1c(NC(=O)Cc2nc3nc(C)cc(O)n3n2)sc2c1CCCC2 55073186 DZGAECFJGQONPW-UHFFFAOYSA-N 400.464 1.619 0 50 HDAA O=C(C[C@@H]1C(=O)NCCN1Cc1c(F)cccc1Cl)NCCCn1cccn1 55568614 QDTVGTCISFBXEV-QGZVFWFLSA-N 407.877 1.573 0 50 HDAA O=C(C[C@H]1C(=O)NCCN1Cc1c(F)cccc1Cl)NCCc1cscn1 59308176 ZXMSMTDVDZREPT-INIZCTEOSA-N 410.902 1.985 0 50 HDAA CCOC(=O)N1CCN(C(=O)[C@@H]2[C@@H]3C(=O)N(c4ccccc4)C[C@@]34C=C[C@H]2O4)CC1 252430914 SFXVERHUKIUIFY-FOUBCARRSA-N 411.458 1.274 0 50 HDAA Cc1noc(C)c1CN1CCc2c(C(=O)NCCc3nc(O)n[nH]3)csc2C1 426433630 JZIRTIVVAKEUFM-UHFFFAOYSA-N 402.480 1.707 0 50 HDAA COC(=O)c1ccc(S(=O)(=O)NCCNc2cc(OC)cc(OC)c2)c(OC)c1 442751598 CJMBPLYOQYKJFC-UHFFFAOYSA-N 424.475 1.889 0 50 HDAA Cc1cccc(C[C@H](CO)NC(=O)c2nc(C)n(-c3n[nH]c(C(F)(F)F)n3)n2)c1 470470631 NJFWAKPXLCUCCL-GFCCVEGCSA-N 409.372 1.354 0 50 HDAA O=C(c1ccc(Cn2cnnn2)cc1)N1C[C@@H](O)[C@H](Cc2ccnc3ccccc23)C1 1529100027 MURDSPPGGRGTPM-DENIHFKCSA-N 414.469 1.945 0 50 HDAA COc1cc(CS(=O)(=O)NC(=O)[C@@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)sn1 2325819435 DSSDFXMHKHQBFK-GXTWGEPZSA-N 423.516 1.707 0 50 HDAA Cc1ncn(-c2ccc(NC(=O)[C@H]3CNCC34CCS(=O)(=O)CC4)cc2)c1C 2325840821 SBPFPCNRWAHUJM-GOSISDBHSA-N 402.520 1.842 0 50 HDAA CN1CN(S(=O)(=O)c2cnc(-c3ccc(Br)cc3)s2)CC1=O 2325879915 LZSFYPFEXVVKQE-UHFFFAOYSA-N 402.295 1.993 0 50 HDAA Cn1cnnc1Sc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1cccc(Cl)c1 678123 LFFIQZGEIKUDJA-UHFFFAOYSA-N 417.882 1.415 0 50 HDAA biogenic CC(C)Cc1cc(CNC(=O)[C@@H]2CCC(=O)N(CCCN3CCCC3=O)C2)on1 12073528 OUHHSFJWYNRQIQ-MRXNPFEDSA-N 404.511 1.740 0 50 HDAA COC(=O)c1c(NC(=O)CN(C)Cc2cnn(C)c2)sc(C(=O)N(C)C)c1C 17087734 YHGQKSHDEKIEGW-UHFFFAOYSA-N 407.496 1.349 0 50 HDAA O=C(NCCN1CCN(C(=O)c2ccc(F)cc2)CC1)C(=O)NCc1ccccc1 19831421 AZCWMCGLYRODHV-UHFFFAOYSA-N 412.465 1.016 0 50 HDAA CCOC(=O)C1=C(CN2CCSCC2)NC(=O)N[C@H]1c1ccc2c(c1)OCO2 20500905 GSHAQNLOTQWYDL-KRWDZBQOSA-N 405.476 1.635 0 50 HDAA CN(C)c1cc(N2CCC(N3CCC[C@H](C(=O)N4CCOCC4)C3)CC2)ncn1 71745787 VOEYWZUZNKMVCH-KRWDZBQOSA-N 402.543 1.082 0 50 HDAA CCOC(=O)[C@H](CC1=CN[C@@H]2C=CC=C[C@H]12)NC(=O)CN1C(=O)c2ccccc2C1=O 100297222 WVOFZQZADYCTOA-LZQZEXGQSA-N 421.453 1.319 0 50 HDAA C[C@H](C(=O)NCc1ccccc1CN1CCOCC1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O 241383267 MTTQEZHQCFXANO-NSISKUIASA-N 411.502 1.475 0 50 HDAA O=S(=O)(CCCO)NCc1ccnc(N2CCN(c3ccc(F)cc3)CC2)c1 253431561 WJACGBJFJAYFNR-UHFFFAOYSA-N 408.499 1.349 0 50 HDAA C[C@]12CC[C@@H]3[C@H](CC[C@]4(O)C[C@H](O)CC[C@]34C(=O)O)[C@@]1(O)CC[C@H]2C1=CC(=O)OC1 253488122 XJIILRFVONGQOG-DSYAZWEGSA-N 420.502 1.784 0 50 HDAA biogenic CN(C)C[C@@]1(O)CCCN(C(=O)c2c(N3CCOCC3)noc2-c2ccccc2)C1 1704312811 ZSGVYNGCEQRURN-QFIPXVFZSA-N 414.506 1.707 0 50 HDAA Cc1noc(C)c1-c1ccc(S(=O)(=O)N2C[C@H]3CNC[C@]3(CN(C)C)C2)s1 1772700739 DTBIYKXSHNBAHV-KDOFPFPSSA-N 410.565 1.792 0 50 HDAA CC(C)N1CCC(CN2C[C@@H]3[C@H](CNS(=O)(=O)C4CC4)[C@H]4CC[C@]3(C2)O4)CC1 1875251298 WMHRUQJFKLMJOI-DOIPELPJSA-N 411.612 1.668 0 50 HDAA CCN1C[C@@H](C(=O)N2CCCC[C@@H](NC(=O)c3c(N)cccc3F)C2)CCC1=O 2325864146 HRHHAQFWZUDQJF-LSDHHAIUSA-N 404.486 1.777 0 50 HDAA CC/C(C)=C(\C)C(=O)N1CC[C@@H]2[C@H](C1)CN2C(=O)c1nc2ncc(CCO)cn2n1 2325872816 NWCVABCRHKKXNI-UEWLMQCVSA-N 412.494 1.078 0 50 HDAA COc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(NC(C)=O)cc3)CC2)cc1 900072 PQBTZJAJBKSYLC-UHFFFAOYSA-N 417.487 1.800 0 50 HDAA NC(=O)C1(N2CCCCC2)CCN(CC(=O)NCCc2c[nH]c3ccccc23)CC1 4741343 BXRVHWOARUKLJA-UHFFFAOYSA-N 411.550 1.632 0 50 HDAA CN1CCCN(C(=O)c2cn(CCNC(=O)C34CC5CC(CC(C5)C3)C4)nn2)CC1 12131570 VZZMLALQNWKOHZ-UHFFFAOYSA-N 414.554 1.388 0 50 HDAA COC(=O)c1cc(C)nc2c1c(=O)n(CC(=O)Nc1c(C)cc(C)cc1C)c(=O)n2C 12445083 BDDNSAWYSLBZKL-UHFFFAOYSA-N 424.457 1.754 0 50 HDAA COc1cc(CN(C)CCCN2CCOCC2)ccc1OC[C@H](O)CN(C)C(C)C 20209845 ZIISVESHWQZPCN-OAQYLSRUSA-N 423.598 1.929 0 50 HDAA COc1ccc(-c2cc(C(=O)N3CCSCC3)n[nH]2)cc1S(=O)(=O)N(C)C 21806301 LCISIRNBEKJVIO-UHFFFAOYSA-N 410.521 1.525 0 50 HDAA Cc1nnc(SCCNC(=O)C[C@@H]2C(=O)NCCN2Cc2cccc(F)c2)s1 55107782 DJIBVCAEVDWURX-OAHLLOKOSA-N 423.539 1.585 0 50 HDAA CCOCCC(=O)N1CCc2ccc(S(=O)(=O)N3CCC[C@H]3COC)cc2C1 77455297 KMRRLMKYSHMSCO-SFHVURJKSA-N 410.536 1.797 0 50 HDAA COc1ncccc1C(=O)NC[C@@H]1CN(CC2CCN(CC3CC3)CC2)C(=O)CO1 299797742 QFTKMZYXTUEQJP-GOSISDBHSA-N 416.522 1.169 0 50 HDAA Nc1ccc2c(N3CCC(NS(=O)(=O)c4ccc(F)cc4)CC3)ncnc2n1 301862278 FLZGISIVVJDXIN-UHFFFAOYSA-N 402.455 1.693 0 50 HDAA CC(C)C(=O)N1CCn2nc(CNC(=O)NC[C@@H](C)Oc3cccnc3)cc2C1 534676315 QBGFQVONMHQPIB-OAHLLOKOSA-N 400.483 1.543 0 50 HDAA CCN(c1ccccc1C)S(=O)(=O)NC(=O)CN1CCc2ccccc2C1=O 789488065 MROXYUAFNXSRAI-UHFFFAOYSA-N 401.488 1.881 0 50 HDAA COC[C@H]1CCCN(S(=O)(=O)N2CCC(CNC(=O)C3CCCC3)CC2)C1 952976630 NWQPUISJUFIRLG-KRWDZBQOSA-N 401.573 1.608 0 50 HDAA CC(=O)N[C@@]1(C)CC2(CCN(C(=O)c3cccc4c3CCC4=O)CC2)OC[C@@H]1O 1704312082 YXARNGPXSHQVEJ-FPOVZHCZSA-N 400.475 1.466 0 50 HDAA O=C1Cn2cnc3c2[C@@H](c2cccc(c2)OCCCN1)N(C(=O)c1cccnc1)CC3 1775983642 PXIYQPYRKSYKAA-OAQYLSRUSA-N 417.469 1.965 0 50 HDAA O=S(=O)(c1ccc2nc(O)nc(O)c2c1)N1CC[C@](O)(Cc2ccccc2F)C1 1875254515 XBKDPPOBVINMNF-IBGZPJMESA-N 419.434 1.548 0 50 HDAA O=C(N[C@@H]1CCCCCN(C(=O)[C@H]2CCCS2(=O)=O)C1)[C@@H]1CNc2ccccc21 1875344187 GWPPCVXPZNFVPK-SZVBFZGTSA-N 419.547 1.660 0 50 HDAA O=C(O)C[C@H]1C[C@@H](NC(=O)CSCc2cn(-c3cccc(CO)c3)nn2)CCO1 1875353625 ADMXBSVMJDLGSX-WMLDXEAASA-N 420.491 1.131 0 50 HDAA O=C([C@@H]1CCCC[C@H]1C(=O)N1CCC[C@@](F)(CO)C1)N1CCC[C@@](F)(CO)C1 2325725962 GJRUUPUNAIGPFT-YKCBXCCJSA-N 402.482 1.439 0 50 HDAA COc1cccc2c1C1(CCN(C(=O)[C@H]3CCCN(CC(N)=O)C3)CC1)OCC2 2356156595 JWFYBHAKIORRGB-KRWDZBQOSA-N 401.507 1.283 0 50 HDAA CCn1ccc(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3cn(CC)nc3C)C2)n1 2802486 CSNJZNSCYUILKF-HNNXBMFYSA-N 408.528 1.145 0 50 HDAA CN(Cc1ccc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)[nH]1)C[C@@H]1COCCO1 12280113 GILAABOBSANRNC-YLSHDAJPSA-N 415.534 1.921 0 50 HDAA CCc1cccc(C)c1NC(=O)Cn1c(=O)c2c(C(=O)OC)cc(C)nc2n(C)c1=O 12413526 IBZFXHCTXKTTLT-UHFFFAOYSA-N 424.457 1.700 0 50 HDAA C[C@@H](CNC(=O)Cn1nnnc1CN1CCc2ccccc2C1)Oc1cccnc1 15073801 QLMMCSJZYBGBEG-INIZCTEOSA-N 407.478 1.210 0 50 HDAA CN(Cc1nnc(-c2ccccc2)o1)C(=O)C[C@@H]1C(=O)NCCN1Cc1ccoc1 55037198 KDCQVVNAADVYIN-QGZVFWFLSA-N 409.446 1.679 0 50 HDAA Cc1nc(CN(C)C(=O)[C@@H]2[C@@H]3C=C[C@@]4(CN(Cc5cccnc5)C(=O)[C@H]24)O3)cs1 77354806 COGOACLOJOBXQR-NYUBLWNDSA-N 410.499 1.787 0 50 HDAA Cc1cn2cc(CNC(=O)c3ccc(CN(C)[C@@H]4CCN(C)C4)[nH]c3=O)nc2s1 77386874 FVAXPAVAPHJUGI-MRXNPFEDSA-N 414.535 1.458 0 50 HDAA CN(Cc1ccon1)C(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(c4ccc(CCO)cc4)C(=O)[C@H]13)O2 77470013 CCYMHXAZJLDZNJ-WEMPKCCASA-N 409.442 1.154 0 50 HDAA Cc1nc(N)sc1C(=O)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CC1 95505640 KBPLRFNNOHXSJT-UHFFFAOYSA-N 400.508 1.683 0 50 HDAA CCN1CCC[C@H]1CNC(=O)CC[C@H]1NC(=O)N(Cc2ccc(OC)cc2)C1=O 223217603 QRXZFZFPYQXLRG-FUHWJXTLSA-N 402.495 1.496 0 50 HDAA O=C1CN(C(=O)[C@H]2CC[C@H](CNS(=O)(=O)c3ccc(Cl)cc3)CC2)CCN1 245256106 NSGRAOAKBHRSLH-HDJSIYSDSA-N 413.927 1.383 0 50 HDAA O=C1NC(=O)[C@]2(CCCC[C@@H]2NC(=O)c2ccc(S(=O)(=O)C3CCC3)cc2)N1 1875329026 ZJGBUJZVEBCWID-HNAYVOBHSA-N 405.476 1.263 0 50 HDAA C[C@H](Cn1cc(COCCN(C)C)nn1)NC(=O)c1ccnc2cc(F)cnc12 1875337714 CXFZJSWIQOKTIA-CYBMUJFWSA-N 401.446 1.257 0 50 HDAA CCn1c(O)nc2cc(C(=O)N[C@H]3CCN(C(=O)c4ccncc4)C3)ccc2c1=O 2325740697 JMSKTYOGXDGNQD-HNNXBMFYSA-N 407.430 1.162 0 50 HDAA O=C(CCO)NC[C@@H]1[C@@H](c2ccccc2)[C@]12CN(C1Cc3ccccc3C1)C[C@H]2O 2356156897 VYIUCMGGNCPIIR-WMMXXEOUSA-N 406.526 1.729 0 50 HDAA COc1cc2c(cc1OC)C1(CCN(C(=O)c3nc(OC)n(C)n3)CC1)OCC2 2356159666 MAYCTWAKTUDGBN-UHFFFAOYSA-N 402.451 1.545 0 50 HDAA Cc1cc(C)n(CCCNC(=O)[C@@H]2CCCN(S(=O)(=O)c3cnn(C)c3C)C2)n1 2732562 ZVJHDBFYVRRZKV-QGZVFWFLSA-N 422.555 1.149 0 50 HDAA CCn1c(SCC(=O)N2CCOCC2)nnc1[C@@H](C)NC(=O)c1ccccc1 4842457 DFZAKYDOHXPMBU-CQSZACIVSA-N 403.508 1.740 0 50 HDAA O=C1NCCN(CC2CCCCC2)[C@@H]1CC(=O)N1CCN(C2CCCC2)C(=O)C1 12027940 JYCJILPONAXXNY-LJQANCHMSA-N 404.555 1.371 0 50 HDAA CN(C)S(=O)(=O)N1CC[C@H]2[C@H](CCCN2C(=O)c2ccc(F)c(F)c2F)C1 12333714 BEVAONHCILQKFP-RISCZKNCSA-N 405.442 1.837 0 50 HDAA CSc1nc(O)c(C(c2ccccn2)c2c(O)nc(SC)[nH]c2=O)c(=O)[nH]1 16225521 GDJDONXLZAWRRY-UHFFFAOYSA-N 405.461 1.283 0 50 HDAA CCN1CCN(C[C@H](O)COc2ccc(CN3CCSCC3)cc2OC)CC1 19741936 LXPUGFMBTSKONA-IBGZPJMESA-N 409.596 1.621 0 50 HDAA CCCS(=O)(=O)N1CCC[C@H](N2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 20254653 AZNSZOYNMPSCQW-SFHVURJKSA-N 409.552 1.737 0 50 HDAA COc1ccc(CN2CCN(CCn3cc(C(=O)NC(C)C)nn3)CC2)c(OC)c1 20598728 YWYNLSJPPVLOSR-UHFFFAOYSA-N 416.526 1.251 0 50 HDAA COc1ccc(-c2ccc(=O)n(CC(=O)N3CCN(c4ccccn4)CC3)n2)c(F)c1 44900669 GXBXIYQJOONDPC-UHFFFAOYSA-N 423.448 1.802 0 50 HDAA CCS(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(C(=O)N3CCN(C)CC3)cc2)C1 65362740 JGJSZLQROHCOKI-KRWDZBQOSA-N 422.551 1.074 0 50 HDAA CCOC(=O)C1=CN(CC(=O)N[C@@H](C)CCc2ccccc2)S(=O)(=O)N=C1C 169771880 BAHQITHPIPBDHE-AWEZNQCLSA-N 407.492 1.592 0 50 HDAA Cc1nn(C)c2ncc(C(=O)O)c(N3CCC4(CC3)NCC(C)(C)CNC4=O)c12 1772814155 LXSJBXGFXVGDRX-UHFFFAOYSA-N 400.483 1.060 0 50 HDAA CC1(C)CNC(=O)C2(CCN(C(=O)c3ccccc3N3CCOCC3)CC2)NC1 1772814328 TUKSTWUWLLUKOE-UHFFFAOYSA-N 400.523 1.244 0 50 HDAA CN1CC[C@]2(C(=O)NCCc3nccs3)CCCN(C(=O)c3cc[nH]n3)[C@H]2C1 1857703892 VJRQSIDRZBJJEF-HNAYVOBHSA-N 402.524 1.152 0 50 HDAA CN1C(=O)CCCN(Cc2ccncc2)CCCNC(=O)c2nn(C)c3c2C[C@H]1CC3 1857725704 IZMHHHIZGBUDGT-GOSISDBHSA-N 424.549 1.547 0 50 HDAA N=c1nc(-c2ccccc2)c(C(=O)N2C[C@@H](O)[C@]3(C2)[C@H](c2ccccc2)[C@H]3CO)c[nH]1 1857735028 DGRUZUDTZICQGA-DBYOASNMSA-N 416.481 1.765 0 50 HDAA CN(Cc1ccccc1Cl)C[C@@H](O)C1CCN(C(=O)CN2CCOCC2)CC1 1857740210 DNPZVBUJCUNMIZ-HXUWFJFHSA-N 409.958 1.704 0 50 HDAA Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1[C@H]1NC(=O)N([C@H]2CCNC2=O)C1=O 1875334724 BBDGHQPUEUEJHP-DZGCQCFKSA-N 421.379 1.989 0 50 HDAA O=C(c1cc(O)ncn1)N1CC[C@@H]([C@H]2CCCN2C(=O)c2ccc3nn[nH]c3c2)C1 1875360618 JULGCVLSRGXDCX-CXAGYDPISA-N 407.434 1.220 0 50 HDAA COc1ccccc1OCC(=O)NC[C@H](C)NC(=O)COc1ccccc1OC 4657011 WCXKYKKCSCRYBT-HNNXBMFYSA-N 402.447 1.783 0 50 HDAA NS(=O)(=O)c1ccc(NC(=O)CSc2nc(-c3ccccc3)cc(=O)[nH]2)cc1 15379145 MVESUZJJLJKLOH-UHFFFAOYSA-N 416.484 1.815 0 50 HDAA CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCC(=O)Nc1ccc(OCC(N)=O)cc1 170594750 RXRCIDUKUHCJQA-HNNXBMFYSA-N 420.466 1.005 0 50 HDAA CCn1c(-c2ccccc2F)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 242302367 YRXSNKHAJNUIIZ-UHFFFAOYSA-N 420.470 1.744 0 50 HDAA COC(=O)c1cn(-c2cccc(C(=O)NCc3cccnc3)c2)cc2c(=O)[nH]nc1-2 253401511 FRSJVCMMBKMSGI-UHFFFAOYSA-N 403.398 1.777 0 50 HDAA CN(C(=O)c1cccc(S(=O)(=O)N2C[C@@H]3C[C@H]4C[C@H]3[C@@H]2[C@H]4O)c1)c1ccccn1 408524974 FCRZYOOFKDCOIW-ZLOLBAIHSA-N 413.499 1.748 0 50 HDAA COc1cc2c(cc1CN1CCC(CNC(=O)c3cncn3C)CC1)OCCO2 824619491 VCYMXTCKWLASTR-UHFFFAOYSA-N 400.479 1.842 0 50 HDAA CC(C)C(=O)NCC(=O)N1CCC[C@@]2(CN(Cc3ccccc3F)CC[C@H]2O)C1 1857683270 TWOZTCNPUDNROU-DENIHFKCSA-N 405.514 1.773 0 50 HDAA O=C(Cn1nc2ccccc2n1)N1C[C@@H]2OCCC(=O)N(Cc3ccccc3)[C@H]2C1 1857708993 XQDLUYQTRZAHIR-PMACEKPBSA-N 405.458 1.460 0 50 HDAA Cc1noc(C)c1CN1CC2(CCN(C[C@H]3CC(=O)N(C)C3)CC2)OCCC1=O 1857710163 KCZIMDQJTTWMHU-KRWDZBQOSA-N 404.511 1.353 0 50 HDAA Cc1nonc1C(=O)NC[C@H]1[C@H]2CN(CCn3cc(Cl)cn3)C[C@]23CC[C@H]1O3 1857730723 ZLFHDXAGDIYPKI-LUXYFRNMSA-N 406.874 1.137 0 50 HDAA O=C([C@H]1CC(=O)N(c2nc3ccccc3s2)C1)N1C[C@H]2C[C@H](O)[C@H](O)C[C@H]2C1 1857731844 RBPSCSYRXJQCMO-ABNPOPBRSA-N 401.488 1.239 0 50 HDAA C[C@@H](Cn1cc(COCCN(C)C)nn1)NC(=O)c1ccnc2cc(F)cnc12 1875337715 CXFZJSWIQOKTIA-ZDUSSCGKSA-N 401.446 1.257 0 50 HDAA CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)c1csc(Cc2ccccc2)n1 1940198090 MPYBYTIONQAPRP-GJZGRUSLSA-N 409.533 1.370 0 50 HDAA CN1C[C@]23C=C[C@H](O2)[C@H](C(=O)N2CCCN(c4nc5ccccc5o4)CC2)[C@@H]3C1=O 2100480325 DMCWMHCOURWVFM-AYMMHLMVSA-N 408.458 1.278 0 50 HDAA O=C(c1ccccc1-c1nn[nH]n1)N1CCC[C@@]12CCCN([C@H]1CC[C@H](O)CC1)C2=O 2100540071 BXINVKXQIJVXGN-XCGNWRKASA-N 424.505 1.767 0 50 HDAA CC(C)(C)N1CC[C@](F)(C(=O)N2CCNC(=O)[C@H]2Cc2nc3ccccc3o2)C1 2325736001 ALZLGZCKCRVIPE-QVKFZJNVSA-N 402.470 1.910 0 50 HDAA CCOC(=O)[C@H](NC(=O)Cc1n[nH]c2c1CCCC2)[C@@H](O)c1ccc(OC)cc1 2325861123 GKKOKDMRZZEPOK-UXHICEINSA-N 401.463 1.621 0 50 HDAA Cc1csc(NC(=O)NCc2ccc3c(c2)C(=O)N([C@@H]2CCC(=O)NC2=O)C3)n1 2325886722 GLCVEGBUNFQRAS-CQSZACIVSA-N 413.459 1.534 0 50 HDAA CCc1cc(C(=O)NC[C@@H]2[C@@H](c3ccccc3)[C@]23CN(Cc2ncc[nH]2)C[C@H]3O)n[nH]1 2356168565 IZTYBRCKWZSIHX-HGPLWSSJSA-N 420.517 1.702 0 50 HDAA Cn1cc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc4c(c3)OCCO4)C2)cn1 2806817 UQAIWPLSWNQTOU-CYBMUJFWSA-N 406.464 1.231 0 50 HDAA CCOC(=O)[C@@H]1[C@@H](c2cccc(OC)c2OC)NC(=S)N[C@]1(O)C(F)(F)F 4269883 SDILKHRCSNPCIQ-FIXISWKDSA-N 408.398 1.653 0 50 HDAA O=C(N[C@H]1CCS(=O)(=O)C1)c1cccc(S(=O)(=O)N2CCCCCC2)c1 4304465 ILNCPLVDQAHMCG-HNNXBMFYSA-N 400.522 1.168 0 50 HDAA COc1cc(CNCCc2ccc(O)cc2)ccc1OC[C@H](O)CN1CCOCC1 12072322 JADBTMRSUPILAA-OAQYLSRUSA-N 416.518 1.805 0 50 HDAA COc1cccc(CN2CCC[C@]3(CCN(C(=O)CN4CCOC4=O)C3)C2)c1OC 12303189 RYOBVQAPIGONQB-QFIPXVFZSA-N 417.506 1.971 0 50 HDAA Cc1cc(C)n(CCN(C)C(=O)[C@H]2CCC(=O)N(CCCN3CCCC3=O)C2)n1 12431179 BFADJBSFGFOCAG-SFHVURJKSA-N 403.527 1.209 0 50 HDAA C[C@H]1CN(c2ccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)c3nonc23)C[C@@H](C)O1 17088542 OTIHHZRHNUFEGB-KPWCQOOUSA-N 410.496 1.634 0 50 HDAA CCN1CCN(C2CCN(c3nc4nonc4nc3N3CCSCC3)CC2)CC1 19337188 HBUGOTAWNXENNJ-UHFFFAOYSA-N 418.571 1.172 0 50 HDAA Cc1n[nH]c(C)c1CCN(C)C(=O)C[C@@H]1C(=O)NCCN1Cc1ccc(F)c(F)c1 23399559 LROBVXXWCSIMAV-LJQANCHMSA-N 419.476 1.696 0 50 HDAA Cc1ccc(CN2CCN(C(=O)C[C@@H]3C(=O)NCCN3Cc3ccoc3)CC2=O)cc1 55575349 RJJZORDSUIPHIX-HXUWFJFHSA-N 424.501 1.150 0 50 HDAA CC[C@H](NC(=O)[C@@H]1CCCN(S(C)(=O)=O)C1)c1ccc(S(C)(=O)=O)cc1 65362407 YTDMOLQTOVPOGK-ZBFHGGJFSA-N 402.538 1.329 0 50 HDAA CNC(=O)[C@@H](C)N(C)C(=O)c1coc(CN2CCN(c3ccccc3F)CC2)n1 67790325 BWEYMGMWOPCRHO-CQSZACIVSA-N 403.458 1.342 0 50 HDAA C[C@H](O)C(=O)N1CCc2ccc(S(=O)(=O)NCCOc3ccccc3)cc2C1 77287594 NQVLNBHZYUYJHF-HNNXBMFYSA-N 404.488 1.309 0 50 HDAA CC(=O)N[C@@H](C(=O)N1CCC2(CCC(=O)N(Cc3ccncc3)C2)CC1)C(C)C 91411254 ZBOPOYMJQQCVJB-HXUWFJFHSA-N 400.523 1.974 0 50 HDAA CN(C)S(=O)(=O)CCNC(=O)C[C@H](c1ccccc1)c1ccc2c(c1)OCO2 95500939 KFXIZQVVFFLTDX-QGZVFWFLSA-N 404.488 1.945 0 50 HDAA COCC(=O)N1CCC(Oc2ccc(C(=O)N(C)Cc3nc(C)no3)cc2)CC1 95521024 CNEKSPVIMAILKT-UHFFFAOYSA-N 402.451 1.666 0 50 HDAA CN1CC[C@@H](N2CCC(NC(=O)c3cccc(NC(=O)[C@H]4CCCO4)c3)CC2)C1=O 239762184 CLDUQPPFUHJNKE-RTBURBONSA-N 414.506 1.229 0 50 HDAA O=C(NC[C@@H]1CN(CC2CCN(CC3CC3)CC2)C(=O)CO1)c1ccccc1F 299772385 VPCXOVYORHZSNS-GOSISDBHSA-N 403.498 1.905 0 50 HDAA Cc1nc(C)c(C(=O)NC[C@H]2CN(CC3CCN(CC4CC4)CC3)C(=O)CO2)s1 299779822 LDIYOAVKRGHXHJ-SFHVURJKSA-N 420.579 1.839 0 50 HDAA Nc1nc2c(c(C(=O)N[C@H]3C4CN5CCN(C4)CC3(c3ccccc3)C5)n1)CCCC2 827587385 RXNCMFCWZPPTFP-DLQTWLKSSA-N 418.545 1.235 0 50 HDAA O=C(CN1CCN(c2ncccn2)CC1)N1CCCN(CCCc2ccccc2)CC1 1506420967 FEYUCTGSYWKCNS-UHFFFAOYSA-N 422.577 1.766 0 50 HDAA COc1cc(-c2onc(N(C)C)c2C(=O)NC[C@H]2CN(C)CCN2C)ccc1F 1704335329 DGEUKHDRBBFCCW-AWEZNQCLSA-N 405.474 1.531 0 50 HDAA COc1ccc([C@H](CC(=O)NCCCN(C)C)c2c(O)n3ccccc3nc2=O)cc1 1776111797 QNADMIRYSDFNSS-SFHVURJKSA-N 424.501 1.999 0 50 HDAA CCn1nncc1S(=O)(=O)N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O 1857527637 YUMZGSHTHGBBLI-LBPRGKRZSA-N 419.385 1.280 0 50 HDAA O=C(Cn1nc2n(c1=O)CCCCC2)N1CC[C@@](O)(Cc2ccc(Cl)cc2)C1 1857530652 VNTITXLQOYCECV-HXUWFJFHSA-N 404.898 1.631 0 50 HDAA NC1(C(=O)N2CCC(N3C[C@H](COc4ccc(F)cc4)OCC3=O)CC2)CCCC1 1857671357 GOZOCMFJLWLGFW-LJQANCHMSA-N 419.497 1.694 0 50 HDAA Cc1cc(CC(=O)N2CC[C@H]3[C@@H]2CC(=O)N3Cc2cn3nc(C)sc3n2)on1 1857694279 JDCDUBWEHFSPLH-GJZGRUSLSA-N 400.464 1.340 0 50 HDAA COC(=O)[C@@H]1COCCN(C(=O)C2CCN(c3nc4nc(C)ccc4o3)CC2)C1 1857738974 HEEOPPWTUJRRSH-HNNXBMFYSA-N 402.451 1.396 0 50 HDAA COc1cc(C(=O)Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)nc2)ccc1S(N)(=O)=O 1875359587 KAXUUSFSLUHFMS-CHWSQXEVSA-N 420.491 1.604 0 50 HDAA CC(C)c1noc(N2CCc3nc(C(=O)N4[C@H]5CC[C@@H]4C[C@H](O)C5)cn3CC2)n1 2100473619 MXHWDIKHXHVCSX-FICVDOATSA-N 400.483 1.580 0 50 HDAA COc1ccc([C@@H]2[C@@H](C(=O)NCCn3cnc(C)c3C)OCC(=O)N2C2CC2)cc1 2100557004 LUJDGDUGKNJGHQ-RTWAWAEBSA-N 412.490 1.756 0 50 HDAA O=C(Cc1cnn2c1CCCC2)N[C@H]1C[C@H](NC(=O)Cc2cnn3c2CCCC3)C1 2325816677 UYQUSUCTOBPXGO-IYARVYRRSA-N 410.522 1.301 0 50 HDAA CNc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@H](O)COc1ccc(Cl)cc1Cl 824776 DWTMWIBPJCOSPK-VIFPVBQESA-N 414.249 1.212 0 50 HDAA O=C(NC[C@H](O)c1ccccc1)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 1069943 MAKHGKHBGVIZCM-KRWDZBQOSA-N 424.906 1.824 0 50 HDAA O=C(c1cn(C[C@H]2COc3ccccc3O2)nn1)N1CCN(C2CCCC2)C(=O)C1 11872953 PHDFCVONWDHNHL-INIZCTEOSA-N 411.462 1.345 0 50 HDAA Cc1ccc(-c2ccnc(-n3ncc(C(=O)N4CCN(CCO)CC4)c3C3CC3)n2)o1 12025024 GNIYQWDUAUVPJM-UHFFFAOYSA-N 422.489 1.858 0 50 HDAA O=C(C[C@@H]1C(=O)NCCN1Cc1ccccc1)NCCCN1Cc2ccccc2C1 12437895 NDPPZUKBNUWBNC-JOCHJYFZSA-N 406.530 1.899 0 50 HDAA C[C@H]1CN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2CCc2ccccc2)C[C@@H](C)O1 12547472 NRABKRZVUACEST-IYBDPMFKSA-N 411.506 1.286 0 50 HDAA O=c1c(CN2CC[C@@H](N3CCN(c4ccccn4)CC3)[C@H](O)C2)coc2ccccc12 12708809 SPUOWEDRHKXABS-NHCUHLMSSA-N 420.513 1.945 0 50 HDAA COCCN1C(=O)N(CCCc2cccnc2)C(=O)C12CCN([C@@H](C)COC)CC2 14541277 JZQXAHDQGQIJTG-SFHVURJKSA-N 418.538 1.794 0 50 HDAA CN(Cc1cnccn1)Cc1cnc(S(=O)(=O)CC2CC2)n1C[C@@H]1CCCO1 15077282 USKAFTVBFOQMCV-SFHVURJKSA-N 405.524 1.668 0 50 HDAA O=C([C@H]1[C@@H]2C=C[C@@]3(CN(c4ccc(F)cc4)C(=O)[C@@H]13)O2)N1CCCn2cncc2C1 77342341 JMWSNMIASIOHTK-VWNVYAMZSA-N 408.433 1.741 0 50 HDAA O=C(NCc1ccccn1)[C@@H]1CCCN(C2CCN(C(=O)C3CCOCC3)CC2)C1 82127258 RKLQUHREELSHMW-LJQANCHMSA-N 414.550 1.827 0 50 HDAA CCn1ncnc1CNC(=O)c1cc(S(=O)(=O)NC2CC2)c(Cl)cc1Cl 225438131 SAEQIWKJSIRGNO-UHFFFAOYSA-N 418.306 1.976 0 50 HDAA NC(=O)COc1ccc(S(=O)(=O)N2CCC[C@@H](OCc3ccccn3)C2)cc1 952868732 SDFDIYZIBRLMRX-QGZVFWFLSA-N 405.476 1.316 0 50 HDAA Cc1noc(CN2CC3(CCN(CC(=O)Nc4ccccc4)CC3)OCCC2=O)n1 1704315583 KZZFLWWNLNJUSX-UHFFFAOYSA-N 413.478 1.600 0 50 HDAA CCC(=O)N[C@]1(C)CCOC2(CCN(Cc3nc(-c4ccco4)no3)CC2)[C@H]1O 1772710535 SHBMYODOZZUPEF-RBUKOAKNSA-N 404.467 1.730 0 50 HDAA CCN1CC[C@@H]2C[C@@H](N3CCOCC3)CC[C@@]2(C(=O)NCCCn2cccn2)C1 1857682609 XHGLXCRHNQZOHU-RZUBCFFCSA-N 403.571 1.602 0 50 HDAA CS(=O)(=O)c1cccc(C(=O)N2CCC3(CCc4c(O)nc(=N)[nH]c43)CC2)c1 1857717734 VSGHHRMGLAMWJT-UHFFFAOYSA-N 402.476 1.118 0 50 HDAA CNC(=O)Cc1nc(C2CCN(c3nc4nc(C)ccc4o3)CC2)n(CCOC)n1 1857737730 AAKCHLMPVKTJGX-UHFFFAOYSA-N 413.482 1.442 0 50 HDAA COc1ccccc1CNC(=O)[C@H]1CC[C@@H](NC(=O)c2cn(C)nc2C)[C@H](O)C1 1875244364 RGTJIYWBSFKSLQ-BMGDILEWSA-N 400.479 1.313 0 50 HDAA CN1CCCN(C[C@@H]2OCCN(C(=O)CC3CCCC3)[C@H]2c2cnn(C)c2)CC1 1875251315 XPSLLLXRJDMONZ-UNMCSNQZSA-N 403.571 1.906 0 50 HDAA CCSC[C@H](C)c1cn(-c2ccc3c(c2)CN([C@H]2CCC(=O)NC2=O)C3=O)nn1 1875355424 KDVOZQXANDMICK-SJCJKPOMSA-N 413.503 1.885 0 50 HDAA CNc1ccccc1C(=O)N1CC[C@@H](NC(=O)c2cc(=O)n(-c3ccccc3)[nH]2)C1 2325872975 UBBDZGXWZGLTFM-OAHLLOKOSA-N 405.458 1.852 0 50 HDAA Nc1cncc(-c2ccc(C(=O)NC[C@H](c3cccnc3)N3CCOCC3)cc2)n1 2356168117 QHVCTYSDVFBCAY-HXUWFJFHSA-N 404.474 1.924 0 50 HDAA CC(C)[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1C(=O)c2ccccc2C1=O 1131510 WSAQAEFQZWIQRW-INIZCTEOSA-N 401.444 1.593 0 50 HDAA Cc1ccc(-c2nn(C)c(=O)c3ccccc23)cc1S(=O)(=O)NCCN(C)C 2368602 XXIDKWFVXLRFGX-UHFFFAOYSA-N 400.504 1.749 0 50 HDAA Cc1cc(S(=O)(=O)NCc2ccccc2)ccc1OCC(=O)N1CCOCC1 2875900 FAWXGTBXZFBOQE-UHFFFAOYSA-N 404.488 1.711 0 50 HDAA CN(C)S(=O)(=O)N1CCC(Oc2cccc(C(=O)N3CCSCC3)c2)CC1 12715116 QQUBTKMOGLYIMS-UHFFFAOYSA-N 413.565 1.525 0 50 HDAA Cn1nc(C(=O)N2CCCCCC2)c2c1CC[C@@H](NCCCN1CCOCC1)C2 14746147 HENDMWDLPVRCOE-GOSISDBHSA-N 403.571 1.606 0 50 HDAA Cc1cccc(C(=O)N2CCC(N3CCC[C@@H](C(=O)N4CCOCC4)C3)CC2)n1 71747060 QAORFJRYRKBPCG-GOSISDBHSA-N 400.523 1.565 0 50 HDAA Cc1ccc(N2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N3CCc5n[nH]cc5C3)[C@@H]4C2=O)cc1C 77355313 AKSAOVNAOFSKJN-VAWZGJIGSA-N 404.470 1.898 0 50 HDAA COCC(=O)N1CCc2ccc(S(=O)(=O)NCCOc3ccccc3)cc2C1 77406503 LIUKOZVHUSXXBO-UHFFFAOYSA-N 404.488 1.575 0 50 HDAA CCOC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)OCC)[C@@H]1c1ccc(O)c(OCC)c1 169694421 ZVPURIHDZWQVOT-IKVWTGGYSA-N 408.447 1.957 0 50 HDAA COc1cccc([C@@H]2C[C@H](O)CN2C(=O)CCN2C(=O)[C@@H]3CCCC[C@H]3C2=O)c1 328589404 QLFUTNLKCGQYQJ-AITUJVMLSA-N 400.475 1.895 0 50 HDAA Cc1ccc(C(=O)N[C@H](C(=O)N[C@H]2CCN([C@@H](C(=O)O)C(C)C)C2=O)C(C)C)cc1 479006051 JMFDFUWGNWQBKV-OKZBNKHCSA-N 417.506 1.576 0 50 HDAA Cc1nnnn1-c1cccc(NC(=O)C[C@@H]2C(=O)NCCN2Cc2ccc(F)cc2)c1 952988070 NASYFLOCUZFTNA-LJQANCHMSA-N 423.452 1.439 0 50 HDAA COc1ccccc1CN1C[C@H](C(=O)Nc2nnc(CCN(C)C)s2)CC1=O 1506398261 ATRJZJKCWYZJQP-CQSZACIVSA-N 403.508 1.638 0 50 HDAA COc1ccc(S(=O)(=O)N2CC[C@@]3(O)CCN(C(C)=O)C[C@H]3C2)cc1Cl 1506407441 JAAZURDYWKLZBZ-GUYCJALGSA-N 402.900 1.343 0 50 HDAA Cc1ncsc1CN1C[C@H]2CN(C(=O)c3cnn4ccn(C)c34)C[C@]2(CO)C1 1772816468 MTBQOBWUOOYKIH-LIRRHRJNSA-N 400.508 1.004 0 50 HDAA O=C1Cn2cnc3c2[C@H](c2cccc(c2)OCCCN1)N(C(=O)c1ccccn1)CC3 1775980210 URRLHOJIHMASSX-NRFANRHFSA-N 417.469 1.965 0 50 HDAA O=C1CO[C@H](COc2ccc(F)cc2)CN1C1CCN(C[C@@H]2[C@H]3CNC[C@H]32)CC1 1857678232 JDBPGSHMERMMKD-UWHLTILDSA-N 403.498 1.362 0 50 HDAA CO[C@@H]1CC[C@H](C(=O)NCCc2cnc[nH]2)C[C@H]1NC(=O)c1cncc(Cl)c1 1857693381 UTASUVSFGVCCPO-JCURWCKSSA-N 405.886 1.731 0 50 HDAA Cc1[nH]nc(C(=O)NC[C@@H]2CCN(C(=O)c3cc4n(n3)CCCC4)C[C@H]2C)c1O 2325824065 NWBROAKZFOZVFG-OCCSQVGLSA-N 400.483 1.485 0 50 HDAA Nc1nc(CSc2nnnn2-c2ccc(Cl)cc2)nc(N2CCOCC2)n1 1066776 TUVXQWORBRIQRJ-UHFFFAOYSA-N 405.875 1.212 0 50 HDAA CCc1nnc(NC(=O)CSc2nnc(Cc3cccn3C)n2CCOC)s1 2713869 JVSZOMDIBSLUTN-UHFFFAOYSA-N 421.552 1.999 0 50 HDAA CCOC(=O)C1=C(CSc2nnnn2C)N(CC)C(=O)N[C@@H]1c1ccccc1 2732749 CROYSYUPXVGDPA-OAHLLOKOSA-N 402.480 1.906 0 50 HDAA CC(C)N(Cc1nccn1C)C(=O)C[C@H]1C(=O)NCCN1Cc1ccc(F)cc1 11663133 SKUQKZOVRROFNC-SFHVURJKSA-N 401.486 1.687 0 50 HDAA COc1cccc(CN2CCNC(=O)[C@@H]2CC(=O)N(C)Cc2ccno2)c1OC 12703705 AJSWAHMRGFNNJN-INIZCTEOSA-N 402.451 1.041 0 50 HDAA CCOC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OCC)[C@@H]1c1ccc(OC)c(OC)c1 13577222 SSFQCYJOBBZRIP-WIRSXHRWSA-N 408.447 1.870 0 50 HDAA COc1ccc(C[C@@H]2NC(=O)[C@@H]3C[C@H](NCc4cccc(OC)c4)CN3C2=O)cc1 14732985 OGIYBXQQTPHEPH-YYWHXJBOSA-N 409.486 1.504 0 50 HDAA COc1ccccc1CN1CCc2nnc([C@@H](C)NC(=O)C3CCOCC3)n2CC1 14883613 OPNLLMKCRNPEMB-MRXNPFEDSA-N 413.522 1.949 0 50 HDAA O=C(C[C@@H]1C(=O)NCCN1CCc1ccccc1)NCCCn1ncc2ccccc21 15073428 YVVUYCCOAJMIHS-JOCHJYFZSA-N 419.529 1.976 0 50 HDAA COC(=O)c1ccc(CN2CCc3nnc(CCNC(=O)c4ccco4)n3CC2)cc1 19743705 FRDQCGBKUYGKBM-UHFFFAOYSA-N 423.473 1.689 0 50 HDAA CCCCN(CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 100101904 KUNSAAKSJPPWOQ-KKVRMWHZSA-N 423.513 1.618 0 50 HDAA CC[C@H](C)N1C(=O)[C@@H]2[C@H]([C@@H](C)O)N[C@@]3(C(=O)Nc4c3ccc(Cl)c4C)[C@@H]2C1=O 252383366 OWTVRJFUUJRVCS-UHHQRRBQSA-N 405.882 1.548 0 50 HDAA C[C@@H]1CN(C(=O)c2ncccc2OCC(F)(F)F)C[C@H]1C(=O)N1CCOCC1 328592413 JAQNQSSLMNYJIR-CHWSQXEVSA-N 401.385 1.590 0 50 HDAA Cc1cc(C)nc(N2CCC(C(=O)N3CCN(S(=O)(=O)C(C)C)CC3)CC2)n1 888090560 IKOXLFQXRMRMQN-UHFFFAOYSA-N 409.556 1.192 0 50 HDAA C[C@]1(c2ccc(C(=O)NCc3ccc(CN4CCNC4=O)cc3)cc2)NC(=O)NC1=O 1454776101 MOPXIHOXOIFBSI-JOCHJYFZSA-N 421.457 1.196 0 50 HDAA Cc1noc(-c2ccc(S(=O)(=O)N3CCC[C@H]3C(=O)N3CCOCC3)o2)c1C 1506422071 OJMLQCZLFOOERI-AWEZNQCLSA-N 409.464 1.563 0 50 HDAA O=C(NCc1nc2ncccc2o1)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 1857675657 GMHZWZXUCFNHAU-AWEZNQCLSA-N 404.423 1.831 0 50 HDAA Cc1csc(S(=O)(=O)Nc2cccc3c2CN([C@@H]2CCC(=O)NC2=O)C3=O)c1 2325895954 NGKDFKHPCKLICV-CQSZACIVSA-N 419.484 1.618 0 50 HDAA O=C1N[C@H](c2ccc(C(=O)O)cc2)[C@H](C(=O)c2cccnc2)[C@](O)(C(F)(F)F)N1 1156979 STPNFWCLOASSPC-XNJGSVPQSA-N 409.320 1.884 0 50 HDAA CCn1cc(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3cn(CC)nc3C)C2)c(C)n1 2806936 QUFWWEPUWAKXSU-INIZCTEOSA-N 422.555 1.453 0 50 HDAA CCn1c(CC(=O)Nc2ccccc2F)nnc1SCC(=O)N1CCOCC1 6702140 HHJIZGVRAICHQL-UHFFFAOYSA-N 407.471 1.569 0 50 HDAA COc1ccc(C(=O)N2C[C@H](O)[C@@H](N(C)Cc3nc(-c4cccnc4)no3)C2)cc1 12049755 ONVYKWUYKUHVSR-ROUUACIJSA-N 409.446 1.458 0 50 HDAA CC[C@H](C(=O)NCCN1CCOCC1)N(c1cccc(Cl)c1)S(C)(=O)=O 13712811 HPXMQFXVFLJLOE-MRXNPFEDSA-N 403.932 1.333 0 50 HDAA O=C1c2cccc(N3CCN([C@H]4CCSC4)CC3)c2C(=O)N1CCn1cccn1 59322732 CIJXMPSPZVHUIA-INIZCTEOSA-N 411.531 1.807 0 50 HDAA Cc1cc(C)n(-c2cc(N3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)ncn2)n1 65362436 BOJYIZRECWHOES-UHFFFAOYSA-N 416.482 1.929 0 50 HDAA CN(Cc1nccn1C)C(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(Cc4ccc(F)cc4)C(=O)[C@H]13)O2 77506209 KHNRSKYYGMVUJW-ZBPHCFQXSA-N 410.449 1.500 0 50 HDAA O=C(CC[C@@H]1CCCN(C(=O)c2cnc[nH]c2=O)C1)NCc1ccc(F)c(F)c1 95501683 OGNMEMJYJUMXJK-ZDUSSCGKSA-N 404.417 1.997 0 50 HDAA C[C@H](O)CN(C(=O)Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)[C@@H](C)CO 225516539 OGBJZCUYUNUGDS-GJZGRUSLSA-N 424.494 1.759 0 50 HDAA CCN(CCO)C(=O)C[C@@]1(c2ccccc2C)CC(=O)N(Cc2ccncc2)C1=O 299759545 UNAYUSGPXCDRDL-QHCPKHFHSA-N 409.486 1.818 0 50 HDAA COC(=O)[C@H](O)C1CCN(C(=O)[C@H](Cc2c[nH]c3cc(F)ccc23)NC(C)=O)CC1 438197801 BZPFKSQZDCBEQW-RBUKOAKNSA-N 419.453 1.127 0 50 HDAA CC1CCC(N2C[C@@H](C(=O)Nc3ccc4c(c3)S(=O)(=O)CC(=O)N4)CC2=O)CC1 1462581899 MUKNPFKISIYNBA-OWYJLGKBSA-N 419.503 1.778 0 50 HDAA COc1cc(CN2C[C@@H](O)[C@H](Cc3cc(C)[nH]n3)C2)cc(Cl)c1OCC(N)=O 1529189821 ZHSZJHJNUUFBFN-CZUORRHYSA-N 408.886 1.280 0 50 HDAA CCOC(=O)N1CCC(N[C@@H]2C[C@@H](C(=O)NCc3ccccn3)CC[C@H]2O)CC1 1857683556 JJXAMJCUOIZUQB-KFKAGJAMSA-N 404.511 1.438 0 50 HDAA CN(Cc1nnnn1CC1CC1)[C@@H]1CCCC[C@H]1N(C)Cc1nnnn1CC1CC1 2325737705 IEWFTOWTIXRUBP-QZTJIDSGSA-N 414.562 1.355 0 50 HDAA C[C@@](O)(CN1Cc2ccccc2C1=O)C(=O)NCC(=O)Nc1cnc2ccccc2c1 2325745105 TZGXOEQJQLNPCV-HSZRJFAPSA-N 418.453 1.697 0 50 HDAA CCc1onc(C)c1C(=O)NC[C@H]1[C@@H]2CN(C(=O)[C@@H]3CCC[C@@H](C(N)=O)C3)C[C@H]12 2325823576 XZERENSYSZCJNN-QCODTGAPSA-N 402.495 1.271 0 50 HDAA COc1ccc(N2CCCCS2(=O)=O)cc1S(=O)(=O)NCc1ccco1 12004592 VSYHIHBSRXMUAO-UHFFFAOYSA-N 400.478 1.697 0 50 HDAA CN(Cc1ccc2nonc2c1)C(=O)[C@H]1CCC(=O)N(CCCN2CCCC2=O)C1 12076839 KHSRBLLKFSEGQQ-INIZCTEOSA-N 413.478 1.432 0 50 HDAA COc1cc(CNCc2nccn2C)ccc1OC[C@@H](O)CN1CCSCC1 12303134 HVPLVSPGNOUZPT-KRWDZBQOSA-N 406.552 1.507 0 50 HDAA O=C1N[C@@H](CSCc2ccccc2)C(=O)N2CCN(C(=O)c3cccs3)C[C@H]12 14746761 VNXMKNZRNPCVBM-JKSUJKDBSA-N 415.540 1.833 0 50 HDAA NC(=O)NS(=O)(=O)c1ccc(NC(=S)NC(=O)/C=C/c2ccc(F)cc2)cc1 15636994 CRDLCZREOSDZJO-XCVCLJGOSA-N 422.463 1.709 0 50 HDAA Cc1cccnc1CN1CCN(C(=O)C[C@H]2C(=O)NCCN2CCC(C)C)CC1 19229234 QXFTVNWZGONEIE-FQEVSTJZSA-N 401.555 1.271 0 50 HDAA Cc1n[nH]c(SCCNC(=O)C[C@H]2C(=O)NCCN2C/C=C/c2ccccc2)n1 19840133 IHDMQDRUWWYZIP-JZLODUJNSA-N 414.535 1.225 0 50 HDAA CCN(CC)CCN(C)Cc1ccc(OC)c(OC[C@H](O)CN2CCN(C)CC2)c1 20406945 SQHSSJNZBOOMKJ-OAQYLSRUSA-N 422.614 1.456 0 50 HDAA CC(C)N1CCC(NC(=O)c2cc(C(=O)NC3CCN(C(C)C)CC3)n(C)n2)CC1 20617749 CXWLNQVASXJFEZ-UHFFFAOYSA-N 418.586 1.625 0 50 HDAA CC[C@@H](OC)C(=O)N1CCc2cc(S(=O)(=O)NCc3cc(C)on3)ccc2C1 77438301 AGAGJOHKXTVCCH-GOSISDBHSA-N 407.492 1.771 0 50 HDAA CC(C)n1c([C@H]2CCCN(S(=O)(=O)N3CCN(C=O)CC3)C2)nc2ccccc21 225673870 DKFDTFRRLBZKBE-KRWDZBQOSA-N 419.551 1.815 0 50 HDAA COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NC[C@H]3CCCO3)C2)cc1OC 239203387 SGUPMAUTKYHATF-HUUCEWRRSA-N 412.508 1.400 0 50 HDAA CN(C)c1ccnc(NC[C@H]2CN(CC3CCN(CC4CC4)CC3)C(=O)CO2)n1 299801054 YBSIHWKGFKQUSX-SFHVURJKSA-N 402.543 1.304 0 50 HDAA COCCN(C)c1cnn([C@H]2CCCN(C(=O)c3cccc4c[nH]nc34)C2)c(=O)c1 328603366 FXCKPQGRRBGQTO-INIZCTEOSA-N 410.478 1.680 0 50 HDAA NC(=O)c1cccnc1N1CCN(S(=O)(=O)c2cc(-c3ccno3)cs2)CC1 952989867 YPELJGGRYKNQRP-UHFFFAOYSA-N 419.488 1.408 0 50 HDAA C[C@@]1(c2cccc(CNC(=O)[C@@H]3CC(c4cccc(F)c4)=NO3)c2)NC(=O)NC1=O 1318283779 ABSCZNRNSBLNTB-UWJYYQICSA-N 410.405 1.690 0 50 HDAA Cc1nonc1OCCN1C(=O)C[C@H]2[C@@H]1CCN2C(=O)CCn1nc(C)c(C)c1C 1800413419 GXBRKWIVHCKXIX-IRXDYDNUSA-N 416.482 1.171 0 50 HDAA Cc1c[nH]c(=N)nc1N1CCC(N2C[C@@H](COc3ccc(F)cc3)OCC2=O)CC1 1857674249 ZUFMTCZWGSAAAM-SFHVURJKSA-N 415.469 1.612 0 50 HDAA COC(=O)c1cc(C(=O)OC)n(CCN2CCN(c3ccc(F)cn3)[C@@H](C)C2)n1 1857705885 ZJFNQDXURXYKDU-ZDUSSCGKSA-N 405.430 1.201 0 50 HDAA CC(C)NC(=O)[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CCN(C(=O)c1cn(C)cn1)C2 1857710731 MLBPOQXSHNYEIA-JBYIUTFZSA-N 417.554 1.278 0 50 HDAA CS(=O)(=O)NCCNC(=O)C[C@@H]1CCCN(c2nc3ccc(Cl)cc3o2)C1 1857712169 MIIVARIKOYYHJW-LBPRGKRZSA-N 414.915 1.753 0 50 HDAA O=C1CC[C@H](N2Cc3ccc(CNC(=O)O[C@H]4CCCC[C@@H]4F)cc3C2=O)C(=O)N1 2325886797 JOJRLZFAQLTKCD-ULQDDVLXSA-N 417.437 1.955 0 50 HDAA O=C1CC[C@@H](N2Cc3cc(NS(=O)(=O)c4ccsc4)ccc3C2=O)C(=O)N1 2325896710 DUCHYOJAWPEYON-CQSZACIVSA-N 405.457 1.310 0 50 HDAA CCn1c(=O)c2cc(OC)c(OC)cc2n(CC(=O)Nc2ccc(OC)cc2)c1=O 9935522 VDKJSUYQWLVXJY-UHFFFAOYSA-N 413.430 1.848 0 50 HDAA COc1cc(CN(C)Cc2cn(C)nc2C)ccc1OC[C@@H](O)CN1CCOCC1 12385528 VKYRLZPZNNDLOZ-FQEVSTJZSA-N 418.538 1.441 0 50 HDAA C[C@@H](OCc1ccccc1)[C@@H]1NC(=O)[C@H]2CN(C(=O)c3ccccc3)CCN2C1=O 14540463 PAWNDFNTJQLUKU-AHRSYUTCSA-N 407.470 1.443 0 50 HDAA COc1cccc(N2CCN(Cc3cnc(S(C)(=O)=O)n3CC(C)C)CC2=O)c1 55270038 IDPHRXCNEVGQAX-UHFFFAOYSA-N 420.535 1.800 0 50 HDAA Cn1c(CCC(=O)N[C@H]2CCOC2)nc2cc(S(=O)(=O)N3CCCC3)ccc21 77453162 FPMWOVCMGYUMMF-AWEZNQCLSA-N 406.508 1.196 0 50 HDAA COc1ccc(S(=O)(=O)NC[C@H]2CC[C@H](C(=O)N3CCC(O)CC3)CC2)cc1 245256353 PKRNRTUZPWEFBN-WKILWMFISA-N 410.536 1.763 0 50 HDAA COC(=O)[C@@H](C)NC(=O)CCC(=O)N1CCN(c2nsc3ccccc23)CC1 252492055 MBPFIEROHMZANP-CYBMUJFWSA-N 404.492 1.403 0 50 HDAA CNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CC[C@H]1NC(=O)N(c2ccccc2)C1=O 409415041 RWRFPYOBHXNKLK-MOPGFXCFSA-N 420.469 1.591 0 50 HDAA Cc1noc(C)c1CN1CCc2c(C(=O)N3C[C@H](O)[C@@H](N(C)C)C3)csc2C1 426544386 MWBIGBQKFCUMTL-ROUUACIJSA-N 404.536 1.658 0 50 HDAA C[C@H]1CN(c2ccc(NC(=O)c3ccc(NS(C)(=O)=O)nc3)cn2)C[C@H](C)O1 1459582295 DCHMTBBJXSHNND-STQMWFEESA-N 405.480 1.714 0 50 HDAA CC(=O)N1CCC[C@H]1C(=O)NCC1CCN(c2cccc(C(=O)N(C)C)n2)CC1 1506405218 VISYSRBZEGSNTA-SFHVURJKSA-N 401.511 1.127 0 50 HDAA COCCOC1CCN(C(=O)[C@H]2OCC(=O)N(C3CC3)[C@@H]2c2cccnc2)CC1 1529197405 QAYNQKYDPWKWHV-UXHICEINSA-N 403.479 1.167 0 50 HDAA CCOC(=O)N1CCC(N2CC[C@H](O)[C@H](NC(=O)Cc3cccc(F)c3)C2)CC1 1857701141 NCSHBKJCLVFAKW-MOPGFXCFSA-N 407.486 1.541 0 50 HDAA CN(C)CCNC(=O)C[C@H](c1ccc2c(c1)OCO2)c1c(O)nc2ccccn2c1=O 2049513349 CSMCZMNUYBMVKV-OAHLLOKOSA-N 424.457 1.329 0 50 HDAA O=C(C(=O)N1CCC(F)(F)[C@@]2(CCOC2)C1)N1CCC(F)(F)[C@@]2(CCOC2)C1 2325816875 IREMKAUAGMUBBH-HOTGVXAUSA-N 408.392 1.535 0 50 HDAA Cc1c(C(=O)NC2CN(C(=O)COC[C@H]3CCCOC3)C2)cnn1[C@H](C)C(C)C 2325827476 HKOAESQTWZBRMO-WBVHZDCISA-N 406.527 1.792 0 50 HDAA COc1cc(S(=O)(=O)NC(=O)[C@H]2CC[C@@]3(CCOC3)O2)ccc1Br 2325829466 KQMXBHZQRVQSES-DOMZBBRYSA-N 420.281 1.601 0 50 HDAA O=C(Nc1cnn(Cc2nnc3n2CCC3)c1)N[C@H](c1ccccc1)c1nc[nH]n1 2325854187 RIVKRWCRICIVPO-QGZVFWFLSA-N 404.438 1.498 0 50 HDAA O=C(CCn1c(O)nc2ccccc21)N1CCc2nc(-c3cccnc3)nn2CC1 2356149348 WHEYCBONDTVSEZ-UHFFFAOYSA-N 403.446 1.870 0 50 HDAA COc1ccccc1NC(=O)COc1ccc(/C=c2/sc3n(c2=O)CCN=3)cc1 979069 PAQISHJOVJXUJU-LDADJPATSA-N 409.467 1.398 0 50 HDAA CCN(CC)C(=O)C1CCN(S(=O)(=O)c2ccc([C@@H]3CNC(=O)C3)cc2)CC1 1444266 ZVDOBXMNWGTMPK-KRWDZBQOSA-N 407.536 1.559 0 50 HDAA COC(=O)c1cn([C@H]2C[C@@H](C(=O)NCCc3ccc(F)cc3)N(C(C)C)C2)nn1 14962579 GSDXFOSAKXYQJD-WMZOPIPTSA-N 403.458 1.587 0 50 HDAA COC(=O)c1cc(C)nc2c1c(=O)n(CC(=O)Nc1cccc(Cl)c1)c(=O)n2C 20345056 XLPCYXPOKIIKLS-UHFFFAOYSA-N 416.821 1.482 0 50 HDAA O=C(C[C@H]1C(=O)NCCN1Cc1cccc(C(F)(F)F)c1)NCCc1cnccn1 55183430 YFTFCKAHGDMKJC-KRWDZBQOSA-N 421.423 1.545 0 50 HDAA CCOC(=O)/C=C/c1ccc(S(=O)(=O)NN2C(=O)NC3(CCCCC3)C2=O)cc1 170610572 HQRVOGCPRIRANQ-DHZHZOJOSA-N 421.475 1.711 0 50 HDAA CC(C)[C@H](NS(=O)(=O)c1cccc(Cl)c1)C(=O)NCC1(S(C)(=O)=O)CC1 225428515 HMFSBODSLXRHLN-AWEZNQCLSA-N 422.956 1.336 0 50 HDAA COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1C(=O)Nc1ccnn1[C@H]1CCS(=O)(=O)C1 328605492 OAPZEMDACSJIGD-GQWAEJPESA-N 417.487 1.930 0 50 HDAA COCCn1cnnc1[C@@H](C)NC(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O 670439964 MAUFAEQOJMZNDY-SECBINFHSA-N 407.780 1.636 0 50 HDAA O=C1CCCCN1CC(=O)N1CCO[C@@H](CN2CCC(O)CC2)[C@@H]1c1ccccc1 1857715177 FZLUPKMPQWPNPX-REWPJTCUSA-N 415.534 1.424 0 50 HDAA Cc1ncc(-c2nccn2C[C@@H]2CN(CC3CCN(CC4CC4)CC3)C(=O)CO2)cn1 1857729535 OWWOHBAVZUMBFL-OAQYLSRUSA-N 424.549 1.998 0 50 HDAA Cc1ncc(-c2ccc(C)c(S(=O)(=O)N3CC[C@@]45OCCN4C(=O)C[C@@H]35)c2)o1 1857729622 DRRMEHAPRBEJHP-MJGOQNOKSA-N 403.460 1.680 0 50 HDAA Cc1cc(-c2cn(-c3cccc4c3CN([C@H]3CCC(=O)NC3=O)C4=O)nn2)ccc1N 1875355909 GREKZCWCVGTRBS-IBGZPJMESA-N 416.441 1.586 0 50 HDAA O=C(CCc1n[nH]c2c1CCCC2)N1CC[C@]2(C1)C(=O)N(CCO)c1ccccc12 2100473300 JLRQNVCCSFYQEV-HSZRJFAPSA-N 408.502 1.730 0 50 HDAA CCN1C[C@H](C(=O)N2CCCC[C@H](NC(=O)c3ccc(N)cc3F)C2)CCC1=O 2325864763 ZFEYCSMGIHNHFB-ZBFHGGJFSA-N 404.486 1.777 0 50 HDAA CC[C@H](C)Nc1nc2c(c(=O)n(C)c(=O)n2C)n1C[C@H](O)COc1ccccc1C 637530 DIFHZGTWAAQLEQ-GJZGRUSLSA-N 415.494 1.392 0 50 HDAA COc1cc(Br)cc2cc(C(=O)N3CCN(CCO)CC3)c(=O)oc12 19620104 YPQQPVQSDGCCSD-UHFFFAOYSA-N 411.252 1.314 0 50 HDAA CCS(=O)(=O)c1ncc(CN2CCC[C@@H](C(=O)c3nccn3C)C2)n1CCOC 23130067 RCIGDQXNCQLJOU-OAHLLOKOSA-N 423.539 1.152 0 50 HDAA CC(C)c1nnc2ccc(N3CCC[C@@H](C(=O)NCCCN4CCOCC4)C3)nn12 31807893 BSYNTRSSKZPBGA-QGZVFWFLSA-N 415.542 1.303 0 50 HDAA Cc1ncn(-c2cc(N3CCN(C(=O)c4ccc5c(c4)OCO5)CC3)ncn2)c1C 72441478 WYIZFAWAOZMELW-UHFFFAOYSA-N 406.446 1.970 0 50 HDAA Nc1cc(N2CCC(N3CCC[C@H](C(=O)NCc4ccccn4)C3)CC2)nc(N)n1 82166309 ZEKPQOPSAWKSRP-HNNXBMFYSA-N 410.526 1.033 0 50 HDAA Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C(=O)O)CC2)c1 136302508 UTLUUMFZLMVQSL-PBWTXFEYSA-N 420.531 1.883 0 50 HDAA COc1ccc([C@H](CC(=O)NCCO)c2c(O)cc(C)oc2=O)c(OC)c1OC 253414056 WIHWITFYEPQNPV-ZDUSSCGKSA-N 407.419 1.310 0 50 HDAA biogenic COc1cc2nc(N3CCN(c4ncccc4C(N)=O)CC3)nc(N)c2cc1OC 486921004 PZXDGPMIHJXBSX-UHFFFAOYSA-N 409.450 1.050 0 50 HDAA Cc1nn(C)c(C)c1NC(=O)C(=O)N1CCC[C@H](c2nnc(S)n2C2CC2)C1 784761395 TXXOJIJUNGAKRO-LBPRGKRZSA-N 403.512 1.597 0 50 HDAA CS(=O)(=O)N1CCO[C@@H](CNC(=O)c2ccc(CSc3ccccn3)cc2)C1 952984876 OKEWRWXUARDRJW-KRWDZBQOSA-N 421.544 1.764 0 50 HDAA Cc1noc2nc3c(c(C(=O)N4CCN(c5ncccc5C(N)=O)CC4)c12)CCC3 952988914 FFNCPOCVSCDHNY-UHFFFAOYSA-N 406.446 1.476 0 50 HDAA CCC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1NC1CCN(c2ccc(F)c(F)c2)CC1 1775984024 XWCQWPZFZDRQOV-IAGOWNOFSA-N 401.479 1.215 0 50 HDAA Cn1ccn2ncc(C(=O)N3CCO[C@@H](CN4CCC(O)CC4)[C@@H]3c3ccccc3)c12 1857717394 NPAYABBDOAXJDP-SFTDATJTSA-N 423.517 1.712 0 50 HDAA CC(=O)N1CC(=O)N2[C@@H](C[C@H](C(=O)NCc3cccc(C)n3)[C@@H]2c2ccccc2)C1 1857727310 PRKMEDRAUQJGLJ-ONTIZHBOSA-N 406.486 1.827 0 50 HDAA O=C(c1cccc(-n2cnnc2)n1)N1CC[C@@]23O[C@H](c4ccccc4)CN2C(=O)C[C@@H]13 1857730456 SMMDNOHIRKCJKO-SVMVAKDDSA-N 416.441 1.577 0 50 HDAA CCNC(=O)C[S@](=O)c1cccc(NC(=O)Cn2c(O)nc3ccccc32)c1 2325705113 PWENQLGSDSLEPQ-NDEPHWFRSA-N 400.460 1.624 0 50 HDAA O=C1Nc2nc3ccccc3n2C[C@@H]1CC(=O)N1CCN(C(=O)c2ccoc2)CC1 2325826947 QQZSEYZNQNRDFM-HNNXBMFYSA-N 407.430 1.572 0 50 HDAA COc1cc2c(cc1OC)CN(C1CCN(C(=O)[C@@H]3CN(C)CC[C@H]3O)CC1)CC2 2356146900 ZJVFTQQNRQKMTN-WOJBJXKFSA-N 417.550 1.366 0 50 HDAA O=C1NCCN(C2CCCC2)[C@H]1CC(=O)N1CCN(C(=O)c2cccs2)CC1 11818303 OWAIQCWDBMIJBO-INIZCTEOSA-N 404.536 1.166 0 50 HDAA CCOCCCNC(=O)CC[C@H]1CN(Cc2ccccn2)CC[C@H]1N1CCOCC1 14981486 CWXZGMBHBIIWAQ-RBBKRZOGSA-N 418.582 1.927 0 50 HDAA Cc1cccc(N2CCN(C(=O)Cn3nnnc3CN3CCC(C)CC3)CC2)c1C 15076208 CQOUIQAQIYYOQI-UHFFFAOYSA-N 411.554 1.871 0 50 HDAA Cc1ccc(NC(=O)C(=O)NCCN2CCN(C(=O)c3cccc(C)c3)CC2)cc1 19774597 KQLIWZQCHQMUJS-UHFFFAOYSA-N 408.502 1.816 0 50 HDAA CCN1CCN(C[C@@H](O)COc2cccc(CN(C)Cc3nc(C)no3)c2)CC1 95528162 AZWBCLSVCLMKQI-LJQANCHMSA-N 403.527 1.387 0 50 HDAA COc1cccc(C(=O)COC(=O)[C@H](C)N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@@H]45)[C@H]3C2=O)c1 239433109 XFJYMHJSTYWZOL-NEFICINASA-N 409.438 1.863 0 50 HDAA Cc1nnnn1-c1cc(NC(=O)N[C@@H]2CS(=O)(=O)c3ccccc32)ccc1F 439396444 NZNMHURKIVOWDK-CQSZACIVSA-N 402.411 1.760 0 50 HDAA C[C@H](CNC(=O)N1CCN([C@H](C)C(=O)N2CCOCC2)CC1)c1ccc(F)cc1F 466420019 VFABGTQAPURYCU-HZPDHXFCSA-N 424.492 1.643 0 50 HDAA O=C(Cc1ccccc1O)NC[C@@H]1CN(CC2CCN(CC3CC3)CC2)C(=O)CO1 1857697851 OYBPLMAEDHMTRQ-HXUWFJFHSA-N 415.534 1.400 0 50 HDAA CCC(=O)N1CC[C@@H]2C[C@@H](N3CCOCC3)CC[C@@]2(C(=O)NCCc2ncc[nH]2)C1 1857698308 KWBNKJGCCMJBSE-KGVIQGDOSA-N 417.554 1.198 0 50 HDAA Cc1ccc2nc(C)c(C)c(C(=O)N3C[C@H](O)[C@H](CS(=O)(=O)N(C)C)C3)c2c1 1875244730 RIFKBZUOENGPQI-YJBOKZPZSA-N 405.520 1.484 0 50 HDAA CC(=O)NC1(CNC(=O)Nc2cccc(S(N)(=O)=O)c2)C2CC3CC(C2)CC1C3 1875287856 CQZIJNJQKGMQNT-UHFFFAOYSA-N 420.535 1.787 0 50 HDAA CN(C)C(=O)c1cc(NC(=O)[C@H]2C[C@H]2C(=O)Nc2ccnc(C(=O)N(C)C)c2)ccn1 2325733637 OQJTXVPHOVCFLY-GASCZTMLSA-N 424.461 1.094 0 50 HDAA Cc1nc(O)ccc1S(=O)(=O)NC(=O)[C@@H]1CC(=O)N([C@@H](C)c2ccccc2)C1 2325819795 QEMIOUCPLCLWOQ-DZGCQCFKSA-N 403.460 1.510 0 50 HDAA COc1ccc(F)cc1S(=O)(=O)N1CCC(C(=O)NC[C@@H]2CCCO2)CC1 10302853 SQJLLEIHLZLWAL-HNNXBMFYSA-N 400.472 1.530 0 50 HDAA COc1cccc(CN(C)Cc2nonc2C)c1OC[C@H](O)CN1CCOCC1 12075500 UDKSZBLUMWXTQP-QGZVFWFLSA-N 406.483 1.091 0 50 HDAA CCc1cc(CNCc2ccc(OC[C@H](O)CN3CCOCC3)c(OC)c2)on1 14973434 BHWIXKQAIBBDIP-GOSISDBHSA-N 405.495 1.607 0 50 HDAA COc1cc(Cl)c(CN2CCC[C@H](CNS(=O)(=O)N(C)C)C2)cc1OC 15075188 IXKRWDLXPUFQEY-CYBMUJFWSA-N 405.948 1.965 0 50 HDAA CN(CCn1ccc2ccccc21)C(=O)CCCn1nnnc1CN1CCOCC1 20235065 ARXVEUIMMHKIMM-UHFFFAOYSA-N 411.510 1.399 0 50 HDAA O=S(=O)(NCc1ccccc1CN1CCOCC1)c1ccc2c(c1)OCCO2 26358030 FTKBZKJUJZRTMF-UHFFFAOYSA-N 404.488 1.769 0 50 HDAA CCOc1ccc(S(=O)(=O)N2CCN(c3cc(N4CCCC4)ncn3)CC2)cc1 38530849 XMUQKBPOTFEVNV-UHFFFAOYSA-N 417.535 1.986 0 50 HDAA CC(C)NC(=O)CN1CCN(C(=O)c2cn(Cc3cccc(Cl)c3)nn2)CC1 39532440 NKTHHALEECCUNA-UHFFFAOYSA-N 404.902 1.262 0 50 HDAA CC(C)NC(=O)CN1C(=O)C2(CCN(C(=O)c3cn[nH]c3)CC2)Nc2ccccc21 67935393 LDNUGOYRSWIBIV-UHFFFAOYSA-N 410.478 1.368 0 50 HDAA Cc1noc(CN(C)C(=O)[C@H]2[C@@H]3C=C[C@@]4(CN(c5ccc(F)cc5C)C(=O)[C@H]24)O3)n1 77379019 LISVHAWMTBTLBE-DBSRCYSRSA-N 412.421 1.771 0 50 HDAA Cc1ccc(N2CCC3(CC2)CN(CCCN2CCN(C(C)C)CC2)C(=O)O3)nn1 77471089 AAGKWIHLPSJUSF-UHFFFAOYSA-N 416.570 1.992 0 50 HDAA COc1ccc(CN2C(=O)N[C@H](CCC(=O)NCc3cccnc3)C2=O)cc1OC 206232118 QITZBMRATSVROQ-MRXNPFEDSA-N 412.446 1.616 0 50 HDAA O=C(CC[C@H]1NC(=O)N(CCc2ccccc2)C1=O)N1CCN(c2ccccn2)CC1 206254611 YCIQZAUJUOXBKK-LJQANCHMSA-N 421.501 1.674 0 50 HDAA CC[C@@H]1CN(C(=O)c2ccc(Cl)c(S(=O)(=O)NC[C@H]3CCCO3)c2)C[C@@H]1O 222007904 RFKGGVDREODHHC-XPKDYRNWSA-N 416.927 1.640 0 50 HDAA CCOC(=O)[C@H](CC1=CN[C@@H]2C=CC=C[C@@H]12)NC(=O)CN1C(=O)c2ccccc2C1=O 229474249 WVOFZQZADYCTOA-IPELMVKDSA-N 421.453 1.319 0 50 HDAA CC(=O)N(C)c1ccc(S(=O)(=O)Nc2ccccc2-n2ccc(C(N)=O)n2)cc1 460825262 VTASEDUWVLXTKE-UHFFFAOYSA-N 413.459 1.755 0 50 HDAA CCc1cc(N2CCC(NC(=O)Cn3c(=O)nc(O)c4ccccc43)CC2)ncn1 480133311 QRSCPHNKNDALPG-UHFFFAOYSA-N 408.462 1.240 0 50 HDAA O=C(CNC(=O)c1ccccc1)NC[C@@H]1CCCN(C(=O)[C@H]2CC[C@H](O)CC2)C1 828864966 DDIKOIJZQXTHQC-WDSOQIARSA-N 401.507 1.322 0 50 HDAA Cc1ccc(C(=O)N2CCC(C(=O)N3CCc4c(c(C(N)=O)nn4C)C3)CC2)cc1 952869596 WDUURBLZORLVJG-UHFFFAOYSA-N 409.490 1.265 0 50 HDAA CCCn1cc(C(=O)N2C[C@@H]3CN(C(=O)CCOC)C[C@]3(CN(C)C)C2)c(C)n1 1772710883 XBZKIXKTRLITOF-LAUBAEHRSA-N 405.543 1.100 0 50 HDAA COc1cccc(CNC(=O)[C@@]23CCCN(CC(=O)O)[C@H]2CN(C)CC3)c1OC 1857683176 FBTRNCKCWRNVFL-LAUBAEHRSA-N 405.495 1.191 0 50 HDAA COCCN1CC[C@@H](CNC(=O)C2CCN(c3nc4nc(C)ccc4o3)CC2)C1 1857732210 HNUSQGZWBYPWPV-INIZCTEOSA-N 401.511 1.832 0 50 HDAA C=CC(=O)N(C)CC(=O)N[C@H]1CCS(=O)(=O)c2ccc(Br)cc21 2325888922 OLOOMCBDDPACTN-LBPRGKRZSA-N 401.282 1.428 0 50 HDAA CC(=O)OC[C@H]1O[C@@H](Oc2ccccc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 8626827 HPKPFIHCMIKXMU-LCWAXJCOSA-N 424.402 1.149 0 50 HDAA biogenic,in-vitro Cc1cc(CNCc2c(C(=O)N3C[C@H](C)O[C@H](C)C3)nc3sccn23)nn1C 12204196 DTYYDLANEHCPEC-OKILXGFUSA-N 402.524 1.977 0 50 HDAA COc1ccccc1OCC(=O)NC[C@@H]1CCCN(C(=O)CCN2CCCO2)C1 12582920 GSZBVCNKDKHCSG-KRWDZBQOSA-N 405.495 1.456 0 50 HDAA O=C(CN1C(=O)CSC1=O)N1CCC[C@@H](N2CCN(c3ccccc3F)CC2)C1 55154793 AVDIOLSKBDJARJ-OAHLLOKOSA-N 420.510 1.634 0 50 HDAA CN(C)C(=O)c1cncc(N2CCC(N3CCC[C@H](C(=O)N4CCCC4)C3)CC2)n1 71661909 ZDKGEYQGARQUMQ-KRWDZBQOSA-N 414.554 1.482 0 50 HDAA Cc1ccc(N2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N(C)CCn3cccn3)[C@H]4C2=O)cc1C 77439706 FUIXIQDWTXWBDN-SRYPRDQNSA-N 406.486 1.945 0 50 HDAA COC(=O)C1(C(=O)N[C@H]2CCN([C@H](C(=O)OC(C)(C)C)c3ccccc3)C2=O)CC1 170608636 UWRBRTVSJFHSQB-HOTGVXAUSA-N 416.474 1.740 0 50 HDAA COc1ccc(O[C@@H]2O[C@@H]3CO[C@H](c4ccccc4)O[C@@H]3[C@@H](O)[C@H]2NC(C)=O)cc1 245380147 SDSYBZDALLFMBU-GPHILITQSA-N 415.442 1.779 0 50 HDAA O=C(Nc1nccs1)c1cccc(S(=O)(=O)N2C[C@@H]3C[C@H]4C[C@H]3[C@H]2[C@@H]4O)c1 408525181 OTJUFJDUCXVWIL-LZNONINNSA-N 405.501 1.785 0 50 HDAA CN(C)CCOc1ccc2c(c1)CCOC21CCN(C(=O)c2cncnc2O)CC1 1857677481 DKIMDRDTKRCBAI-UHFFFAOYSA-N 412.490 1.827 0 50 HDAA C[C@@H](NC(=O)NCc1nn[nH]c1-c1ccnn1C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 1875352194 XDGKQYYALTWVON-CHWSQXEVSA-N 418.502 1.650 0 50 HDAA C[C@@]1(C(=O)NC[C@@H](NC(=O)c2cnn[nH]2)c2ccc3ccccc3c2)CCNC(=O)C1 1875359550 ILDSAPDKKMQCCU-VGOFRKELSA-N 420.473 1.462 0 50 HDAA CC(C)N1C(=O)CO[C@H](C(=O)NCCCc2csc(=N)[nH]2)[C@H]1c1ccccc1 2100483735 KPBVAQUDRHZMFH-MSOLQXFVSA-N 402.520 1.982 0 50 HDAA Cc1onc(-c2ccccc2)c1C(=O)N[C@@H]1C(=O)N2[C@@H](C(=O)O)C(C)(C)S[C@H]12 3875439 UWYHMGVUTGAWSP-JKIFEVAISA-N 401.444 1.895 0 50 HDAA biogenic,fda Cc1cc(C)cc(C(=O)N2CCc3nnc(CNC(=O)c4ccncc4)n3CC2)c1 11978303 WGFHLJCFJRUYND-UHFFFAOYSA-N 404.474 1.918 0 50 HDAA O=C1CN(C(=O)[C@@H]2CCOC2)C[C@@H](OCc2ccccc2)CN1CC1CCOCC1 14748945 DEOCHGPWOOIRHI-RTWAWAEBSA-N 416.518 1.706 0 50 HDAA COc1ccccc1C(=O)NCc1nnc2n1CCN(C(=O)[C@H]1C[C@@H]3C=C[C@H]1C3)CC2 14987485 XFWSQSPVKPAJRQ-RYRKJORJSA-N 421.501 1.814 0 50 HDAA COc1ccc(CN(C)Cc2nonc2C)c(OC[C@H](O)CN2CCN(C)CC2)c1 19608728 FBBQHDMRDFKMHY-GOSISDBHSA-N 419.526 1.006 0 50 HDAA Cc1c(C)n2c3c(=O)n(CCN4CCOCC4)c(=O)n(C)c3nc2n1C1CCCC1 20661114 IAHXRMNIOSUIOC-UHFFFAOYSA-N 414.510 1.214 0 50 HDAA O=C(CCCn1nnnc1CN1CCOCC1)N[C@H](c1ccccn1)C(F)(F)F 23340150 ICFIAOHOQCEFLQ-MRXNPFEDSA-N 413.404 1.100 0 50 HDAA CCCc1cncnc1N1CCC(N2CCC[C@@H](C(=O)N3CCOCC3)C2)CC1 71751313 VYRCMHFPQWAGFQ-LJQANCHMSA-N 401.555 1.969 0 50 HDAA CNS(=O)(=O)c1ccc(C(=O)Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)nc2)cn1 472727871 MIDFSEBHMUEDDJ-CHWSQXEVSA-N 405.480 1.251 0 50 HDAA CCN1CCN(c2cccc(NC(=O)N3CCN(Cc4nccn4C)CC3)c2)CC1 473828558 JZAGZCRBJGWCDE-UHFFFAOYSA-N 411.554 1.912 0 50 HDAA O=C1CCc2cc(S(=O)(=O)N[C@H]3CCCN(C(=O)c4ccco4)C3)ccc2N1 828281709 QSPNZESCZIYNEH-AWEZNQCLSA-N 403.460 1.747 0 50 HDAA CC(=O)c1ccc(C(=O)N2C[C@H]3CN(C(=O)c4cc(C)on4)C[C@@]3(CO)C2)s1 1772702902 LYSCXEIDRILNHH-YJYMSZOUSA-N 403.460 1.454 0 50 HDAA Cc1ccc(CN2C[C@H]3CN(C(=O)C4=NNC(=O)CC4)C[C@]3(CCC(=O)O)C2)s1 1772808878 DGPBJCYTUVJFRF-XOBRGWDASA-N 418.519 1.448 0 50 HDAA CN(C)C[C@]12CN(C(=O)C3CCC3)C[C@H]1CN(S(=O)(=O)Cc1ccc(F)cc1)C2 1772816601 XACNZWWYDAWSGU-GHTZIAJQSA-N 423.554 1.778 0 50 HDAA CN1CCn2nc(C(=O)N3CCc4c(-c5ccccc5)nn(C)c4CC3)cc2C1=O 1857696054 KJXBNQVDRNVEIC-UHFFFAOYSA-N 404.474 1.610 0 50 HDAA CCCOc1ccc(C(=O)N2C[C@H](O)[C@H](CS(=O)(=O)N(C)C)C2)cc1Cl 1857722037 AAJRZINRQJVBMJ-ZFWWWQNUSA-N 404.916 1.453 0 50 HDAA CN(Cc1cccc(OCC(=O)O)c1)C(=O)c1cc(S(=O)(=O)N(C)C)cn1C 2325868710 HOAXQAIVTNKNRB-UHFFFAOYSA-N 409.464 1.011 0 50 HDAA Cn1cc(-c2cn([C@@H]3C[C@@H]4CC[C@@]3(NC(=O)[C@H]3C[C@@H](n5cnnc5)C3)C4)nn2)cn1 2325872781 MSQUESFPXZHRJU-PTCHYSAWSA-N 407.482 1.521 0 50 HDAA COCCN1CCC[C@]2(CCCN2S(=O)(=O)c2cccnc2C(F)(F)F)C1=O 2356142729 FGPDPWKQVPWRDS-INIZCTEOSA-N 421.441 1.893 0 50 HDAA O=S(=O)(C[C@@H]1COCCO1)N1CCC2(CC1)OCCc1c2[nH]c2ccccc12 2356163352 AKOWYIAAZICMPA-HNNXBMFYSA-N 406.504 1.777 0 50 HDAA Cc1ccccc1Cn1c(N(CCO)Cc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C 6525583 SDTFHYQIXLVOBU-UHFFFAOYSA-N 419.485 1.779 0 50 HDAA CCOC(=O)[C@@H]1[C@H](c2cccc(OC)c2OC)NC(=S)N[C@@]1(O)C(F)(F)F 11859270 SDILKHRCSNPCIQ-PGUXBMHVSA-N 408.398 1.653 0 50 HDAA Cc1ccc2c(c1)CN(CC(=O)N1CCC(C(=O)N3CCOCC3)CC1)C[C@H](C)O2 14997043 FDZWZDSTPSQQDA-SFHVURJKSA-N 415.534 1.675 0 50 HDAA O=C(NCCCCc1ccccn1)[C@H]1CCC(=O)N(CCCN2CCCC2=O)C1 15076472 QZKLQGQKDWRSRL-SFHVURJKSA-N 400.523 1.772 0 50 HDAA O=C(NCCCN1CCOCC1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 16527300 BQPOFTOGAFDLFH-UHFFFAOYSA-N 413.515 1.065 0 50 HDAA C[C@H]1CN(c2ccccc2)c2nc3c(c(=O)n(CCN4CCOCC4)c(=O)n3C)n2C1 20051825 JUCWXVDJQFZFHY-INIZCTEOSA-N 424.505 1.017 0 50 HDAA CN1CCN(S(=O)(=O)Cc2ccc(C(=O)NCCCN3CCCCC3)cc2)CC1 67629877 DIMBRWXMUVNUMD-UHFFFAOYSA-N 422.595 1.370 0 50 HDAA COC[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)CN(C(=O)COC(C)C)CC2 77323471 OWCFSGHBCCWRQY-SFHVURJKSA-N 410.536 1.796 0 50 HDAA Cc1ccc(C)c(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N3CCCN(C)CC3)[C@@H]4C2=O)c1 77393127 FQPJGMRWMSXWPR-BLRYILKCSA-N 409.530 1.750 0 50 HDAA Cc1ncc(CC(=O)N2CCC3(CCC(=O)N(C[C@H]4CCCO4)C3)CC2)c(=O)[nH]1 91468475 KHPLPCHLJNKJEO-QGZVFWFLSA-N 402.495 1.031 0 50 HDAA COCCN1CCN(c2nnc(COc3ccccc3F)n2C[C@@H]2CCCO2)CC1 252494943 OITJKJCGADHWJU-KRWDZBQOSA-N 419.501 1.944 0 50 HDAA CC[C@@H]1CN(C(=O)CCc2c(C)nn(-c3ccc(S(N)(=O)=O)cc3)c2C)C[C@H]1O 468023352 AEVBCZXGAWVSIM-DNVCBOLYSA-N 420.535 1.298 0 50 HDAA CCC(=O)N1C[C@H]2CN(S(=O)(=O)c3cnn(C)c3)C[C@@]2(CCc2ccccc2)C1 1772817190 LWHPCPLYPZYEHV-GHTZIAJQSA-N 416.547 1.912 0 50 HDAA Cc1cc(C(=O)N2C[C@@H]3CN(S(=O)(=O)CC(C)C)C[C@]3(CN(C)C)C2)nc(C)n1 1772818282 BYURZVOWTHKYLU-XLIONFOSSA-N 423.583 1.015 0 50 HDAA C[C@H](NC(=O)C(=O)NCCN1C(=O)CCC1=O)c1ccc(Oc2ccccc2)cc1 1875257637 GYGSQXGPYCWJPU-HNNXBMFYSA-N 409.442 1.921 0 50 HDAA CN(CCc1ccccc1)CC(=O)NC[C@]1(F)C[C@@H](Nc2ncnc3[nH]cnc23)C1 1875327090 ZDXVRXNZASBWNW-NBEIKUQISA-N 411.485 1.926 0 50 HDAA CC(C)(C)NS(=O)(=O)C1(CNc2ncnc3c2cnn3-c2ncccn2)CCC1 2325825090 DCPCEHQRYIYMGI-UHFFFAOYSA-N 416.511 1.658 0 50 HDAA O=C(Cc1coc(C(F)F)n1)NC[C@@H](NC(=O)[C@@]1(O)CCOC1)c1ccccc1 2325861526 SOBUKPDYKGXCEL-AUUYWEPGSA-N 409.389 1.280 0 50 HDAA O=C1CC[C@H](N2Cc3cc(NC(=O)N4CCc5cccnc54)ccc3C2=O)C(=O)N1 2325901685 TXZVAHSKKPEQIX-INIZCTEOSA-N 405.414 1.437 0 50 HDAA COc1cccc(C[C@H]2[C@H]3C[C@H](CN(C(=O)COCC(N)=O)C3)[C@@H]3CCCCN23)c1 2356155933 OFKUMWOLPUMMAS-ZFMNYDKASA-N 415.534 1.441 0 50 HDAA CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C(=O)N3CCCCCC3)CC2)cc1 1069006 PJVJDRDZFMQFTO-UHFFFAOYSA-N 408.524 1.947 0 50 HDAA CNC(=O)C[C@H]1C(=O)N(Cc2ccccc2)C(=S)N1NC(=O)c1cccc(F)c1 2728160 LSIOHURZYVLRGQ-INIZCTEOSA-N 414.462 1.605 0 50 HDAA COC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 4027392 QWRVHVAOTRUOLA-ROUUACIJSA-N 400.431 1.174 0 50 HDAA biogenic COCCN1CCN(C(=O)C[C@H]2C(=O)NCCN2Cc2cccc3ccccc23)CC1 12572283 XYMXAWQLZFRACV-QFIPXVFZSA-N 424.545 1.321 0 50 HDAA COc1ccccc1CN1CCNC(=O)[C@@H]1CC(=O)NCc1c(F)cccc1F 12592379 IWALZDVOHCNUJX-SFHVURJKSA-N 403.429 1.980 0 50 HDAA O=C(CCCn1c(=O)[nH]c2ccccc2c1=O)Nc1ccc(Cn2cncn2)cc1 13571409 IWXIBWFIQSXSPL-UHFFFAOYSA-N 404.430 1.749 0 50 HDAA Cc1nnc(NS(=O)(=O)c2ccc3c(c2)CN(C(=O)[C@@H]2CCCO2)CC3)s1 77407459 AAPHARDUIHHNPY-HNNXBMFYSA-N 408.505 1.711 0 50 HDAA O=S1(=O)CC[C@]2(C[C@@H](NS(=O)(=O)c3ccc(Br)cc3)CCO2)C1 170591849 GKJGATVPVXEFOQ-JSGCOSHPSA-N 424.338 1.464 0 50 HDAA O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]2C(=O)N1c1ccncc1)[C@H]1C(=O)N(c2ccncc2)C(=O)[C@H]31 239309368 HLMBUKUTOFQWAX-NWCWSAAOSA-N 400.394 1.204 0 50 HDAA NS(=O)(=O)c1cccc(S(=O)(=O)NCc2nnc(-c3ccccc3)s2)c1 470603059 SDUICGSANWAOHP-UHFFFAOYSA-N 410.502 1.331 0 50 HDAA O=C(Nc1cnn2c1NCCC2)[C@@H]1[C@@H]2C(=O)N(Cc3ccccn3)C[C@]23C=C[C@H]1O3 1506397043 XYRKYLQEYGYFHP-KYFSNAEOSA-N 406.446 1.014 0 50 HDAA CNc1cc(N2CCC[C@@]3(CCc4c(O)nc(-c5cccnc5)nc43)C2)nc(=N)[nH]1 1857735101 ICSTYSZHYFLONV-OAQYLSRUSA-N 404.478 1.973 0 50 HDAA Cc1ccccc1-n1ncc(C(=O)N2C[C@H]3[C@H](N(C)C)CS(=O)(=O)[C@H]3C2)c1C 1857738577 OIDJLQWRMUEUEZ-UHOSZYNNSA-N 402.520 1.288 0 50 HDAA CN(C)Cc1cccc(C(=O)N2CCC[C@@H](n3cc(COCC(=O)O)nn3)CC2)c1 1875355116 AQRYWUNQLYHBTR-LJQANCHMSA-N 415.494 1.808 0 50 HDAA O=C(O)Cc1ccccc1NC(=O)c1ccc2c(c1)C(=O)N([C@H]1CCC(=O)NC1=O)C2 2325897573 ZLDCOEIKMJHMDG-KRWDZBQOSA-N 421.409 1.327 0 50 HDAA Cc1cc(C)n(CCC(=O)N2CCC[C@@]3(CCc4cnc(N(C)C)nc43)C2)c(=O)n1 2356134726 ZGBUEWUKVSQZAJ-JOCHJYFZSA-N 410.522 1.613 0 50 HDAA Cc1ccccc1NC(=O)CN1CC(=O)N(CC(=O)Nc2ccccc2C)CC1=O 2866316 PIKHZCUSQXLYKX-UHFFFAOYSA-N 408.458 1.551 0 50 HDAA CC1=NN(C(=O)c2ccn(Cn3cc(Br)cn3)n2)[C@@](O)(C(F)F)C1 6263591 QZQLQHHVFXHPIA-ZDUSSCGKSA-N 403.187 1.523 0 50 HDAA CCOC(=O)c1cc(C)nc2c1c(=O)n(CC(=O)NCc1ccc(C)cc1)c(=O)n2C 12410718 LMMWTSHRJPSKMY-UHFFFAOYSA-N 424.457 1.205 0 50 HDAA CN(C)S(=O)(=O)N1CCC(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)CC1 13677139 IVEUUKPOEFMNDD-RMKNXTFCSA-N 420.579 1.362 0 50 HDAA Cc1ccc(C)c(S(=O)(=O)N2CCN3C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H]3C2)c1 14534067 TXMKETRBNZFNKY-DLBZAZTESA-N 407.536 1.392 0 50 HDAA COc1ccc(C[C@@H]2NC(=O)[C@@H]3C[C@H](NC(=O)c4ccc(F)cc4)CN3C2=O)cc1 14755840 OVVVOPBKNGCBHD-WDSOQIARSA-N 411.433 1.275 0 50 HDAA Cc1nc(CCN(C)C(=O)[C@@H]2[C@@H]3C=C[C@@]4(CN(C5CCCCCC5)C(=O)[C@@H]24)O3)no1 77357041 MGLGVEXPCNPTLC-VGYLUTEMSA-N 414.506 1.884 0 50 HDAA CCN(Cc1nc(C)no1)C(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(Cc4cccnc4)C(=O)[C@H]13)O2 77437141 IEMHLABCUZURPL-DKXUYOFUSA-N 409.446 1.104 0 50 HDAA C[C@H](O)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)O 100820104 UEAPJHKMJTZURQ-QGTPRVQTSA-N 400.431 1.474 0 50 HDAA COC(=O)C1=CN(CC(=O)Nc2cccc(Br)c2)S(=O)(=O)N=C1C 169771863 AODOBSHHXBHJNY-UHFFFAOYSA-N 416.253 1.466 0 50 HDAA Cc1cc(C(=O)COC(=O)c2ccc(N(C)C)cn2)c(C)n1[C@H]1CCS(=O)(=O)C1 170595951 VPCSXNDQOMMAMO-INIZCTEOSA-N 419.503 1.965 0 50 HDAA COc1cc(C)c(S(=O)(=O)Nc2cccc(S(=O)(=O)N(C)C)c2N)c(C)c1 225698114 WFHWFYXNQNJQNZ-UHFFFAOYSA-N 413.521 1.945 0 50 HDAA COC(=O)C1=NN(CCC(C)=O)[C@H]2C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@@H]12 226807094 MXRDKEWHRRJPBO-GXTWGEPZSA-N 412.229 1.675 0 50 HDAA CCCCN1CCn2nc(CNS(=O)(=O)N3CCc4ccccc4C3)cc2C1 426701477 SPMLYMVKUOGDCN-UHFFFAOYSA-N 403.552 1.892 0 50 HDAA Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)N[C@@H]1CCc2ccccc2C1 680425903 XNLKFBAOXLMUTQ-QGZVFWFLSA-N 403.504 1.333 0 50 HDAA COc1ccc(NC2(C(=O)N[C@H]3COC[C@@H]3N3CCN(C)CC3)CCCCC2)cc1 1506408584 NKELISRUJUTFKC-SFTDATJTSA-N 416.566 1.941 0 50 HDAA CS(=O)(=O)NCC(=O)N1CCC[C@@]2(CCc3cnc(-c4ccccc4)nc32)C1 1704312920 FEMRKWAUHFTGLK-HXUWFJFHSA-N 400.504 1.499 0 50 HDAA CN(C)C[C@]12CN(C(=O)Cc3cccs3)C[C@H]1CN(C(=O)c1cncc(F)c1)C2 1772700499 BYETUAWVTYDJGN-HRAATJIYSA-N 416.522 1.987 0 50 HDAA CN(C)S(=O)(=O)N1C[C@@H]2CN(Cc3ncc[nH]3)C[C@@]2(CCc2ccccc2)C1 1772816220 IWMAFEJDLHBNKB-ICSRJNTNSA-N 403.552 1.583 0 50 HDAA CCc1noc(CNC(=O)[C@@]23CC[C@H](N4CCOCC4)C[C@H]2CCN(CC)C3)n1 1857684821 FVKGZMPEVFQKOP-LLGFUMIMSA-N 405.543 1.461 0 50 HDAA COc1ccc(C(=O)N[C@@H]2CNCC[C@H]2O)cc1Oc1cccc(OC)c1CN 1857689271 LQOVJDQZVQNXGQ-HZPDHXFCSA-N 401.463 1.407 0 50 HDAA Cc1ccnn1CCC(=O)N1CCO[C@@H](CN2CCCCC2)[C@@H]1c1cnn(C)c1 1857733212 ZSLJKQZIZHZZIV-FPOVZHCZSA-N 400.527 1.770 0 50 HDAA CC(C)[C@@H](C(=O)N(C)CCCN(C)C(=O)[C@@H](C(C)C)n1cncn1)n1cncn1 2325727873 KTFOSKBGHRPVGF-CALCHBBNSA-N 404.519 1.271 0 50 HDAA C[C@H](c1ccccc1)N1C[C@H](C(=O)NS(=O)(=O)c2ncn(C)c2Cl)CC1=O 2325819599 KJXIRNBZMXBBJB-DGCLKSJQSA-N 410.883 1.488 0 50 HDAA CC[C@H](C(=O)N=[S@]1(=O)CCCN(C(=O)[C@H]2CC2(F)F)CC1)N1CCCC1=O 2332239070 VKGQULLRXCQXTM-BOABCZMQSA-N 405.467 1.270 0 50 HDAA COc1ccc([C@@H]2[C@@H](C(=O)NCc3cccc(CO)c3)OCC(=O)N2C2CC2)cc1 2356169048 JVJITZJMOZXLGN-YADHBBJMSA-N 410.470 1.935 0 50 HDAA C[C@H](O)[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)O 1576086 UEAPJHKMJTZURQ-BMGDILEWSA-N 400.431 1.474 0 50 HDAA COC(=O)c1ccc(CN2CCc3nnc(CNC(=O)c4ccccn4)n3CC2)cc1 19865522 KHVMQHWBSBGDQH-UHFFFAOYSA-N 420.473 1.448 0 50 HDAA O=C(c1n[nH]c2c1CCC2)N1CC[C@@H](N2CCN(c3ccccc3F)CC2)[C@H](O)C1 20541902 YXEYIWJCMUMHJQ-WOJBJXKFSA-N 413.497 1.435 0 50 HDAA NS(=O)(=O)c1cc2c(cc1Cl)NC(CSCC(F)(F)F)=NS2(=O)=O 71769458 NIIMTFAWAPYCAK-UHFFFAOYSA-N 423.847 1.796 0 50 HDAA O=C(NCC(=O)N1CCN(c2ccnc(N3CCCCC3)n2)CC1)c1ccccc1 72437852 PLNAOHHDOSEXES-UHFFFAOYSA-N 408.506 1.546 0 50 HDAA Cc1ccc(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N(C)Cc3ncc[nH]3)[C@@H]4C2=O)cc1C 77437933 MXWMADXCINAQIF-CLWLKPMESA-N 406.486 1.967 0 50 HDAA O=C1[C@H]2[C@@H](C(=O)N3CC(Oc4ccccc4)C3)[C@@H]3C=C[C@@]2(CN1Cc1cccnc1)O3 77485433 UPUWHCJZIYVYAU-JCUDRXCFSA-N 417.465 1.653 0 50 HDAA COc1cc2nc(C)n(CC(=O)N[C@H](CO)Cc3ccccc3)c(=O)c2cc1OC 253406881 JJTPIVJDGVRRGL-INIZCTEOSA-N 411.458 1.442 0 50 HDAA biogenic OC[C@@H]1CCCN(CCNCc2ccccc2OCCCCN2CCOCC2)C1 952982376 LCXNUCLBAVSQAJ-OAQYLSRUSA-N 405.583 1.972 0 50 HDAA CN(CC1CCN(Cc2ccccc2)CC1)C(=O)CN(C)[C@H]1CCS(=O)(=O)C1 952986425 ZUQXEEOBNOBIDL-FQEVSTJZSA-N 407.580 1.476 0 50 HDAA C[C@@H](C(=O)N1C[C@H]2CCC[C@]2(c2nc(Cc3ccccc3)no2)C1)S(C)(=O)=O 1857532402 GUJSUADBNJWKMV-NBQZKYEYSA-N 403.504 1.974 0 50 HDAA O=C(NCCC(=O)N1CCO[C@H](c2cccc(O)c2)C1)c1ccc(-c2nn[nH]n2)cc1 2325743222 WNKHQLGGSMUXFS-SFHVURJKSA-N 422.445 1.292 0 50 HDAA O=C(N[C@@H]1CCCN(c2ccc(F)c(F)c2)C1=O)N1CCCn2nc(CO)cc2C1 2325828875 UNRUXMVDRLGEIK-GOSISDBHSA-N 419.432 1.765 0 50 HDAA Cn1c(C(=O)NC[C@@H](O)CNC(=O)COc2ccc(O)cc2)cc(Cl)c1Cl 2325851367 XZTATQSBSAGCEC-NSHDSACASA-N 416.261 1.323 0 50 HDAA CCN1C[C@H](C(=O)N2CCC[C@@H](NC(=O)c3cccc(C(N)=O)c3)CC2)CCC1=O 2325864754 ZDHKACYEBNTGRW-QZTJIDSGSA-N 414.506 1.155 0 50 HDAA O=C1CC[C@H](N2Cc3ccc(CNC(=O)Nc4ccc(F)cc4)cc3C2=O)C(=O)N1 2325886794 JLBUYGBBGCOMRG-KRWDZBQOSA-N 410.405 1.908 0 50 HDAA Cc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@@H]2C(=O)N2CCOCC2)cc1 921455 TXTRYFNHTHJRTD-HXUWFJFHSA-N 400.500 1.969 0 50 HDAA COc1cc(CNCCc2cnccn2)ccc1OC[C@H](O)CN1CCSCC1 11878884 LTIGOPURABHHAP-LJQANCHMSA-N 418.563 1.606 0 50 HDAA COc1cc(CN2CCC(C(N)=O)CC2)ccc1OC[C@@H](O)CN1CCSCC1 11951628 LWHZROUNBNIXTM-SFHVURJKSA-N 423.579 1.181 0 50 HDAA C=CCN1C(=O)C[C@@H](C(=O)OC)C12CCN(Cc1cccn1-c1ncccn1)CC2 12135561 GCZXZPWCKCQYDM-SFHVURJKSA-N 409.490 1.809 0 50 HDAA Cc1ccc(C(=O)N[C@H]2C[C@H]3C(=O)N[C@@H](Cc4ccc(O)cc4)C(=O)N3C2)cc1F 14534011 RTXSNZVZGLJINQ-SNRMKQJTSA-N 411.433 1.280 0 50 HDAA CCOc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H](C(=O)NCCOC)C1 16527281 GASKSLFFJHXEGK-CYBMUJFWSA-N 404.916 1.902 0 50 HDAA Cn1c(CCNC(=O)CC[C@H]2NC(=O)N(Cc3ccco3)C2=O)nc2ccccc21 206247092 CWPRHFFINUGZOW-MRXNPFEDSA-N 409.446 1.726 0 50 HDAA CC(C)Oc1ccc(NC(=O)C(=O)Nc2ccn(Cc3ccncc3)n2)cc1C(=N)O 328596610 ICCYWFBRLVWUJM-UHFFFAOYSA-N 422.445 2.574 0 50 HDAA COc1cccc2c1ccn2CCNC(=O)C[C@H]1NC(=O)c2ccccc2NC1=O 334161966 KXYCKQPXAWCPSG-QGZVFWFLSA-N 406.442 1.907 0 50 HDAA COc1ccc(C(=O)N2CCC[C@@]3(CN(CC(=O)NC(C)C)CC[C@H]3O)C2)cc1 1857691593 RIGGJVLKTXVJMA-DENIHFKCSA-N 403.523 1.509 0 50 HDAA COc1ccc(C(=O)N[C@H]2CC[C@H](C(=O)NCc3cscn3)C[C@@H]2OC)cn1 1857704765 FIEHFXICFKZXRB-RCBQFDQVSA-N 404.492 1.777 0 50 HDAA O=C(NCc1ncc[nH]1)[C@H]1CC[C@H]2OCCN(C(=O)CCOc3ccccc3)[C@@H]2C1 1940197325 HLSMDZHRPZYSSB-QXAKKESOSA-N 412.490 1.891 0 50 HDAA COc1ccncc1S(=O)(=O)NC(=O)[C@@H]1CC(=O)N([C@H](C)c2ccccc2)C1 2325819848 RWTLDAZIOMNNQJ-UKRRQHHQSA-N 403.460 1.505 0 50 HDAA CCN1C[C@H](C(=O)N2CCCC[C@H](NC(=O)c3ccc(C(C)=O)[nH]3)C2)CCC1=O 2325864516 QWIAGLWULFBYNM-CVEARBPZSA-N 402.495 1.587 0 50 HDAA CSCC[C@H](N)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](Cc1ccccc1)C(=O)O 9212677 CHDYFPCQVUOJEB-GVDBMIGSSA-N 409.552 1.410 0 50 HDAA biogenic O=C(Cn1cnnn1)N1CCOc2ccc(CN3CCc4ccccc4C3)cc2C1 12029252 CVQFOAYSEKQIDK-UHFFFAOYSA-N 404.474 1.653 0 50 HDAA CCOC(=O)N1CCC(NC(=O)C[C@H]2C(=O)NCCN2CCc2ccccc2)CC1 12570501 JJLHKJQGDFBVNF-IBGZPJMESA-N 416.522 1.157 0 50 HDAA CCN(C[C@@H]1CCCN(CCc2cccc(OC)c2)C1)C(=O)CCn1cnnn1 12709873 GTWZSGLUITYHEI-LJQANCHMSA-N 400.527 1.875 0 50 HDAA O=C(NCCc1nnc2n1CCN(Cc1ccc(F)cc1F)CC2)[C@@H]1CCCO1 14880734 CULRPDICBWGJMK-KRWDZBQOSA-N 405.449 1.452 0 50 HDAA O=C(CSc1nnc(CN2CCOCC2)n1-c1ccccc1)NC[C@@H]1CCCO1 19804482 GQAJEFHCERYSOW-KRWDZBQOSA-N 417.535 1.487 0 50 HDAA O=C(C[C@H]1C(=O)NCCN1Cc1ccoc1)NC1CCN(c2ccc(F)cc2)CC1 55384858 LEYUTFJMXXCVQF-FQEVSTJZSA-N 414.481 1.894 0 50 HDAA O=C(COc1cccnc1)N1CCC(N2CCC[C@@H](C(=O)N3CCCC3)C2)CC1 71613707 PYYCUHDYWHRSDE-GOSISDBHSA-N 400.523 1.786 0 50 HDAA COC(=O)[C@@H]1CN(C(=O)Cn2c(=O)[nH]c3ccccc3c2=O)C[C@@H]1c1ccsc1 170601213 RFRGQJYVNNQJMZ-HUUCEWRRSA-N 413.455 1.167 0 50 HDAA CCOc1ccc(OC[C@H](O)CN2CC[S@@](=O)C[C@H]2c2cnn(CC)c2)cc1 242273532 YDNKABBEMTWDKQ-PSUVCQILSA-N 407.536 1.847 0 50 HDAA COc1ccc(CN2C(=O)[C@@H](CCC(=O)N[C@@H](CO)C(C)C)N=C2O)cc1OC 252533205 GFZNBYWXERKFMV-CABCVRRESA-N 407.467 1.242 0 50 HDAA Cn1c(CNC(=O)N2CCCC[C@H]2CNS(C)(=O)=O)nc2cccc(Cl)c21 483310198 VYJGPGXCQZHDRB-LBPRGKRZSA-N 413.931 1.840 0 50 HDAA O=C(N[C@@H]1C2CN3CCN(C2)CC1(c1ccccc1)C3)c1cn(-c2ccccc2)nn1 670467202 LHAOJERQCWLALQ-NBTXJNEHSA-N 414.513 1.565 0 50 HDAA C[C@@]1(C2CCN(C(=O)[C@@H]3CC(c4cc(F)ccc4F)=NO3)CC2)NC(=O)NC1=O 746013397 XYPNJFDXRFISBQ-KXBFYZLASA-N 406.389 1.295 0 50 HDAA CN1CCc2cc3c(c(OCC(=O)NCc4ccc5c(c4)OCO5)c2C1=O)OCO3 828027308 QHRRCOSSYGDMLQ-UHFFFAOYSA-N 412.398 1.467 0 50 HDAA biogenic O=S(=O)(N=c1nc[nH]n1-c1ncccn1)c1cc(Cl)ccc1OC(F)(F)F 1875312903 JOOIKHAEAAETNG-UHFFFAOYSA-N 420.760 1.832 0 50 HDAA Cn1cc(C(=O)N2Cc3ccccc3C[C@H]2CNC(=O)c2cccc3[nH]ncc23)nn1 1875361351 RXRVJQUVUBIQBB-INIZCTEOSA-N 415.457 1.689 0 50 HDAA O=C1CC[C@@H](N2Cc3ccc(C(=O)Nc4ccc5c(c4)CNC5)cc3C2=O)C(=O)N1 2325897409 WFUYPNVMZHKGKR-GOSISDBHSA-N 404.426 1.303 0 50 HDAA CCCCOc1nc(C)nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)n1 2831367 PMKUDXPWVVBCRA-UHFFFAOYSA-N 423.451 1.656 0 50 HDAA CSCC[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)C(=O)O 11767030 QSLHZEAZEOOXRS-HNNXBMFYSA-N 418.512 1.549 0 50 HDAA COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)N(C)Cc2nc(C)c[nH]2)c(C)c1C 11819713 SUVRMOQGIJPXCZ-SFHVURJKSA-N 413.522 1.693 0 50 HDAA CN(CCO)C(=O)c1cnn(-c2nccc(-c3ccc4c(c3)OCO4)n2)c1C1CC1 12451417 VIMVNXVZNMFCTQ-UHFFFAOYSA-N 407.430 2.000 0 50 HDAA O=C(N[C@H]1C[C@H]2C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N2C1)c1ccccc1Cl 14743181 YZMYOEPQGQZYIQ-KKXDTOCCSA-N 413.861 1.486 0 50 HDAA COC(=O)CCN1C[C@@H](OCc2ccncc2)CN(C(=O)c2occc2C)CC1=O 14746894 KHUKWGICKYBUSR-QGZVFWFLSA-N 415.446 1.416 0 50 HDAA COc1cc(OC)cc(C(=O)NC[C@@H]2CCCN(C(=O)CN3CCCC3=O)C2)c1 19146427 POPLSPGGQYSSOP-HNNXBMFYSA-N 403.479 1.295 0 50 HDAA O=C(C[C@H]1C(=O)NCCN1Cc1ccc(F)cc1)NCCCOc1cccnc1 20906846 AQAYLEMZCGWRNL-IBGZPJMESA-N 400.454 1.497 0 50 HDAA Cn1c(=O)[nH]c(=O)c2c1nc(N1CCCC1)n2C[C@H](O)COc1ccccc1Cl 170624355 NXEJSUFUNVKZCO-LBPRGKRZSA-N 419.869 1.117 0 50 HDAA O=C(COc1ccc(F)cc1F)N1CCC[C@@H](n2ncc(N3CCC3)cc2=O)C1 328606507 RVRNAYMAZWILKY-OAHLLOKOSA-N 404.417 1.974 0 50 HDAA COc1cc2c(cc1OC)CN(C1CCN(C(=O)Cn3nc(C)cc3N)CC1)CC2 824619485 PYSVLALKYJCCSS-UHFFFAOYSA-N 413.522 1.840 0 50 HDAA Cc1cc(CC(=O)NCC2CCN(C(=O)[C@H]3CC(=O)OC34CCCC4)CC2)on1 827861337 CZBJVJMMBOCEJA-QGZVFWFLSA-N 403.479 1.756 0 50 HDAA O=C(O)c1sccc1S(=O)(=O)NC12C[C@H]3C[C@@H](C1)CC(n1ncnn1)(C3)C2 828574635 LYZMDTCRPVXAGX-IUOZQUQDSA-N 409.493 1.459 0 50 HDAA CC(=O)N1CCC(CC(=O)N2CCSCC2)(N2Cc3ccccc3C2=O)CC1 952962999 MZSHMFWHBQNASB-UHFFFAOYSA-N 401.532 1.989 0 50 HDAA CC1(C)CNC(=O)C2(CCN(C(=O)c3cnc(N)nc3-c3ccccc3)CC2)NC1 1772816258 LPPGLRPUZPYUKG-UHFFFAOYSA-N 408.506 1.446 0 50 HDAA O=C(C1CCOCC1)N1C[C@H](O)[C@]2(C1)[C@H](c1ccccc1)[C@H]2CN1CCOCC1 2100483431 UCQZWBLTJMEQBO-ADYITMSISA-N 400.519 1.348 0 50 HDAA Cc1ncn(-c2ccc(NC(=O)[C@H]3CCNC34CCS(=O)(=O)CC4)cc2)c1C 2325840462 BAOKCKHAYHWEIO-GOSISDBHSA-N 402.520 1.985 0 50 HDAA CN(C)c1cccc(COc2ccc3c(c2)C(=O)N([C@@H]2CCC(=O)NC2=O)C3=O)n1 2325893893 YJKBAOOFRCSKBL-MRXNPFEDSA-N 408.414 1.128 0 50 HDAA COc1cc(-n2nnnc2SCC(=O)Nc2nonc2C)c(OC)cc1Cl 2872476 MDMIXNJLWTYGNG-UHFFFAOYSA-N 411.831 1.755 0 50 HDAA CCOC(=O)C1CCN(C2CCN(c3nc4nonc4nc3N(C)C)CC2)CC1 11839244 ZIOATRICLLAKFU-UHFFFAOYSA-N 403.487 1.323 0 50 HDAA NC(=O)C1CCN(C(=O)CNC(=O)N2CCc3c([nH]c4ccc(Cl)cc34)C2)CC1 12388895 OXMIDCCLIJUBMS-UHFFFAOYSA-N 417.897 1.613 0 50 HDAA COc1cccc(CN2CCNC(=O)[C@@H]2CC(=O)N(C)C2CCOCC2)c1OC 14962246 BAUIMBKVSBBEFB-KRWDZBQOSA-N 405.495 1.032 0 50 HDAA COc1ccc(C)cc1S(=O)(=O)N1CCN(c2cc(-n3ccnc3)ncn2)CC1 67623140 QVHXGFNFMNRPIK-UHFFFAOYSA-N 414.491 1.490 0 50 HDAA O=C(O)c1cc(-n2ccc(-c3ccco3)n2)cc(S(=O)(=O)N2CCOCC2)c1 71759894 DTBUGDLBRHJMNT-UHFFFAOYSA-N 403.416 1.851 0 50 HDAA CN(C)c1ccc(Br)c(S(=O)(=O)N2CCC[C@H]([C@@H](O)C(=O)O)C2)c1 225617609 URRQBJICBZBYMM-IINYFYTJSA-N 421.313 1.361 0 50 HDAA CS(=O)(=O)c1ccc2ncnc(N3CCC[C@@H]3C(=O)NCc3ccco3)c2c1 302638743 DMXZHOQTSOGDAI-QGZVFWFLSA-N 400.460 1.912 0 50 HDAA O=C(Nc1cccc(S(=O)(=O)N2C[C@@H]3C[C@H]4C[C@H]3[C@H]2[C@@H]4O)c1)c1cnccn1 408521590 ZSDCQBORCUMDAR-WJPHHUGGSA-N 400.460 1.119 0 50 HDAA Cn1c(CCCO)nc2cc(NC(=O)C[C@@H]3NC(=O)c4ccccc4NC3=O)ccc21 409414180 ONCVABYWHSFEEB-KRWDZBQOSA-N 421.457 1.578 0 50 HDAA O=C(Cc1csc(NC(=O)c2cccs2)n1)NCCS(=O)(=O)CC1CC1 765717343 GNSQPKQUSRAYSK-UHFFFAOYSA-N 413.546 1.940 0 50 HDAA CS(=O)(=O)CC[C@H](NC(=O)c1ccccc1Cl)C(=O)NOC1CCCC1 774870818 ZVWJUHXYRCXJTJ-HNNXBMFYSA-N 402.900 1.864 0 50 HDAA O=C(Cn1c(=O)oc2ccccc21)N1CCc2nnc(Cc3cccnc3)n2CC1 952977600 BKOXRQPRILAGKL-UHFFFAOYSA-N 404.430 1.257 0 50 HDAA COc1cc2c(cc1CN1C[C@H]3CN(Cc4nccn4C)C[C@]3(CO)C1)OCO2 1772704494 IVIDDFLRCZQBQU-KKSFZXQISA-N 400.479 1.084 0 50 HDAA Cc1cc(=O)c2ccccc2n1CC(=O)N1CCC2(CC1)NCC(C)(C)CNC2=O 1772810715 OTUIFJIXONJRQX-UHFFFAOYSA-N 410.518 1.417 0 50 HDAA CCS(=O)(=O)NC[C@@H](C)N1CCCN(C(=O)c2cc(F)ccc2OC)CC1 1800408335 DDCOQHZBLCBPLE-CQSZACIVSA-N 401.504 1.310 0 50 HDAA O=C(C1CCOCC1)N1CCC[C@@]2(CCc3c(O)nc(N4CCOCC4)nc32)C1 1857695677 UFBHHZVIXFZMOC-OAQYLSRUSA-N 402.495 1.252 0 50 HDAA O=C(c1cc2ncccn2n1)N1CCO[C@@H](CN2CCC(O)CC2)[C@@H]1c1ccccc1 1857735158 KGMDVBXTWPUMNV-UNMCSNQZSA-N 421.501 1.768 0 50 HDAA CN(C)C[C@@H]1OCCN(C(=O)c2cc(=O)n(-c3ccccc3)[nH]2)[C@H]1c1cnn(C)c1 1857736956 SAKBDCMCHPPWIW-ICSRJNTNSA-N 410.478 1.043 0 50 HDAA CCCc1c(C)nc2nc(=NC(=O)Cn3nc(C)c4ccccc4c3=O)[nH]n2c1O 1875245843 ABVLUSNBRLUPSG-UHFFFAOYSA-N 407.434 1.170 0 50 HDAA CCOC(=O)c1ncc(Br)c(N2CCN(c3ccc(O)nc3)CC2)n1 2325863207 ABJJPISQXAGEMV-UHFFFAOYSA-N 408.256 1.843 0 50 HDAA Cn1c(=O)c2c(ncn2CCC(=O)N2CCC(Cc3ccccc3)CC2)n(C)c1=O 4943395 RXLDBNLKCXCVJW-UHFFFAOYSA-N 409.490 1.305 0 50 HDAA CN(C)S(=O)(=O)N1CC[C@H]2[C@H](CCCN2C(=O)c2cc3ccccc3n2C)C1 12099193 BZEROUKMZIUBRO-AEFFLSMTSA-N 404.536 1.911 0 50 HDAA CC(=O)NS(=O)(=O)c1ccc(NC(=O)[C@@H]2CC(Cl)=CC[C@@H]2C(=O)O)cc1 12379546 OUXLSZIPAALAOZ-UONOGXRCSA-N 400.840 1.683 0 50 HDAA CCOC(=O)CNC(=O)N1CCC[C@@H](N(C)CCc2ccc(OC)c(OC)c2)C1 12702548 VUYGGJVQZDUWRI-QGZVFWFLSA-N 407.511 1.915 0 50 HDAA O=C1N[C@@H](Cc2ccccc2)C(=O)N2CCN(Cc3cccc4ncccc34)C[C@H]12 14744894 FDLMXPKSUUIRER-FCHUYYIVSA-N 400.482 1.989 0 50 HDAA O=C(c1cc2ccccc2cc1O)N1CCN(CC2CC2)[C@@H]2CS(=O)(=O)C[C@@H]21 77522132 UOEZJCBYMXVNAA-MOPGFXCFSA-N 400.500 1.879 0 50 HDAA COc1cccc(CNC(=O)Cn2ccn3nc(-c4ccccc4)c(CO)c3c2=O)c1 169752528 WRKUOSIKDKIVMH-UHFFFAOYSA-N 418.453 1.980 0 50 HDAA O=C(NCc1ccc(-c2cccc(Cl)c2)o1)c1cc2n(n1)C[C@H](O)CNC2=O 244817179 SVOWLGWSAKJRKP-CYBMUJFWSA-N 400.822 1.831 0 50 HDAA Cc1ccc(-n2nc(NC(=O)N3CCN(S(=O)(=O)NC(C)C)CC3)cc2C)cc1 252502977 UWDVFCGFZNFTMG-UHFFFAOYSA-N 420.539 1.881 0 50 HDAA COCCN1C[C@H](C(=O)NC2CCN(C(=O)NC3CCCCC3)CC2)CCC1=O 952976985 WEHZEYBNQAZDIC-MRXNPFEDSA-N 408.543 1.494 0 50 HDAA O=C(NCCc1csc(-c2ncccn2)n1)[C@H]1CC(=O)N(Cc2ccccn2)C1 952985041 ALSVQMOPKGDQLH-AWEZNQCLSA-N 408.487 1.703 0 50 HDAA O=C(COc1ccc(CN2C[C@@H](O)[C@H](Cc3ccccn3)C2)cc1)N1CCOCC1 1529102038 UQPHWVQNOFVXDY-DENIHFKCSA-N 411.502 1.355 0 50 HDAA Cn1c(=O)oc2ccc(S(=O)(=O)N3CCC[C@]4(CCc5cnc(N)nc54)C3)cc21 1704326022 RDVMUEULPMFMCN-IBGZPJMESA-N 415.475 1.172 0 50 HDAA Cc1nc(C(=O)N2C[C@H]3CN(C(=O)c4cc(CC(C)C)no4)C[C@@]3(CO)C2)cs1 1772711982 ZCWSFAMPEIXDHY-VBKZILBWSA-N 418.519 1.845 0 50 HDAA O=C(CCn1ccc(O)nc1=O)N[C@H]1CC[C@@H](NC(=O)c2cccc3cc[nH]c23)C1 1857673524 UXTUMZPWRBKANA-LSDHHAIUSA-N 409.446 1.288 0 50 HDAA Cc1cccc(N2CCN(CC(=O)N[C@H]3C[C@H]4CO[C@@H](C(C)C)CN4C3)CC2)c1 1857732779 GKPXAAYMTGSGSB-ILWGZMRPSA-N 400.567 1.731 0 50 HDAA Cn1c(=O)n(C)c2cc(S(=O)(=O)NC(C)(C)c3noc(C(C)(C)C)n3)ccc21 1875256120 RZTQKVIGGWRSMK-UHFFFAOYSA-N 407.496 1.771 0 50 HDAA CCc1cc(O)nc(-c2cccc(NC(=O)c3cnn(C)c3S(C)(=O)=O)c2)n1 1875263693 RAKMMDPYRJVNDZ-UHFFFAOYSA-N 401.448 1.801 0 50 HDAA Cc1nn(C)cc1CCNC(=O)[C@@H]1CCC[C@H]1C(=O)NCCc1cn(C)nc1C 2325715864 BNEMNQJOVAQLBA-RTBURBONSA-N 400.527 1.204 0 50 HDAA O=C(CCCN1C(=O)c2cccc3cccc(c23)C1=O)N[C@@H]1CCS(=O)(=O)C1 4173978 TYXUHCSEWITPJD-CQSZACIVSA-N 400.456 1.519 0 50 HDAA CN(C)S(=O)(=O)N(CC(=O)N1CCN(c2ccccc2)CC1)c1ccccc1 4759328 SGZJIRNNEDZRSD-UHFFFAOYSA-N 402.520 1.648 0 50 HDAA CC1CCN([C@@H]2CC(=O)N(c3ccc(S(=O)(=O)N4CCOCC4)cc3)C2=O)CC1 19496829 LITMOHOBEYXEOL-GOSISDBHSA-N 421.519 1.071 0 50 HDAA CN1CCN(C(=O)CSc2nnc(CC(=O)Nc3ccc(Cl)cc3)n2C)CC1 19928679 DTVDGLRHUMNKFE-UHFFFAOYSA-N 422.942 1.516 0 50 HDAA Cn1c(=O)c2c(nc(CN3CCOCC3)n2Cc2c(F)cccc2Cl)n(C)c1=O 20026507 VTOPQWDZPCSPOW-UHFFFAOYSA-N 421.860 1.107 0 50 HDAA C[C@H](C(N)=O)N(C)C(=O)c1coc(CN2CCN(C/C=C/c3ccccc3)CC2)n1 67785039 ZPLHMTVKLOOPEF-RCMYXZNBSA-N 411.506 1.451 0 50 HDAA CCCCN1CCN([C@H](C(=O)NCc2cn(C)nc2C)c2ccccc2)C(=O)C1=O 77427348 KGOKOTHVBUGHSW-IBGZPJMESA-N 411.506 1.557 0 50 HDAA Cc1cccc(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N(C)CCn3cccn3)[C@H]4C2=O)c1 77484913 FRKNICHBIKISTL-MXBUBSDBSA-N 406.486 1.632 0 50 HDAA COc1cccc(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N(C)Cc3nccn3C)[C@H]4C2=O)c1 77517336 IAHSSTVMTNWBKT-UDSSINMLSA-N 422.485 1.369 0 50 HDAA O=C(c1cccc(C(F)(F)F)c1)N1CCN(CCN2CCS(=O)(=O)CC2)CC1 170607379 UNXYQKKDHWAGKZ-UHFFFAOYSA-N 419.469 1.194 0 50 HDAA COC(=O)Cn1cc(CN2CC[C@](c3nc(C4CC4)no3)(C(F)(F)F)C2)nn1 952895039 XSEAKSLCWVLLBA-HNNXBMFYSA-N 400.361 1.418 0 50 HDAA CC(=O)Nc1c[nH]nc1[C@@H]1CCCN(C(=O)CN2C(=O)CCOc3ccccc32)C1 1319942061 XXEWAFZCZDWVDF-OAHLLOKOSA-N 411.462 1.890 0 50 HDAA C[C@@H]1c2nncn2CCN1C(=O)c1cccc(C(=O)N2CCn3cnnc3[C@H]2C)c1 1320699103 WKKSXPJKKUIIGM-ZIAGYGMSSA-N 406.450 1.304 0 50 HDAA CCn1nc(CC(C)C)cc1C(=O)N1C[C@@H]2CN(Cc3cnc[nH]3)C[C@]2(CO)C1 1772814989 XHLVZODWMGHMTL-HRAATJIYSA-N 400.527 1.391 0 50 HDAA C[C@@]1(C(=O)N2CCC3(CCc4c(O)nc(N5CCOCC5)nc43)CC2)CCCNC1 1857721807 HCOUWHMSWTUEBM-OAQYLSRUSA-N 415.538 1.215 0 50 HDAA Cc1ncn(-c2ccc(NC(=O)[C@@H]3CC4(CCS(=O)(=O)CC4)CN3)cc2)c1C 2325840807 RLZCJVSSRRBLRV-SFHVURJKSA-N 402.520 1.985 0 50 HDAA COc1ccc(OC[C@@H](O)CN2CCC(O)CC2)c(CN(C)C2CCOCC2)c1 11838428 CECVDPLJYATLPA-FQEVSTJZSA-N 408.539 1.502 0 50 HDAA COc1ccc(OC[C@H](O)CN2CCC(O)CC2)c(CN(C)CC2CCOCC2)c1 12386900 WNMGAKKXUYICDC-OAQYLSRUSA-N 422.566 1.750 0 50 HDAA O=c1/c(=C/c2ccncc2)sc2n1CN(c1ccc(Br)cc1)CN=2 13282875 JRXTWKTUMBHMNM-DHDCSXOGSA-N 401.289 1.951 0 50 HDAA O=C(NCc1ccccn1)C1CCN(C(=O)Cc2n[nH]c(=O)c3ccccc23)CC1 13569506 GCBAEGFVHNHGDM-UHFFFAOYSA-N 405.458 1.416 0 50 HDAA CC(=O)Nc1ccc(S(=O)(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 19681850 IVKNIOUZRQXDOT-UHFFFAOYSA-N 417.487 1.880 0 50 HDAA O=C(CCn1nnnc1CN1CCOCC1)N1CCC[C@@H](c2ccc(Cl)cc2)C1 20452496 OIRZNLWLINAEFG-QGZVFWFLSA-N 418.929 1.955 0 50 HDAA COc1cc(CN(C)CCN2CCCC2)ccc1OC[C@@H](O)CN1CCOCC1 22920142 CTZWAIZQZJRJPB-FQEVSTJZSA-N 407.555 1.295 0 50 HDAA CCS(=O)(=O)c1ncc(CN(C)Cc2ccc3nsnc3c2)n1CCOC 55108716 JNBCGPCJPFZYRH-UHFFFAOYSA-N 409.537 1.960 0 50 HDAA COc1ccc(S(=O)(=O)NCCNc2ccc(-n3nc(C)cc3C)nn2)cc1C 65364724 FSBUJPLTPALRTR-UHFFFAOYSA-N 416.507 1.987 0 50 HDAA COc1cccc(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N3CCSCC3)[C@@H]4C2=O)c1 77458573 JIXMHDUQGQXGAA-OOSNJVJTSA-N 400.500 1.553 0 50 HDAA CCC(CC)CN1C[C@]23C=C[C@H](O2)[C@@H](C(=O)N(C)CCn2ccnc2C)[C@@H]3C1=O 77469800 VFUDGDFLBPRRIT-JYLXEMOASA-N 400.523 1.868 0 50 HDAA CCCCN1CCN([C@H](C(=O)N[C@H]2CC[C@H](O)CC2)c2ccccc2)C(=O)C1=O 244584333 CXLPBVHFQMVDMT-FHWLQOOXSA-N 401.507 1.618 0 50 HDAA Cc1ccccc1[C@]1(CC(=O)N2CCN(C)[C@H](C)C2)CC(=O)N(CCN(C)C)C1=O 299758747 OYBPZDYXTUJALO-JPYJTQIMSA-N 414.550 1.106 0 50 HDAA O=C1O[C@H](c2ccccc2)Cc2cc(C(=O)N3CCO[C@H](c4nn[nH]n4)C3)ccc21 732091597 KDHYVZDGVZTZIQ-ROUUACIJSA-N 405.414 1.868 0 50 HDAA NC(=O)COc1cccc(C(=O)N2C[C@H](O)[C@H](Cc3ccnc4ccccc34)C2)c1 1704353285 DLLJHEAOQQNZNW-UTKZUKDTSA-N 405.454 1.775 0 50 HDAA Cc1cc(O)ccc1C(=O)NC[C@H]1CN(CC2CCN(CC3CC3)CC2)C(=O)CO1 1857677592 IXQKNMTXFZEQQW-FQEVSTJZSA-N 415.534 1.780 0 50 HDAA Cc1cccnc1C(=O)N1CCC2(CCc3c(O)nc(N4CCOCC4)nc32)CC1 1857721290 IICQRTPQPUZKNP-UHFFFAOYSA-N 409.490 1.842 0 50 HDAA CC(C)[C@@H](C(=O)N1CCCN(c2ncnc3[nH]cnc23)CC1)N1C[C@H](C)O[C@H](C)C1 1875263923 RELYDSFVHSWIJK-JZXOWHBKSA-N 415.542 1.525 0 50 HDAA O=C(C[C@@H]1CCCS1(=O)=O)NCC1(NC(=O)COc2ccccc2)CCCC1 1875344393 JEUGZUPTHXEKOR-KRWDZBQOSA-N 408.520 1.578 0 50 HDAA C[C@]1(C(=O)NC[C@H](NC(=O)[C@@H]2CCc3ccccc32)C2CC2)CCCNS1(=O)=O 1875345265 UBRSAWCFKNVCFO-LVCYWYKZSA-N 419.547 1.199 0 50 HDAA O=C1NCCN(C(=O)[C@H]2C[C@@H]2C(=O)N2CCNC(=O)c3ccccc32)c2ccccc21 2325748493 GVKGNOWWNDLAHQ-IRXDYDNUSA-N 418.453 1.176 0 50 HDAA COc1ccc2c(c1)CCOC21CCN(C(=O)[C@@H]2CCc3nn(C)c(=O)n3C2)CC1 2356156358 XXXHYELOCCNGRP-MRXNPFEDSA-N 412.490 1.243 0 50 HDAA CN(C[C@H]1Cc2ccccc2O1)C(=O)Cn1nnnc1CN1CCc2ccccc2C1 20600526 QCZCKBORBAISGD-HXUWFJFHSA-N 418.501 1.694 0 50 HDAA COc1ccccc1/C=C/CN1CCNC(=O)[C@@H]1CC(=O)NCCc1ccccn1 55088305 HXJPAGVPYBYCHD-IEJURRBGSA-N 408.502 1.653 0 50 HDAA Cc1ccc(C)c(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N(C)Cc3nccn3C)[C@H]4C2=O)c1 77378341 ZJTXYMOGGYZZGP-UQWVPHONSA-N 420.513 1.978 0 50 HDAA O=C(CCNC(=O)[C@@H]1C[C@@H]1c1c(F)cccc1Cl)N[C@@H]1CCS(=O)(=O)C1 170636866 AIMGSFPXRFGGOU-GRYCIOLGSA-N 402.875 1.392 0 50 HDAA Cc1nc(NC(=O)[C@@H](C)N2C[C@@H](O)[C@H](N(C)CC(=O)OC(C)(C)C)C2)sc1C 242263461 XZKXKUQBNQMQFF-BPLDGKMQSA-N 412.556 1.406 0 50 HDAA COCc1ccc(CN2CCOc3ccc(CN4CCN(CCO)CC4)cc3C2)o1 299764508 IJIPVTRGSHUGOI-UHFFFAOYSA-N 415.534 1.931 0 50 HDAA COc1ccccc1N1CCN(C(=O)Nc2ccnn2[C@@H]2CCS(=O)(=O)C2)CC1 482811415 TVVFULZWCBVQLH-OAHLLOKOSA-N 419.507 1.605 0 50 HDAA C[C@]1(C2CCN(C(=O)[C@@H]3CC(c4cc(F)ccc4F)=NO3)CC2)NC(=O)NC1=O 746013396 XYPNJFDXRFISBQ-HNAYVOBHSA-N 406.389 1.295 0 50 HDAA CN1C[C@H]2CN(c3cc4c(nn3)CCN(C(=O)[C@H]3CCCCCC[C@H]3N)C4)C[C@H]2C1 952891028 SOEOWHLSPBSVMA-ZGXWSNOMSA-N 412.582 1.657 0 50 HDAA Cc1c(C(=O)N2CCC(CNC(=O)[C@@H]3CCCO3)CC2)sc2[nH]cnc(=O)c12 952970040 JINDDCBWKBXPBZ-ZDUSSCGKSA-N 404.492 1.440 0 50 HDAA CCOc1ccnc(N2CC[C@@H](O)[C@]3(CCCN(C(=O)c4cnc(C)[nH]4)C3)C2)n1 1857683390 RQHZBPPGQXMDTO-UZLBHIALSA-N 400.483 1.400 0 50 HDAA O=C(O)[C@H]1CN(Cc2ccc(OCCN3CCOCC3)cc2)CC12CCOCC2 1857687087 KJUMALOSKHWTBV-HXUWFJFHSA-N 404.507 1.711 0 50 HDAA Cn1ccc(C(=O)N2CCO[C@@H](CN3CCC(O)CC3)[C@@H]2c2ccccc2)cc1=O 1857736300 OEZMQZGXORNFQR-UNMCSNQZSA-N 411.502 1.424 0 50 HDAA O=C(NCCCn1ccnn1)[C@H]1CC(=O)N(c2nnc(Cc3ccccc3)s2)C1 1857739991 COKSFDOWCHWCIM-HNNXBMFYSA-N 411.491 1.280 0 50 HDAA COC(=O)[C@H]1C[C@@H](n2cc([C@@H]3CCC[C@H]3O)nn2)CN1C(=O)[C@H]1C2C[C@@H]3C1[C@@H]3C2 2325872917 RQDQYYSYGMRWMG-JJXMWYRTSA-N 400.479 1.124 0 50 HDAA Cc1nc(C)c(C(=O)N=[S@@]2(=O)CCCN(C(=O)[C@@]3(F)CCOC3)CC2)s1 2332239112 XCDMRFUJOXPTAM-AKJBCIBTSA-N 403.501 1.729 0 50 HDAA COc1ccc([C@H]2NC(=O)CO[C@@H]2c2nc(C)nn2C2CCN(C)CC2)cc1OC 2356151763 YEQHQKPNTAXJPW-UXHICEINSA-N 415.494 1.799 0 50 HDAA Cc1cn2c3c(=O)n(Cc4ccccc4F)c(=O)n(C)c3nc2n1CCCN(C)C 10233394 BPFWUXOWNBYIPY-UHFFFAOYSA-N 412.469 1.597 0 50 HDAA Cc1cc(C)n(-c2ccc(N3CCN(S(=O)(=O)Cc4ccccc4)CC3)nn2)n1 13009514 XZGWOBNPLMBISY-UHFFFAOYSA-N 412.519 1.931 0 50 HDAA O=C(COc1ccc(Cl)cc1)NCCn1cc(C(=O)N2CCSCC2)nn1 20271863 DSCLOMYPMNLQEG-UHFFFAOYSA-N 409.899 1.316 0 50 HDAA COc1ccccc1/C=C/CN1CCNC(=O)[C@H]1CC(=O)N(C)Cc1ccccn1 55284741 WKQWPGKYOUITSM-FHVRUZERSA-N 408.502 1.953 0 50 HDAA CCS(=O)(=O)N1CCC[C@@H](C(=O)NCc2ccc(CN3CCCC3=O)cc2)C1 67612584 WHAYRWTXNBCWQG-GOSISDBHSA-N 407.536 1.487 0 50 HDAA O=C(N[C@@H]1CCNC1=O)C1CCN(c2nc(-c3ccccc3)nc3c2CCC3)CC1 67947944 LPPZEDQCYJENHW-LJQANCHMSA-N 405.502 1.853 0 50 HDAA CCc1nc(CN(C)C(=O)[C@H]2[C@@H]3C=C[C@@]4(CN(c5ccc(F)cc5)C(=O)[C@@H]24)O3)no1 77287228 BYODNKOUCPNJKY-HEFCWWFNSA-N 412.421 1.716 0 50 HDAA COc1cccc(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N(C)Cc3ccno3)[C@H]4C2=O)c1 77440796 CHMITRONMBFIPR-WEMPKCCASA-N 409.442 1.624 0 50 HDAA Cc1nc(CCN(C)C(=O)[C@H]2[C@@H]3C=C[C@@]4(CN(c5ccc(F)cc5)C(=O)[C@H]24)O3)no1 77537561 SSFULABKSIKZJJ-DBSRCYSRSA-N 412.421 1.505 0 50 HDAA O=C([C@@H]1[C@@H]2C=C[C@@]3(CN(CCOc4ccccc4)C(=O)[C@H]13)O2)N1CCC(F)CC1 77553599 ZELZOTYQICIHLZ-WEMPKCCASA-N 400.450 1.808 0 50 HDAA COc1ccc(Br)c(S(=O)(=O)N2CCC[C@H]([C@H](O)C(=O)O)C2)c1 225617345 HZDHPUJCQDNXNI-ZANVPECISA-N 408.270 1.304 0 50 HDAA CC(C)(C)[C@H](NC(=S)NCCCN1CCOCC1)c1nc(-c2nc[nH]n2)no1 749744166 LXHCTVDBWSBPJY-GFCCVEGCSA-N 408.532 1.128 0 50 HDAA Cc1sc(=O)n(CC(=O)Nc2ccn(CC(=O)N(C)C)n2)c1-c1ccc(F)cc1 751244220 ROQWHBXCTTYOBE-UHFFFAOYSA-N 417.466 1.948 0 50 HDAA O=C1CCCCCN1CCC(=O)N1CCCN(C(=O)Cc2ccccc2O)CC1 1529152651 NGYJMOFAZVIYFB-UHFFFAOYSA-N 401.507 1.788 0 50 HDAA COc1cc(-c2onc(N(C)C)c2C(=O)NCC2(O)CCN(C)CC2)ccc1F 1704337689 YJVMRZMUDNTQGT-UHFFFAOYSA-N 406.458 1.742 0 50 HDAA CNC(=O)CN1C[C@H]2CN(C(=O)c3nsnc3C)C[C@@]2(CCc2ccccc2)C1 1772707337 YGVZNSPIQKABMD-LAUBAEHRSA-N 413.547 1.599 0 50 HDAA CCN=c1ccnc(N2CC[C@@H]3C[C@@H](N4CCOCC4)CC[C@@]3(C(=O)OCC)C2)[nH]1 1857689236 KJXLSHKLSZBKME-KGVIQGDOSA-N 417.554 1.591 0 50 HDAA COc1ccc(C(=O)N2C[C@H](O)[C@@H](N(C)C)C2)cc1Oc1cccc(OC)c1CN 1857704363 OXKRHZMYHNNJNV-IRXDYDNUSA-N 415.490 1.702 0 50 HDAA CCCC[C@H](N)C(=O)N1CCC2(CCc3c(O)nc(N4CCOCC4)nc32)CC1 1857737565 SPWZDXNDCVPNCO-INIZCTEOSA-N 403.527 1.343 0 50 HDAA O=C1CO[C@H](C(=O)N2CCN(CC(F)(F)F)CC2)[C@@H](c2ccccc2Cl)N1 2100477081 CXHWFMILOAVALQ-CABCVRRESA-N 405.804 1.603 0 50 HDAA Cc1ccc(CNc2nc3c(c(=O)[nH]c(=O)n3C)n2C[C@@H](O)COC(C)C)cc1 633305 OAFKOWJKOKLNKP-OAHLLOKOSA-N 401.467 1.130 0 50 HDAA COC(=O)Cn1nc(-c2ccc(C)c(S(=O)(=O)N(C)C)c2)c2ccccc2c1=O 891821 GUQQKMNETHZPBJ-UHFFFAOYSA-N 415.471 1.795 0 50 HDAA CC1CCN(S(=O)(=O)c2cccc(C(=O)N(C)[C@H]3CCS(=O)(=O)C3)c2)CC1 4196767 WYDXADGFMRSXAJ-INIZCTEOSA-N 414.549 1.366 0 50 HDAA COc1cccc(N2CCN(C(=O)C[C@@H]3C(=O)NCCN3CCC(C)C)CC2=O)c1 14978691 IPPGJYHTRGVXNG-LJQANCHMSA-N 416.522 1.107 0 50 HDAA O=C1CC[C@H](C(=O)N2CCOc3ccccc3C2)CN1CCCN1CCOCC1 20780774 QXQFYWKHBGYRGO-IBGZPJMESA-N 401.507 1.369 0 50 HDAA COC(=O)CN(C)C(=O)C[C@H]1C(=O)NCCN1Cc1ccccc1C(F)(F)F 55358743 KNSSYFBYWGKTSK-AWEZNQCLSA-N 401.385 1.027 0 50 HDAA Cc1n[nH]c(C)c1CCN(C)C(=O)C[C@@H]1C(=O)NCCN1Cc1ccccc1F 55568927 FDQOGPBXIBXQDD-LJQANCHMSA-N 401.486 1.557 0 50 HDAA Cc1sc2nc(CCN)nc(N3CCN(c4ncccc4C(N)=O)CC3)c2c1C 65406330 GLYNGAXWMUHBHX-UHFFFAOYSA-N 411.535 1.630 0 50 HDAA CCNc1ncc(C(=O)N2CCC(N3CCC[C@@H](C(=O)NC4CC4)C3)CC2)cn1 71771002 SCRYWJSVTSKYLD-OAHLLOKOSA-N 400.527 1.504 0 50 HDAA C[C@H](OC[C@H]1CCCCO1)C(=O)N1CCc2nc(NS(C)(=O)=O)sc2C1 328592202 MIPJVWGRWNQLKN-NWDGAFQWSA-N 403.526 1.374 0 50 HDAA C[C@@H]1Cc2ccccc2N1C(=O)[C@@H]1CCCC[C@@H]1C(=O)N1CCO[C@H](c2nn[nH]n2)C1 732767053 SGMFMKIEQQQRFM-XZKMEQPCSA-N 424.505 1.884 0 50 HDAA O=C1CC[C@@H](CN(Cc2ccncc2)S(=O)(=O)c2ccc(-c3cc[nH]n3)o2)N1 952861034 XBILYJNHOAGFCP-AWEZNQCLSA-N 401.448 1.534 0 50 HDAA CN(C(=O)CN1CCN(C2CCN(C(=O)c3ccncc3)CC2)CC1)c1ccccc1 1506396984 QBYGRKWUDSIFDS-UHFFFAOYSA-N 421.545 1.967 0 50 HDAA CCn1nccc1C(=O)N[C@@H]1C[C@@H](C(=O)NCCOc2ccccc2)CC[C@H]1O 1875250041 SYJICZQWMCRJHZ-KVSKMBFKSA-N 400.479 1.358 0 50 HDAA CC[C@@H](O)C(F)(F)C(=O)N[C@@H]1CCC[C@@H]1NC(=O)Cc1c(F)cncc1Cl 2325860822 WDEDECWYZQQQBS-BFHYXJOUSA-N 407.820 1.976 0 50 HDAA O=C(N[C@H](Cc1ccc2c(c1)OCO2)C(=O)N1CCC[C@@H]1C(=O)O)c1ccccc1 2989274 VKWBFVCJTYULKJ-IAGOWNOFSA-N 410.426 1.832 0 50 HDAA C[C@H](NC(=O)C(=O)N[C@H](C)[C@@H]1COc2ccccc2O1)[C@H]1COc2ccccc2O1 12383346 KEUUMAZYNPYVIQ-GOFCXKROSA-N 412.442 1.676 0 50 HDAA biogenic O=C(NCCCc1ccc(F)cc1)[C@@H]1CCC(=O)N(CCCN2CCOCC2)C1 19757472 DUUVLONMZAYKPP-LJQANCHMSA-N 405.514 1.835 0 50 HDAA O=C(NCCOc1ccccc1)c1coc(CN2CCN(c3ncccn3)CC2)n1 23192495 DQXVKHKXZOGQID-UHFFFAOYSA-N 408.462 1.596 0 50 HDAA COc1ccc2nc(NC(=O)Cn3nc(N4CCOCC4)ccc3=O)sc2c1 61717650 QXPBPJVKDVNYPG-UHFFFAOYSA-N 401.448 1.337 0 50 HDAA O=C([C@H]1[C@@H]2C=C[C@@]3(CN(Cc4ccc(F)cc4)C(=O)[C@H]13)O2)N1CCc2n[nH]cc2C1 77385805 HXOFFQNZHKALOC-OZIGNCPNSA-N 408.433 1.416 0 50 HDAA Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C(=O)O)CC2)c1 100797788 UTLUUMFZLMVQSL-CAMMJAKZSA-N 420.531 1.883 0 50 HDAA CCOc1ccc(CNC(=O)C(=O)Nc2ccc(N3CCOCC3)cn2)cc1F 225688487 DMMXMYVNWICYNK-UHFFFAOYSA-N 402.426 1.711 0 50 HDAA Cc1c(Br)c(C(=O)NN2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]5C[C@H]54)[C@H]3C2=O)nn1C 239306140 GLYFZMQSXUISGI-IQMQYZSSSA-N 405.252 1.189 0 50 HDAA O=C(Nc1cccc(S(=O)(=O)N2C[C@@H]3C[C@H]4C[C@H]3[C@H]2[C@@H]4O)c1)c1cncs1 408521114 JACRXSFHEUUYOJ-BNHUKEAWSA-N 405.501 1.785 0 50 HDAA COc1ccc2[nH]c(CNC(=O)C3CCN([C@H]4CCS(=O)(=O)C4)CC3)cc2c1 670441940 CFYUYOBSEADHMB-KRWDZBQOSA-N 405.520 1.692 0 50 HDAA CN(CCC(=O)Nc1cccc(NC(=O)c2cccnc2)c1)[C@H]1CCS(=O)(=O)C1 952972998 MQIQJOMIUFTFLJ-SFHVURJKSA-N 416.503 1.781 0 50 HDAA O=C(CSc1nc(-c2ccco2)n[nH]1)N1CCC2(CC1)C[C@@](O)(CO)CCO2 1704338213 OWTXKXZFRKJGJM-QGZVFWFLSA-N 408.480 1.052 0 50 HDAA Nc1ncc(CN2C[C@@H]3CN(CCOc4ccc(Cl)cc4)C[C@]3(CO)C2)cn1 1772807235 SIOKPMHJVGAOIO-OXJNMPFZSA-N 403.914 1.517 0 50 HDAA O=C1CN(C[C@@H]2COCCN(C(=O)Cc3csc(-c4ccccc4)n3)C2)CCN1 1857709345 SBSRBTJDQZGJLV-INIZCTEOSA-N 414.531 1.259 0 50 HDAA CCc1nc(O)ccc1C(=O)N1CCO[C@@H](CN2CCOCC2)[C@@H]1c1cccnc1 1857724676 MUAJLTRXEAWNEN-FPOVZHCZSA-N 412.490 1.659 0 50 HDAA O=C1CC[C@H](N2Cc3c(cccc3-n3cc(CCc4ccccc4)nn3)C2=O)C(=O)N1 1875355982 JCORMDQTWVQFQB-FQEVSTJZSA-N 415.453 1.814 0 50 HDAA N=c1[nH]c(C(=O)N2CCC3(CCc4c(O)nc(N5CCOCC5)nc43)CC2)cs1 1940195456 FCUYCJUFONLBTD-UHFFFAOYSA-N 416.507 1.008 0 50 HDAA Cc1nn(-c2nn[nH]n2)c(C)c1NC(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1C 2100540085 CJZDKKZNWVNNBF-OAHLLOKOSA-N 410.438 1.680 0 50 HDAA C=CC(=O)NCC(=O)N1CCCC[C@H]1c1nn(C)cc1I 2325786992 SDFLYFGNKPKYNS-NSHDSACASA-N 402.236 1.381 0 50 HDAA C=CC(=O)N1CCC[C@H](C(=O)N[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)C1 2325889291 IRZKXHUMAKUWCQ-LSDHHAIUSA-N 411.549 1.442 0 50 HDAA CN(C)C(=O)c1ccc2c(c1)N(C)[C@@H](CC(=O)N[C@H]1CC[C@H](C(=O)O)CC1)CO2 2356167804 CNSBQSNTVQPONH-BPUTZDHNSA-N 403.479 1.735 0 50 HDAA NC(=O)C1(N2CCCCC2)CCN(C(=O)CSc2nc3ccccc3[nH]2)CC1 1118576 CQUTWFIMAOEGFZ-UHFFFAOYSA-N 401.536 1.987 0 50 HDAA CC(=O)OC(OC(C)=O)[C@@]12C=C[C@@H](O1)[C@H]1C(=O)N(c3ccc(C(C)=O)cc3)C(=O)[C@H]12 4818663 MEVYGRCLEKIXBW-VWXURSGXSA-N 413.382 1.155 0 50 HDAA CCOc1ccc(CN2CCNC(=O)[C@H]2CC(=O)N(C)CC2CCOCC2)cc1 12459602 WIZMDCQMBSVJMT-HXUWFJFHSA-N 403.523 1.661 0 50 HDAA CCN(CCn1cccn1)C(=O)C[C@@H]1C(=O)NCCN1Cc1ccc(F)c(F)c1 13593160 NGQYDCCNALKHSG-GOSISDBHSA-N 405.449 1.401 0 50 HDAA CC(=O)NCCNC(=O)c1cc(NCc2cccs2)cc(S(=O)(=O)N(C)C)c1 14733137 PBHBMYANGWPAMD-UHFFFAOYSA-N 424.548 1.476 0 50 HDAA CN(C)S(=O)(=O)N1CCN(C[C@@H](O)COc2ccc(-c3ccccc3)cc2)CC1 20029609 FDOBVQBRYSREKP-HXUWFJFHSA-N 419.547 1.517 0 50 HDAA Cc1ccc(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N(C)Cc3nccn3C)[C@H]4C2=O)cc1C 77319215 ICJQRSWUNREKRF-FVLCUVFVSA-N 420.513 1.978 0 50 HDAA O=C1C2(c3ccccc3)CN(CCCO)CC1(c1ccccc1)CN(CCCO)C2 91328702 KTOWHSBTEFFPRK-UHFFFAOYSA-N 408.542 1.828 0 50 HDAA Cc1cc(CN2CCN(C)CC2)c(C)c(CN2C[C@@H]3CN(C)C[C@]3(C(=O)O)C2)c1 96162654 AHSYFNMQXZFBEI-GMAHTHKFSA-N 400.567 1.499 0 50 HDAA CN(C)Cc1cc(NC(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)ccc1Cl 225623490 NRHUSZBMQZWPAS-UHFFFAOYSA-N 401.854 1.600 0 50 HDAA Cc1cc(NS(=O)(=O)c2ccc(NC(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C(=O)O)cc2)no1 225750491 AXMOQMWHHSRTLD-XOUADPBQSA-N 421.431 1.601 0 50 HDAA COc1ccccc1O[C@@H]1O[C@@H]2CO[C@H](c3ccco3)O[C@@H]2[C@@H](O)[C@@H]1NC(C)=O 229894173 WZDFNGJCDFNXKR-MPRNQXESSA-N 405.403 1.372 0 50 HDAA CS[C@H]1CN(S(=O)(=O)CCC(=O)OCc2ccccc2)C[C@H]1N1CCCC1 253370553 SKHGGXJYVIMRPW-MSOLQXFVSA-N 412.577 1.961 0 50 HDAA CS(=O)(=O)NC[C@H]1CCC[C@@H]1NC(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1 253395375 XUQNFEOUOLJDDW-YPMHNXCESA-N 423.944 1.159 0 50 HDAA COc1ncccc1C(=O)NC[C@H]1CN(C2CCN(C3CCC3)CC2)C(=O)CO1 299755348 HUMXHXZDBRWUEM-KRWDZBQOSA-N 402.495 1.064 0 50 HDAA Cn1nnc(-c2cccc(NC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@@H]34)c2)n1 334162693 XCUYUNFMPRKELB-OFQRWUPVSA-N 401.496 1.541 0 50 HDAA N=c1nc(CN[C@@H](Cc2ccccn2)c2ccc(Br)cc2)[nH]c(=N)[nH]1 475723205 MCQLGHZXNDORKF-AWEZNQCLSA-N 400.284 1.928 0 50 HDAA O=C(CN1CCCS1(=O)=O)NC1(c2cccc(C(F)(F)F)c2)CCOCC1 486901109 UDEYEBBPYCTZSF-UHFFFAOYSA-N 406.426 1.863 0 50 HDAA COc1ccc(CN(C)C(=O)CCN(C)[C@H]2CCS(=O)(=O)C2)c2cccnc12 824645599 YGGWMASYKYIORZ-INIZCTEOSA-N 405.520 1.711 0 50 HDAA COc1cccc(-c2noc(CCCC(=O)N3C[C@@H]4COCC[C@]4(CO)C3)n2)c1 1772703174 WAGDSMFGUSFOBM-IIBYNOLFSA-N 401.463 1.925 0 50 HDAA CCOC(=O)[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CCN(C(=O)c1cncnc1O)C2 1857692867 YBDZGHAVDLXECU-WHSLLNHNSA-N 418.494 1.079 0 50 HDAA Cc1nnc(N2C[C@H](C(=O)N3CCC(O)(Cc4ccccc4)CC3)CC2=O)s1 1857720809 LGOARYZFLNSSHN-MRXNPFEDSA-N 400.504 1.796 0 50 HDAA Cc1c(C(=O)NC2CN(C(=O)COC[C@H]3CCCOC3)C2)cnn1[C@@H](C)C(C)C 2325827475 HKOAESQTWZBRMO-RDJZCZTQSA-N 406.527 1.792 0 50 HDAA COC1(c2ccccc2)CCN(S(=O)(=O)CC[C@@H]2CCS(=O)(=O)C2)CC1 2356155431 GRZGICBYBJITNL-INIZCTEOSA-N 401.550 1.779 0 50 HDAA CCOC(=O)N1CCN(C(=O)CN(CC)S(=O)(=O)c2ccc(Cl)cc2)CC1 5069123 NUCKRIZQVQBHOU-UHFFFAOYSA-N 417.915 1.651 0 50 HDAA Cc1nn(C)c(C)c1CN(Cc1cnc(S(C)(=O)=O)n1C[C@H]1CCCO1)C1CC1 11816865 ZSQFLNWBDBTKFC-GOSISDBHSA-N 421.567 1.981 0 50 HDAA COc1ccc(CC(=O)NCCn2cc(C(=O)Nc3ccccc3)nn2)cc1OC 14952129 AFTOQUYZMHJFBO-UHFFFAOYSA-N 409.446 1.907 0 50 HDAA C[C@H](CNC(=O)Cn1nnnc1CN1CCc2ccccc2C1)Oc1cccnc1 15073802 QLMMCSJZYBGBEG-MRXNPFEDSA-N 407.478 1.210 0 50 HDAA COC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OC)[C@@H]1c1cc(OC)c(OC)c(OC)c1 16448006 BQAMOHYYSCVYEY-DICRZQGBSA-N 410.419 1.098 0 50 HDAA Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)CSc3ncn[nH]3)cc2)n1 18084780 DKNCXSNWEAZAQL-UHFFFAOYSA-N 419.492 1.743 0 50 HDAA O=C1C[C@@H](N2CCN(c3ncccn3)CC2)C(=O)N1c1ccc(Br)cc1 19335907 JRECVJDPVMANEX-OAHLLOKOSA-N 416.279 1.693 0 50 HDAA COc1ccc(C(=O)N2CCN(c3cc(-n4cccn4)nc(C)n3)CC2)cc1OC 67620866 BTOYSKSITSQPLB-UHFFFAOYSA-N 408.462 1.950 0 50 HDAA CN(Cc1nccn1C)C(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(Cc4ccc(F)cc4)C(=O)[C@H]13)O2 77506210 KHNRSKYYGMVUJW-FUOQNJDISA-N 410.449 1.500 0 50 HDAA CCCCCCn1cc(S(=O)(=O)N2CC[C@H](C)C[C@H]2[C@@H](C)O)c(O)nc1=O 253535989 UPPDUKZQWHGVIQ-ZNMIVQPWSA-N 401.529 1.699 0 50 HDAA Nc1ncc(CN2CCC(N3C[C@H](COc4ccc(F)cc4)OCC3=O)CC2)cn1 299790471 BVVDDIDJPVBBHE-LJQANCHMSA-N 415.469 1.469 0 50 HDAA O=C(O)[C@@H]1CC[C@@H](C(=O)N[C@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)O1 432091513 FYLRXFFOAQPBPV-AVGNSLFASA-N 402.325 1.439 0 50 HDAA CC(C)[C@@H](NC(=O)c1cccs1)C(=O)NC1CCN(S(=O)(=O)C2CC2)CC1 440865034 SHYMWWMOURNVTK-MRXNPFEDSA-N 413.565 1.575 0 50 HDAA O=C(CCC(=O)N1CC[C@H](c2ccc3c(c2)OCO3)[C@@H](O)C1)Nc1nncs1 1615748520 BPOHWZLRKVGNHA-OLZOCXBDSA-N 404.448 1.363 0 50 HDAA CNC(=O)Cc1nc(-c2ccn3nccc3c2)n(Cc2ccc(OC)c(OC)c2)n1 1857675100 KXZHQBOXSYNCNA-UHFFFAOYSA-N 406.446 1.947 0 50 HDAA CCN=c1[nH]c(C)c(C(=O)N[C@H](C)CNC(=O)c2scc(OC)c2OC)s1 1875338822 NBORCUYEXMSBKA-SECBINFHSA-N 412.537 1.932 0 50 HDAA Cc1ccccc1OC[C@@H](O)Cn1c(SC(C)C)nc2c1c(=O)[nH]c(=O)n2C 850903 NVQSEQBVUMYANE-ZDUSSCGKSA-N 404.492 1.672 0 50 HDAA O=C1C[C@@H](c2ccc(S(=O)(=O)N3CCO[C@@H](COc4ccccc4)C3)cc2)CN1 4727368 BMIOAFSJAAKSSD-IEBWSBKVSA-N 416.499 1.759 0 50 HDAA CN1CCN(S(=O)(=O)c2ccc(NC(=O)[C@@H]3CC=CC[C@H]3C(=O)O)cc2)CC1 4801830 OZFLFESHOSDAAE-IAGOWNOFSA-N 407.492 1.228 0 50 HDAA Cn1c(=O)c2c(-c3ccccc3)n(NC(=O)COc3ccccc3)cc2n(C)c1=O 4808434 SKHHTAUVXBHMNB-UHFFFAOYSA-N 404.426 1.855 0 50 HDAA Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)[C@H]3CC=CC[C@@H]3C(=O)O)CC2)c1 6741133 CULVBXDNGNCMOW-IRXDYDNUSA-N 406.504 1.803 0 50 HDAA CC(C)c1nccn1CCCNC(=O)[C@H]1CCC(=O)N(CCN2CCOCC2)C1 11663275 JXGCQEJVASZUMB-SFHVURJKSA-N 405.543 1.084 0 50 HDAA Cc1c(C(=O)NC[C@@H]2COCCO2)cnn1-c1ncc2c(n1)-c1ccccc1CC2 12028531 MJTGTKTVCJCFPC-QGZVFWFLSA-N 405.458 1.882 0 50 HDAA CN(C(=O)c1cccc(OC2CCN(S(=O)(=O)N(C)C)CC2)c1)[C@@H]1CCOC1 12073725 BAADOCZWVJUVOK-MRXNPFEDSA-N 411.524 1.197 0 50 HDAA COC(=O)CCC(=O)N1CC(=O)N(CC(C)C)C[C@@H](OCc2cccc(F)c2)C1 14532641 YJYKMRKOWXRKON-GOSISDBHSA-N 408.470 1.991 0 50 HDAA Cc1cc(C)nc(CCNCc2cccc(OC[C@H](O)CN3CCOCC3)c2)n1 19794508 ZXBKQPRLGLINJK-HXUWFJFHSA-N 400.523 1.498 0 50 HDAA CC(C)S(=O)(=O)c1ncc(CN2CCN(CCO)CC2)n1Cc1ccccc1F 67723763 LFMADBSBCLBKPK-UHFFFAOYSA-N 424.542 1.363 0 50 HDAA CC(C)c1nc(CNC(=O)[C@@H]2CCCN(C3CCN(C(=O)C4CC4)CC3)C2)no1 71747199 HYARZGWTNUTCQT-MRXNPFEDSA-N 403.527 1.922 0 50 HDAA Cc1ccn(-c2ccc(N3CCN(S(=O)(=O)c4cc(F)ccc4F)CC3)nn2)n1 72119155 PYQMHPGBPYFUDR-UHFFFAOYSA-N 420.445 1.760 0 50 HDAA Cc1ccc(-c2nnc(CN3CC[C@@H]4[C@@H](CCC(=O)N4CCCCO)C3)o2)n1C 72424301 VQSOXUCMMLNISA-DLBZAZTESA-N 401.511 1.969 0 50 HDAA CCOc1cc(CNC(=O)C(=O)NCc2nnc3ccccn23)ccc1OC(F)F 240871390 IKCQDGGJKWGHEF-UHFFFAOYSA-N 419.388 1.662 0 50 HDAA COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N(C)[C@@H]3CCCC[C@H]3O)C2)cc1 243932135 BTHVEGRRLOFDSG-KFKAGJAMSA-N 410.536 1.858 0 50 HDAA Cc1cc(C(=O)NC[C@@H]2CN(CC3CCN(CC4CC4)CC3)C(=O)CO2)cnc1C 299783762 UYTDCVZTJNCAOY-OAQYLSRUSA-N 414.550 1.778 0 50 HDAA C[C@H](NC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 748846248 KSWOULCMLAJCIF-KKUMJFAQSA-N 405.499 1.914 0 50 HDAA O=C(NC12C[C@@H]3C[C@H](C1)CC(n1ncnn1)(C3)C2)c1ccccc1N1CCOCC1 828182392 UZJWOXFXDVWMIC-RGMRCXJASA-N 408.506 1.988 0 50 HDAA O=C(CN1c2cccc3cccc(c23)S1(=O)=O)Nc1ccc(-n2nccn2)nc1 913005164 KUIDPQIDPCWGDW-UHFFFAOYSA-N 406.427 1.963 0 50 HDAA O=C1C[C@H](C(=O)N(CCN2CCOCC2)Cc2ccco2)CN1Cc1ccccn1 952982463 PQCADQVYHPXTOL-SFHVURJKSA-N 412.490 1.384 0 50 HDAA Cc1cc(C(F)(F)F)nc(N2CCN(C(=O)CSc3nnc(N)s3)CC2)n1 1506422420 PMQCWIDGPUFIGI-UHFFFAOYSA-N 419.458 1.678 0 50 HDAA O=C1CN(C(=O)c2ccccn2)CCCNC(=O)c2cc(Cl)ccc2OCCN1 1857702187 CURVUZHRAVGFGC-UHFFFAOYSA-N 416.865 1.506 0 50 HDAA Cc1nc(N(C)C)sc1C(=O)N[C@@H]1CCN(C(=O)Cc2nncs2)C[C@H]1C 1875361793 BQSSBYKJUMTJIF-ZYHUDNBSSA-N 408.553 1.579 0 50 HDAA Cc1nn(C)c2c1N(CC(=O)Nc1cc(-n3cnnn3)ccc1Cl)CCS2 2325747941 BKGCHFFULFIIEA-UHFFFAOYSA-N 404.887 1.908 0 50 HDAA COc1cccc(C[C@H]2[C@H]3C[C@H](CN(C(=O)c4cnn[nH]4)C3)[C@@H]3CCCC(=O)N23)c1 2356154873 NQMWOWDKNOOVMR-LPWQTFTOSA-N 409.490 1.898 0 50 HDAA CC(=O)OC(OC(C)=O)[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3cc(Cl)ccc3C)C(=O)[C@@H]12 1167145 CKCPYUOCXXQMIH-ASKKUZCQSA-N 419.817 1.914 0 50 HDAA COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)[C@@H](C)O 4764001 FOULQMVLUUSLJT-MNEFBYGVSA-N 414.458 1.563 0 50 HDAA Cc1nonc1C(=O)N1CC(=O)N(C2CCCCC2)C[C@@H](OCc2ccccn2)C1 14746084 LEABCSKFKNOECW-SFHVURJKSA-N 413.478 1.976 0 50 HDAA Cn1c(=O)c2c(nc(CN3CCOCC3)n2Cc2cccc3ccccc23)n(C)c1=O 20026491 YRVLRNBTKSECHN-UHFFFAOYSA-N 419.485 1.467 0 50 HDAA CN(CCN1CCOCC1)C(=O)c1cc(COc2ccc(-n3cncn3)cc2)on1 23339742 ZJJQUAHOLVVDQD-UHFFFAOYSA-N 412.450 1.239 0 50 HDAA COc1cccc(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N(C)CCn3cccn3)[C@@H]4C2=O)c1 77321015 AAUXSVSTXXTWFS-VAWZGJIGSA-N 422.485 1.332 0 50 HDAA COc1ccc(S(=O)(=O)N2CCN(c3cc(-n4ccc(C)n4)ncn3)CC2)cc1 82230518 OZCGDEQFQAUWJY-UHFFFAOYSA-N 414.491 1.490 0 50 HDAA Cc1ccccc1C[C@H](C)N(C)C(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 225564195 JDGTXDORCPRNJP-RDJZCZTQSA-N 405.520 1.550 0 50 HDAA Cn1c(=O)n(C)c2cc([C@@H](CC(N)=O)c3c(O)n[nH]c3Cc3ccccc3)ccc21 252500654 SZVYQUXJLLFLAM-OAHLLOKOSA-N 405.458 1.904 0 50 HDAA O=S(=O)(NCc1ccc(CN2CC[C@H](O)C2)cc1)c1cccc2c1OCCCO2 1212460059 MPAFSCIYMZCISS-SFHVURJKSA-N 418.515 1.893 0 50 HDAA Cc1cc2[nH]cc(C(=O)N[C@H]3COC[C@H]3Cc3ccnc4ccccc34)c(=O)n2n1 1704297190 LVWLURVPXNBBQZ-BEFAXECRSA-N 403.442 1.867 0 50 HDAA CCOCc1nnc(N2C[C@@H](C(=O)NCc3nc4ccc(F)cc4[nH]3)CC2=O)s1 1857740937 UDNBBCGFVROJLY-JTQLQIEISA-N 418.454 1.759 0 50 HDAA CCCN1CCC[C@@]2(CCc3c2nc(-c2cccnc2)[nH]c3=NCc2nc(=N)[nH][nH]2)C1 1875250362 RXMGVWQGVDVHPL-JOCHJYFZSA-N 419.537 1.793 0 50 HDAA COc1cccc(CNCCc2cccnc2)c1OC[C@@H](O)CN1CCOCC1 11821266 ABHQXNWHOWEZGU-FQEVSTJZSA-N 401.507 1.494 0 50 HDAA CCn1c(CN2CCN(c3cccc(Cl)c3)CC2)nc2c1c(=O)n(C)c(=O)n2C 12538457 FIWHAVAHSGZKOE-UHFFFAOYSA-N 416.913 1.429 0 50 HDAA Cc1ccc(CCN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N(C)Cc3cnn(C)c3)[C@H]4C2=O)cc1 77540732 YZJPAQSGIAYMMG-XARGGIHNSA-N 420.513 1.712 0 50 HDAA C[C@@H](C(=O)N1CCC2(CCC(=O)N(CCCn3ccnc3)C2)CC1)N1CCCC1 95519630 QSWIMBWSRLYZGW-IBGZPJMESA-N 401.555 1.989 0 50 HDAA O=C(c1ccc(N2[C@H]3CC[C@@H]2C[C@H](O)C3)nc1)N1CCC(N2CCOCC2)CC1 102780206 RQPKZUZJPLICEH-PMOLBWCYSA-N 400.523 1.511 0 50 HDAA O=C(Cc1cccc(O)c1)NC[C@@H]1CN(CC2CCN(CC3CC3)CC2)C(=O)CO1 299755519 DUEIAWAJBLGHGM-OAQYLSRUSA-N 415.534 1.400 0 50 HDAA Cc1ccccc1SC1CCN(C(=O)c2cc3n(n2)C[C@H](O)CNC3=O)CC1 426410403 BDPQXWJQZSCZML-CQSZACIVSA-N 400.504 1.693 0 50 HDAA CS(=O)(=O)c1ccc(CNC(=O)N2CCC[C@@H](Cn3ccnn3)C2)cc1Cl 429157872 BJXDCJWBNBXHPD-CQSZACIVSA-N 411.915 1.957 0 50 HDAA O=C1NC(=O)[C@]2(CCCN(C(=O)c3ccc4c(c3)C[C@H](c3ccccc3)OC4=O)C2)N1 790235547 SCYBRQDGQYHFFR-WZONZLPQSA-N 419.437 1.955 0 50 HDAA COc1cccc(-c2nccn2[C@@H]2CCN(C)C2=O)c1OCCN1CCOCC1 1857671803 QSUULRKCVGFGIE-QGZVFWFLSA-N 400.479 1.673 0 50 HDAA Cn1cnc(C(=O)N2CCC(N3C[C@@H](COc4ccc(F)cc4)OCC3=O)CC2)c1 1857678289 LUMHPGSUBFORMN-SFHVURJKSA-N 416.453 1.470 0 50 HDAA Cc1cnc(CNC(=O)[C@H]2[C@@H]3CC[C@H]2CN3C(=O)c2cc3c(nc2O)CCCC3)cn1 1857699891 CFYCHMSPURVZGZ-RYGJVYDSSA-N 421.501 1.931 0 50 HDAA Cn1cc(C(=O)N2CCCC[C@@H](Cn3cc(-c4ccc(C(=O)O)cn4)nn3)C2)cn1 1875326556 LGCCJWXPBWLQBC-CQSZACIVSA-N 409.450 1.714 0 50 HDAA CC(C)C[C@H](C(N)=O)C(=O)NC[C@H]1CCC[C@@H]1NC(=O)c1ccc2c(c1)CCO2 1875344427 KNYTYGSLHHFMJR-KURKYZTESA-N 401.507 1.784 0 50 HDAA CCN1C[C@H](C(=O)N2CCCC[C@H](NC(=O)[C@H]3CCC[C@H](C(N)=O)C3)C2)CCC1=O 2325864170 IFRIELWOZPBBFE-FJIDUMEYSA-N 420.554 1.034 0 50 HDAA O=C1CC[C@@H](N2Cc3ccc(CNC(=O)OC[C@H]4CC5CC4C5)cc3C2=O)C(=O)N1 2325901090 TVZTVPWXLBLABD-FDNMGUDYSA-N 411.458 1.720 0 50 HDAA CC(C)CC[C@@]1(C(=O)O)CN(C(=O)c2cnc(N3CCOCC3)nc2)CC[C@@H]1O 2356160175 GZRPICIAIHXCTH-OXJNMPFZSA-N 406.483 1.027 0 50 HDAA O=C(NCc1ccc2c(c1)OCO2)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 1473130 WKJZMURVUCJSPC-MRXNPFEDSA-N 418.471 1.803 0 50 HDAA C[C@@H](O)[C@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)OCc1ccccc1 4829517 WMHMDYZXLLZIMG-BEFAXECRSA-N 400.431 1.522 0 50 HDAA CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccccn3)CC2)N[C@@H]1c1ccccc1 9049238 PPHWWJCJQDCCCJ-RBUKOAKNSA-N 407.474 1.610 0 50 HDAA COc1cccc(C(=O)N2CCc3cc(S(=O)(=O)N4CCOCC4)ccc32)c1 12421767 QNLMKHRAJVMTLR-UHFFFAOYSA-N 402.472 1.919 0 50 HDAA CN1CCC(N(C)Cc2cnc(S(=O)(=O)CC3CC3)n2C[C@@H]2CCCO2)CC1 12434309 WFHGOISMBAXIQR-IBGZPJMESA-N 410.584 1.772 0 50 HDAA COC(=O)c1c(NC(=O)CN2CCN(C(=O)[C@H]3CCCO3)CC2)sc2c1CCC2 35802756 SNAVJJZYVBAELW-CQSZACIVSA-N 421.519 1.285 0 50 HDAA COc1cccc(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N(C)Cc3cc(C)no3)[C@@H]4C2=O)c1 77421438 ZMNYCELQMDIITC-GJPOJAMWSA-N 423.469 1.932 0 50 HDAA Cc1ccc(S(=O)(=O)N2C[C@@H](O)C[C@@H]2C(=O)Nc2ccc(C(=O)O)cc2)cc1 139148502 DMIQUECZNRBEEE-DOTOQJQBSA-N 404.444 1.456 0 50 HDAA O=C(N[C@H]1CNC[C@@H]1O)C1CCN(c2nc(-c3ccccc3)nc3c2CCC3)CC1 212577937 RXKFSBDPJLCISW-PMACEKPBSA-N 407.518 1.298 0 50 HDAA CC[C@H](C)N1C(=O)[C@H]2[C@H](C1=O)[C@]1(N[C@H]2[C@H](C)O)C(=O)Nc2c(C)cc(Cl)cc21 245255695 KYBSGTWCHDEYMC-MDKFTBPISA-N 405.882 1.548 0 50 HDAA CCn1c(-c2cc(C)oc2C)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 328589628 GVGCUKBFVOPGAW-INIZCTEOSA-N 423.539 1.806 0 50 HDAA CS(=O)(=O)NC[C@H]1CCCCN1C(=O)C[C@H]1CN(Cc2ccccc2)CCO1 468503076 WPJFNCQFFSUVBO-MOPGFXCFSA-N 409.552 1.208 0 50 HDAA CC(=O)N1CCC(CC(=O)NCC2CCOCC2)(N2Cc3ccccc3C2=O)CC1 888105485 CZUASJKPSYSEKN-UHFFFAOYSA-N 413.518 1.956 0 50 HDAA CCOc1ccc(C)cc1S(=O)(=O)N1CCC(N2CCN(CCO)CC2)CC1 952861469 GZKBGMVFDADSAO-UHFFFAOYSA-N 411.568 1.157 0 50 HDAA Cc1nc2nc(CN3CCC[C@@H](CNC(=O)c4scnc4C)C3)cc(O)n2n1 952967485 JVOMEUWAPUXFDX-ZDUSSCGKSA-N 401.496 1.545 0 50 HDAA CN1CCC[C@]2(CO)CCN(C(=O)C3CCN(C(=O)c4ccccn4)CC3)C[C@@H]12 1704297740 VZROHFBKISIPCX-DENIHFKCSA-N 400.523 1.239 0 50 HDAA CC12CCN(CC1)C(=O)CCCc1cn(nn1)CCOc1ccc(cc1)CC(=O)N2 1704323490 PYGZLURJLLUDGL-UHFFFAOYSA-N 411.506 1.733 0 50 HDAA CCOc1ccc2nc(N3C[C@H](C(=O)NCCCc4nn[nH]n4)CC3=O)sc2c1 1857732878 LEZULHGDOXNIGO-LLVKDONJSA-N 415.479 1.310 0 50 HDAA CCc1ccc([C@@H](O)CN(Cc2ccccc2)C(=O)Cn2ccc(=O)n(C)c2=O)cc1 1875262636 BZEDXXKLYUAKFE-NRFANRHFSA-N 421.497 1.872 0 50 HDAA CC(C)C[C@H](C(N)=O)C(=O)NC[C@H]1CCC[C@H]1NC(=O)c1ccc2c(c1)CCO2 1875344428 KNYTYGSLHHFMJR-KZNAEPCWSA-N 401.507 1.784 0 50 HDAA O=C(c1n[nH]c2c1CCC2)N1CCC2(CCc3c(O)nc(N4CCOCC4)nc32)CC1 1940195288 IZVOEGGIEGKXMG-UHFFFAOYSA-N 424.505 1.351 0 50 HDAA Cc1ccc([C@@H](O)CCN(C)S(=O)(=O)c2cnc3nc(O)nc(O)c3c2)s1 2325825796 BWULYZCLGAFNCQ-LBPRGKRZSA-N 410.477 1.550 0 50 HDAA O=S(=O)(c1ccc2nc[nH]c2c1)N1CCc2nc(C3CCOCC3)nn2CC1 2356146086 QRDOUYSBVVSXLU-UHFFFAOYSA-N 402.480 1.295 0 50 HDAA O=C(NC[C@@H]1[C@@H](c2ccccc2)[C@]12CN(Cc1cccnc1)C[C@H]2O)c1ncc[nH]1 2356165390 GLZQIBLSUNIEHE-GLHSZLCASA-N 403.486 1.811 0 50 HDAA O=C(NCC(=O)N1CCN(c2cccc(Cl)c2)CC1)[C@@H]1COc2ccccc2O1 12324425 PDHRBELJKIEBNE-IBGZPJMESA-N 415.877 1.945 0 50 HDAA COc1cccc(-n2cc(CN(C)C(=O)Cn3nnnc3CN3CCCC3)cn2)c1 12707918 KUDDJTDRHSDETN-UHFFFAOYSA-N 410.482 1.122 0 50 HDAA O=C(CCn1nnnc1CN1CCOCC1)N1CCC(OCc2ccccc2)CC1 20999843 VGWJMYMWLFPCJX-UHFFFAOYSA-N 414.510 1.103 0 50 HDAA COc1cccc(CN2C[C@@H](C(=O)N3CCN(c4ncccn4)CC3)CCC2=O)c1 67804142 YSXVPEQXCSSYNN-SFHVURJKSA-N 409.490 1.573 0 50 HDAA Cc1nn(C)cc1S(=O)(=O)N1CCC[C@H](c2nccn2Cc2cccnc2)C1 95527258 NIGLLKPDHWKJGB-KRWDZBQOSA-N 400.508 1.937 0 50 HDAA O=C(NCCCc1nnc2ccccn12)[C@H]1CC(=O)N(c2n[nH]c3ccccc23)C1 169772788 VDBQSBJZGIEPQO-AWEZNQCLSA-N 403.446 1.708 0 50 HDAA O=C(CC[C@@H]1N=C(O)N(c2ccccc2)C1=O)NCCn1cnc2ccccc2c1=O 252495736 OYJKRCLREIIDFF-SFHVURJKSA-N 419.441 1.622 0 50 HDAA CC[C@H](C)C(=O)N1CCC[C@H](C(=O)N(CC(=O)N2CCCC2)C[C@H]2CCCO2)C1 252676557 XKVZVFIOSMHQPC-GBESFXJTSA-N 407.555 1.901 0 50 HDAA CCOC(=O)/C=c1/s/c(=C\c2ccsc2)c(=O)n1CC(=O)N1CCCC[C@H]1C 253416820 QXPOIDPVYWDVST-WADGLCJFSA-N 420.556 1.545 0 50 HDAA CN(Cc1cnn(C)c1)C(=O)C(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 328590070 HUBLWVZJGKPDBG-UHFFFAOYSA-N 403.914 1.813 0 50 HDAA Cc1nn(-c2ccc(F)cc2)c(C)c1CNS(=O)(=O)N1CCC[C@H](C(=O)O)C1 670463436 PCBCWVPVGYFSMU-AWEZNQCLSA-N 410.471 1.759 0 50 HDAA NC(=O)C1CCN(c2ccc(NC(=O)[C@H](O)[C@H](O)c3nc4ccccc4[nH]3)cc2)CC1 779619946 QMMQIPFOPJSIEQ-RBUKOAKNSA-N 423.473 1.298 0 50 HDAA O=C(NCc1csc(-c2cnccn2)n1)C1CCN([C@H]2CCS(=O)(=O)C2)CC1 827758285 NATOXDNZCCFCKS-HNNXBMFYSA-N 421.548 1.115 0 50 HDAA O=C(Cn1nc(-c2cccs2)ccc1=O)N1C[C@@H]2C[C@@H](C1)[C@@H]1CCCC(=O)N1C2 888088411 XTMAETCPHGYFQI-ZOBUZTSGSA-N 412.515 1.831 0 50 HDAA CCCn1cc(NS(=O)(=O)c2ccc(N3C[C@@H](C(=O)O)CC3=O)cc2)ccc1=O 920246247 ZJOKRFTVIYUWTL-ZDUSSCGKSA-N 419.459 1.497 0 50 HDAA O[C@H]1CN(Cc2cnc(N3CCOCC3)nc2)C[C@@H]1Cc1ccc2ccccc2n1 1615736144 VAEYRVFTDHRSFN-UGKGYDQZSA-N 405.502 1.897 0 50 HDAA CS(=O)(=O)N1C[C@@H]2CN(Cc3cnc(N)nc3)C[C@@]2(CCc2ccccc2)C1 1772805497 MEXYBMZOGIWZAO-ICSRJNTNSA-N 401.536 1.385 0 50 HDAA COc1ccc([C@@H]2[C@H](C(=O)N[C@H]3CC[C@H](O)CC3)C[C@@H]3CN(C)CC(=O)N23)cc1 1857690057 UKJAXHCKRNQMOF-YHMUCNLWSA-N 401.507 1.319 0 50 HDAA CCCN=c1ncc(-c2nccn2-c2c(C)nn([C@H]3CCS(=O)(=O)C3)c2C)c[nH]1 1857705045 PRCXDIXCDFWGSP-INIZCTEOSA-N 415.523 1.746 0 50 HDAA COc1ccccc1OCc1nc(-c2c(C)ncn2C)n([C@@H]2CCS(=O)(=O)C2)n1 1857739561 VUSOQSCDBAGXTC-CQSZACIVSA-N 417.491 1.934 0 50 HDAA Cc1nc(-c2cn(-c3ccc4c(c3)C(=O)N([C@@H]3CCC(=O)NC3=O)C4)nn2)cs1 1875357034 YIVKBVMRHLMPDB-MRXNPFEDSA-N 408.443 1.460 0 50 HDAA CC1(C)CC(=O)NC[C@H]1C(=O)N1CCC[C@H]2CN(C(=O)c3ccc4nn[nH]c4c3)C[C@H]21 1875358929 NIYYFECOLBMJOI-RLFYNMQTSA-N 424.505 1.183 0 50 HDAA CCCn1nc(CC(N)=O)nc1[C@H]1OCC(=O)N(C2CC2)[C@@H]1c1ccc(OC)cc1 2100478145 VCTGMVFCURTEQB-UXHICEINSA-N 413.478 1.528 0 50 HDAA CC(=O)NC[C@@H]1[C@@H](c2ccccc2)[C@]12CN(C(=O)c1cn3cccnc3n1)C[C@@H]2O 2356147709 LAJJOMJYQZPCBB-ITBLURSFSA-N 405.458 1.082 0 50 HDAA CCC[C@]1(C(=O)O)CCN(C(=O)CCCn2nnc(-c3ccc(F)cc3)n2)C[C@@H]1O 2356157631 ONQBFXNQQOMOAR-JXFKEZNVSA-N 419.457 1.724 0 50 HDAA COCCN1CCC[C@]2(CCCN2Cc2cc(=O)n3cc(Cl)ccc3n2)C1=O 2356159384 YFNKACCHHGGVJI-FQEVSTJZSA-N 404.898 1.951 0 50 HDAA Cc1ccc(S(=O)(=O)NCCn2cc(C(=O)NCCc3ccccc3)nn2)cc1 11788373 UXDWOBFTJPJFGY-UHFFFAOYSA-N 413.503 1.538 0 50 HDAA COCCC(=O)N[C@H](C)c1nnc2n1CCN(Cc1cc(OC)ccc1OC)CC2 12042804 XXCABKZKMQPFAD-OAHLLOKOSA-N 417.510 1.567 0 50 HDAA COc1ccc(S(=O)(=O)NC[C@H]2CCCN(C(=O)CCc3cnn(C)c3)C2)cc1 12052577 FJVQSPIVTOJUKJ-MRXNPFEDSA-N 420.535 1.578 0 50 HDAA CCOC(=O)c1cc(C2CC2)nc2c1c(=O)n(CC(=O)NC1CCCC1)c(=O)n2C 12410715 BZFYWHODXGEHGK-UHFFFAOYSA-N 414.462 1.208 0 50 HDAA COCCN1C(=O)N(CC(=O)OC)C(=O)C12CCN(CCc1ccccc1)CC2 14537212 QFAFGPWKWMIKDJ-UHFFFAOYSA-N 403.479 1.147 0 50 HDAA Cn1ncc(C(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c1-n1cccc1 30893084 UDCWVIQBQCPIEV-UHFFFAOYSA-N 417.466 1.497 0 50 HDAA CCOC(=O)N1CCN([C@H]2CCCN(C(=O)c3n[nH]c(=O)c4ccccc34)C2)CC1 55042018 CNCOSTMSZOQQGS-HNNXBMFYSA-N 413.478 1.302 0 50 HDAA O=C(NS(=O)(=O)Cc1ccc(Cl)nc1)c1ccccc1CN1CCOCC1 170617279 KJCFYQGXJGQFPM-UHFFFAOYSA-N 409.895 1.827 0 50 HDAA O=C(NCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)Nc1nnc(C(F)(F)F)s1 170624035 YXEAZXCECSRZIU-JBDRJPRFSA-N 401.370 1.486 0 50 HDAA CS(=O)(=O)Nc1ccc(C(=O)N2CCCN(c3ncnc4[nH]cnc34)CC2)cc1 242263308 XXYZBZLHEFUJKL-UHFFFAOYSA-N 415.479 1.077 0 50 HDAA COc1ccsc1C(=O)N1CCC[C@H](n2ncc(N3CCOCC3)cc2=O)C1 328606527 RXRAIMFLWZFYER-AWEZNQCLSA-N 404.492 1.627 0 50 HDAA Cc1ccc([C@@H](NC(=S)NCC(N)=O)c2cccc(S(C)(=O)=O)c2)c(C)c1 741871675 MYHURPXPEGLCEV-SFHVURJKSA-N 405.545 1.746 0 50 HDAA CCn1nc(CC(C)C)cc1C(=O)N1C[C@H]2CN(Cc3cnc[nH]3)C[C@]2(CO)C1 1772814993 XHLVZODWMGHMTL-IIBYNOLFSA-N 400.527 1.391 0 50 HDAA CS(=O)(=O)CCN1CC[C@H](O)[C@H](NC(=O)CCCc2ccc(Cl)cc2)C1 1857675534 CFQQYWMJWQNNDA-SJORKVTESA-N 402.944 1.259 0 50 HDAA O=C([C@H]1CCOC1)N1CCC(Cc2cn(Cc3cccs3)nn2)(C(=O)O)CC1 1875327304 UTYADWKUIXQDHV-AWEZNQCLSA-N 404.492 1.660 0 50 HDAA C[C@@H](CC(=O)N[C@H](CNC(=O)c1csc2nccn12)C1CC1)c1cnn(C)c1 2325823978 KGTWOQHLLDXKTO-SWLSCSKDSA-N 400.508 1.948 0 50 HDAA O=c1/c(=C/c2ccccn2)sc2n1CN(c1cccc(Br)c1)CN=2 1131552 YGMZBKUPYBWWHM-DHDCSXOGSA-N 401.289 1.951 0 50 HDAA O=C(CC[C@]1(Cc2ccc3c(c2)OCO3)CCC(=O)N1)NCCOc1cccnc1 12242728 IALHTGCPGXZUSL-JOCHJYFZSA-N 411.458 1.977 0 50 HDAA COc1cc(CN(C)Cc2ccn[nH]2)ccc1OC[C@@H](O)CN1CCSCC1 12300567 JIKPWBZOUFCKSU-SFHVURJKSA-N 406.552 1.839 0 50 HDAA Cn1cnnc1SCCNCc1ccc(OC[C@H](O)CN2CCCCC2)cc1 12718903 IBHSJXBHXBXFDY-GOSISDBHSA-N 405.568 1.923 0 50 HDAA O=C(N[C@H]1C[C@H]2C(=O)N[C@H](Cc3ccc(O)cc3)C(=O)N2C1)OCc1ccccc1 14732248 IVKBGHRTSQIAOF-UHOSZYNNSA-N 409.442 1.329 0 50 HDAA Cc1nc[nH]c1CN1CC(=O)N(CC2CCOCC2)C[C@@H](OCc2cccnc2)C1 20867080 DWDYZNXHKWBILJ-FQEVSTJZSA-N 413.522 1.769 0 50 HDAA COc1ccccc1/C=C/CN1CCNC(=O)[C@@H]1CC(=O)NCCCn1cccn1 55357950 CIBYGNSICNZTIZ-AMGQUURNSA-N 411.506 1.302 0 50 HDAA CC(=O)c1cn(CC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)c2ccccc12 61721686 ZEVFREKOKXLZFY-MRXNPFEDSA-N 403.504 1.175 0 50 HDAA COc1ccc(CCN2C(=O)[C@@H](CC(=O)N[C@H](CO)c3ccccc3)N=C2O)cc1 252537488 LIZPLNWXIPCZFS-RTBURBONSA-N 411.458 1.602 0 50 HDAA COc1cccc(C(=O)N2CCc3nn(Cc4cccnc4)c(=O)cc3C2)c1OC 263615633 DIEPMBZUTXHFAA-UHFFFAOYSA-N 406.442 1.902 0 50 HDAA CCOC(=O)c1c[nH]nc1S(=O)(=O)NCCNc1ncc(Cl)cc1Cl 443502548 QYZNXQQNDYJSLZ-UHFFFAOYSA-N 408.267 1.679 0 50 HDAA Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1NC(=O)c1ccccc1-c1nc[nH]n1 1506398034 SCYPGGUUOZTPLZ-ZDUSSCGKSA-N 400.464 1.897 0 50 HDAA COc1ccc(N2C[C@H](C(=O)N(CCO)Cc3cncn3C)CC2=O)cc1Cl 1704356581 ZVALYMOLBCJRCG-CYBMUJFWSA-N 406.870 1.456 0 50 HDAA CCOCCC(=O)N1C[C@H]2CN(Cc3cc4c(cc3Cl)OCO4)C[C@]2(CO)C1 1772706055 LQUVIRDFKCCTEW-FOIQADDNSA-N 410.898 1.748 0 50 HDAA CN(C)c1nc(N2CC[C@H](N(C)C)C2)c2c(n1)C1(CC2)CCN(C(=O)C2CC2)CC1 1857686615 DROGIZFJUDXGEY-KRWDZBQOSA-N 412.582 1.899 0 50 HDAA Cc1nn(CC2CC2)c(C)c1S(=O)(=O)N1CCC[C@@H](CNC(=O)C(F)(F)F)C1 1875259963 INZAHMUNMHQWKM-AWEZNQCLSA-N 422.473 1.989 0 50 HDAA Cn1nncc1S(=O)(=O)Nc1cccc(NS(=O)(=O)Cc2ccccc2)c1 1875316952 KTGIYUSFNMCGMD-UHFFFAOYSA-N 407.477 1.558 0 50 HDAA Cc1c(C(=O)N[C@H](C)C(=O)N2CCS(=O)(=O)CC2)cnc2c(Cl)cccc12 1875317308 UGAOCMNTLPFQNB-GFCCVEGCSA-N 409.895 1.572 0 50 HDAA COC(C)(C)[C@H](NC(=O)c1cncc(F)c1)c1cn(-c2cncc(C(=O)O)c2)nn1 1875325131 ROOUGYFLRONLCF-MRXNPFEDSA-N 414.397 1.791 0 50 HDAA O=C(NC[C@@H]1[C@@H](c2ccccc2)[C@]12CN(c1ncccn1)C[C@@H]2O)c1ccc(O)nc1 2100544869 MJNHGQXXLUNSDD-DNGCBJQESA-N 417.469 1.588 0 50 HDAA CN(Cc1nccn1C)C(=O)C[C@H]1C(=O)NCCN1Cc1ccccc1C(F)(F)F 11819206 IDNNVLDHQKMLPA-INIZCTEOSA-N 423.439 1.788 0 50 HDAA CC(=O)Nc1ccc(S(=O)(=O)NCCCc2nnc3nc(C)cc(C)n23)cc1 12390360 HINFTMVLOHQOKM-UHFFFAOYSA-N 402.480 1.611 0 50 HDAA O=C(Nc1ccc2c(c1)CN(S(=O)(=O)N1CCOCC1)CC2)c1ccncc1 12705395 QEYKOUQDRWXNNH-UHFFFAOYSA-N 402.476 1.269 0 50 HDAA COCCNC(=O)c1nn(CCC(C)C)c2c1CN(C(=O)c1cscn1)CC2 14540972 LLHHHIYSFIRBRL-UHFFFAOYSA-N 405.524 1.960 0 50 HDAA Cc1cc(CNC(=O)C[C@H]2C(=O)NCCN2Cc2cccc3ccccc23)nn1C 14971800 DTUFPYBJKKTBFP-NRFANRHFSA-N 405.502 1.889 0 50 HDAA CN(CC(=O)N1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1ccc(F)cc1 20294884 DIPFKNFATUARDI-UHFFFAOYSA-N 405.495 1.791 0 50 HDAA CCCN1CCN(CC(=O)Nc2sc(C(N)=O)c(C)c2C(=O)OC(C)C)CC1 23095772 SWTRNXUTTRYUMU-UHFFFAOYSA-N 410.540 1.687 0 50 HDAA Cc1cc(C)c(S(=O)(=O)NCCNc2cc(N3CCOCC3)nc(C)n2)c(C)c1 65364367 VWVKXMHLKJMHKU-UHFFFAOYSA-N 419.551 1.937 0 50 HDAA C[C@H](C(=O)Nc1ccc(S(=O)(=O)NC2CC2)cc1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 245237345 KLBUXRWFERUMJV-CSMYWGQOSA-N 419.503 1.630 0 50 HDAA COC(=O)CC1(NC(=O)Nc2nc(-c3ccccc3)ns2)CCS(=O)(=O)CC1 253427454 AIUJAGBBSDUSAG-UHFFFAOYSA-N 424.504 1.837 0 50 HDAA COC(=O)Cc1cccc(NC(=O)C(=O)NCCCC(=O)N2CCc3ccccc32)c1 479035575 PEERMARSJQAETA-UHFFFAOYSA-N 423.469 1.826 0 50 HDAA CCOC(=O)c1ccc(NC(=S)N2CCC[C@@H](n3cnc(C(N)=O)n3)C2)cc1 780189165 UPNVCGXELMNROR-CQSZACIVSA-N 402.480 1.588 0 50 HDAA O=C(NCC1CCN(S(=O)(=O)Cc2ccc(F)cc2F)CC1)[C@H]1CCCO1 952970126 UDWGGOPHZYUOSF-QGZVFWFLSA-N 402.463 1.802 0 50 HDAA NC(=O)CN1CCO[C@]2(CCN(Cc3cnc4c(-c5ccccc5)cnn4c3)C2)C1 1857687333 SGKZEIYIOYTFRA-QFIPXVFZSA-N 406.490 1.158 0 50 HDAA COC[C@@](C)(CNc1ncnc2nc(N(C)C)sc12)N1CCN(C(C)C)CC1 1875341595 ZHIIJJOJVCGPKZ-LJQANCHMSA-N 407.588 1.995 0 50 HDAA CO[C@@H]1C[C@@H](C(=O)NCCc2ccccc2F)CC[C@H]1NS(=O)(=O)N(C)C 2100541014 TVLDHXKMMRJUIN-USXIJHARSA-N 401.504 1.064 0 50 HDAA CC(C)[C@@H](NC(=O)C(=O)N[C@@H](c1nnc2n1CCC2)C(C)C)c1nnc2n1CCC2 2325723080 RZZAYOLMZSBYES-HZPDHXFCSA-N 414.514 1.089 0 50 HDAA COc1ccc2c(c1)[C@H](C)CN(C(=O)[C@@H]1Nc3ccccc3S(=O)(=O)N1)CC2 2325749407 BOAJORALTWORDI-BFUOFWGJSA-N 401.488 1.914 0 50 HDAA C[C@]1(O)CC2(CCN(C(=O)CCc3nc(-c4ccccc4F)no3)CC2)OC[C@@H]1O 2356146068 PYKZDOPCERJQFU-JXFKEZNVSA-N 419.453 1.702 0 50 HDAA CCOC(=O)N1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)CC1 4807142 MNYGOWWLHKBCNU-MRXNPFEDSA-N 409.508 1.388 0 50 HDAA COc1cccc(CN2CCNC(=O)[C@@H]2CC(=O)NCc2ccc(F)cc2)c1OC 11842944 RHDUVEPRSLBFKO-SFHVURJKSA-N 415.465 1.850 0 50 HDAA COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)N2CCC(OC)CC2)c(C)c1C 12198693 LYBVMDRVGZKGGN-IBGZPJMESA-N 403.523 1.640 0 50 HDAA COc1ccc(CN2C[C@H](n3cnnn3)C[C@H]2C(=O)NCCc2ccccc2)c(F)c1 12206735 DPLYRSPRJRPMBV-NQIIRXRSSA-N 424.480 1.995 0 50 HDAA CC1CCN(Cc2nnnn2CC(=O)N(Cc2ccncc2)C[C@H]2CCCO2)CC1 12306824 UWRKIWYDZADLNP-LJQANCHMSA-N 413.526 1.508 0 50 HDAA Cc1nc(CCNC(=O)C[C@H]2C(=O)NCCN2Cc2ccoc2)nc2c1CCCC2 13594099 OERKBRMJIPPCKV-IBGZPJMESA-N 411.506 1.306 0 50 HDAA Cc1cc(C(=O)NCCN2CCOCC2)c2c(-c3ccc4c(c3)OCO4)noc2n1 13641597 BRTFHSCINNQIQE-UHFFFAOYSA-N 410.430 1.989 0 50 HDAA O=C(NCCO)[C@H]1C[C@@H](C(=O)Nc2ccc3c(c2)CCC3)CN(Cc2ccncc2)C1 14540314 WRITUQMTKCXRJS-LEWJYISDSA-N 422.529 1.756 0 50 HDAA Cc1ncc2c(c1CNS(=O)(=O)N(C)C)CCN(C(=O)Cc1ccc(F)cc1)C2 14980021 WHUNJYBKCLUCEI-UHFFFAOYSA-N 420.510 1.553 0 50 HDAA CCNC(=O)c1cc(S(=O)(=O)N2CCN(c3ccccc3)CC2)ccc1OC 16661467 GZTZJRIGMBWMIF-UHFFFAOYSA-N 403.504 1.956 0 50 HDAA O=C(NCCCN1CCOCC1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 20590497 JWYWXEODPOUJGK-KRWDZBQOSA-N 415.943 1.332 0 50 HDAA COc1cccc(CN2CCC(CCO)CC2)c1OC[C@H](O)CN1CCOCC1 39379714 SGUPQHRCOCGMJX-HXUWFJFHSA-N 408.539 1.362 0 50 HDAA O=C1CN(C(=O)[C@H]2CCCN(C3CCOCC3)C2)CCN1Cc1ccccc1F 95352508 GHYFCZBOGUZGJL-SFHVURJKSA-N 403.498 1.888 0 50 HDAA O=c1c(Cl)c(N2CC[C@H](CO)[C@H](O)C2)cnn1-c1ccc(C(F)(F)F)cn1 170613064 RMCIGXNUIHHTIK-BXKDBHETSA-N 404.776 1.479 0 50 HDAA CCN1CCN(CCNC(=O)CCCc2nc(-c3ccc(OC)cc3)no2)CC1 225385405 HULBPIBCVPPMPA-UHFFFAOYSA-N 401.511 1.822 0 50 HDAA Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C(=O)O)CC2)c1 239310470 ILVWLSJPRFQHLQ-RNIPGJKVSA-N 418.515 1.659 0 50 HDAA CNC(=O)N1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCOC)CC1 253392800 GACJUOWFYZZJIS-UHFFFAOYSA-N 402.499 1.582 0 50 HDAA COc1ccc(CN2C(=O)[C@@H](CCC(=O)N[C@H](CO)CCSC)N=C2O)cc1 253535657 AOKTYIFAFMAFTA-GOEBONIOSA-N 409.508 1.330 0 50 HDAA C[C@@H](NC(=O)Cn1nc(Cc2ccccc2)c2ccccc2c1=O)c1nc(N)n[nH]1 426737377 JAROIATXRHOONE-CYBMUJFWSA-N 403.446 1.565 0 50 HDAA CS(=O)(=O)NC[C@@H]1CCCCN1S(=O)(=O)c1cnn(Cc2ccccc2)c1 477171254 ZXVHYVHPACYMLJ-INIZCTEOSA-N 412.537 1.024 0 50 HDAA CCc1cc(N2CCC(NC(=O)CN3C(=O)[C@@H](C)Oc4ccccc43)CC2)ncn1 480134139 FLUNNXDQPSPVIJ-OAHLLOKOSA-N 409.490 1.938 0 50 HDAA O=S(=O)(NC[C@H](c1ccccn1)N1CCOCC1)c1ccc2nc(O)sc2c1 670444874 LCRQNYGOEBGZAF-MRXNPFEDSA-N 420.516 1.749 0 50 HDAA O=C(CCc1cc(Cl)no1)N1C[C@@H]2CN(C(=O)c3cncc(F)c3)C[C@]2(CO)C1 1772709847 NVEMKZJGOVBOBS-YJYMSZOUSA-N 422.844 1.388 0 50 HDAA COc1ccccc1C(=O)N1C[C@@H]2CN(C(=O)Cc3csc(C)n3)C[C@@]2(CO)C1 1775978592 GADXWYTXVGKUGM-BTYIYWSLSA-N 415.515 1.596 0 50 HDAA CC(C)S(=O)(=O)N1CCOC2(CCN(C(=O)c3n[nH]c4c3CCCC4)CC2)C1 1857703320 YXVKIKRJCJKMSP-UHFFFAOYSA-N 410.540 1.334 0 50 HDAA CCN1C[C@H](C(=O)N2CCCC[C@@H](NC(=O)c3cc(N)ccc3F)C2)CCC1=O 2325863965 BGXQBSMKMXIZJA-GDBMZVCRSA-N 404.486 1.777 0 50 HDAA CC(=O)NS(=O)(=O)c1ccc(NC(=O)[C@@H]2CC(Cl)=CC[C@H]2C(=O)O)cc1 12379548 OUXLSZIPAALAOZ-ZIAGYGMSSA-N 400.840 1.683 0 50 HDAA COc1cc(C(C)=O)ccc1OCc1cc(C(=O)N(C)C[C@@H]2COCCO2)no1 12593204 SNTHUUFPLGQETE-MRXNPFEDSA-N 404.419 1.952 0 50 HDAA O=C1CN(C(=O)[C@H]2CCOC2)C[C@@H](OCc2ccccn2)CN1Cc1ccccc1 14537183 RXZKJXZQFZOGMH-FPOVZHCZSA-N 409.486 1.874 0 50 HDAA O=C1CC[C@@H](C(=O)N2CC(=O)N(C3CCCCC3)C[C@@H](OCc3cccnc3)C2)N1 14543246 CQJUJQKOJDTGGQ-OALUTQOASA-N 414.506 1.249 0 50 HDAA O=C1CC[C@@H](C(=O)N2CCC(Cn3cccn3)CC2)CN1CCCN1CCOCC1 19740461 GUJBBUCKKIEJGD-HXUWFJFHSA-N 417.554 1.083 0 50 HDAA COc1cc(CNCCc2ccncc2)ccc1OC[C@H](O)CN1CCOCC1 20256273 OMCNCQVIMIQQGY-HXUWFJFHSA-N 401.507 1.494 0 50 HDAA O=C1CN([C@@H]2c3ccccc3C3(CCN(C(=O)c4cccs4)CC3)[C@H]2O)CCN1 20452731 CNWZZHGKUUIZAN-UXHICEINSA-N 411.527 1.770 0 50 HDAA Cc1cc(Cl)c(S(=O)(=O)N2CCN(c3ccccn3)CC2)cc1OCC(N)=O 35350920 QRMKRAPBJOBMQV-UHFFFAOYSA-N 424.910 1.418 0 50 HDAA COc1ccc(NC(=O)N2CCN(c3cc(N4CCN(C)CC4)ncn3)CC2)cc1 72437135 MBJQMFDKLQOZSB-UHFFFAOYSA-N 411.510 1.591 0 50 HDAA CC(=O)OC(OC(C)=O)[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3ccc(C)c(Cl)c3)C(=O)[C@@H]12 229853197 GOZBVPWWAWKVGE-ASKKUZCQSA-N 419.817 1.914 0 50 HDAA Cc1ccc(NS(=O)(=O)c2ccc(C(=O)O[C@H]3CCC(=O)NC3=O)cc2)cc1 798586615 CEFBEZGUHCWYIY-INIZCTEOSA-N 402.428 1.758 0 50 HDAA O=C(Cn1cnnc1O)N1CC[C@@](c2nc(-c3cccnc3)no2)(C(F)(F)F)C1 952891605 AOJCXDWUVVIKRA-OAHLLOKOSA-N 409.328 1.161 0 50 HDAA Cc1ccc(CN2CCNC(=O)[C@H]2CC(=O)Nc2ccc(Oc3nn[nH]n3)cc2)cc1 952985219 UFROQBDASUNEKH-GOSISDBHSA-N 421.461 1.630 0 50 HDAA COC[C@@H]1CCCN(S(=O)(=O)NCCn2nc(-c3ccccc3)ccc2=O)C1 1506416752 DYCGBPGHQFVMIP-MRXNPFEDSA-N 406.508 1.103 0 50 HDAA Cc1cccc(Cn2ncc(C)c2NC(=O)CCN(C)[C@@H]2CCS(=O)(=O)C2)c1 1529126335 CLISEXGDHKSYFF-GOSISDBHSA-N 404.536 1.996 0 50 HDAA O=C(c1cnccn1)N1CCC(N2C[C@H](COc3ccc(F)cc3)OCC2=O)CC1 1857672840 IJZVVPDLBVCIQD-GOSISDBHSA-N 414.437 1.527 0 50 HDAA CN(C)S(=O)(=O)N1CCC2(CC1)CC(=O)N(C/C=C/c1ccccc1)CCO2 1857694968 NFPYRYDMKLFFBY-RMKNXTFCSA-N 407.536 1.590 0 50 HDAA CN1CC[C@]2(C(=O)NCCCn3ccnc3)CCCN(Cc3nccs3)[C@H]2C1 1857698711 FNERUHXTWBGSFJ-FXAWDEMLSA-N 402.568 1.832 0 50 HDAA CS(=O)(=O)NCCNC(=O)C[C@H]1CCCN(c2nc3ccc(Cl)cc3o2)C1 1857712168 MIIVARIKOYYHJW-GFCCVEGCSA-N 414.915 1.753 0 50 HDAA COc1cccc(CN2CC[C@@]34OCCCN3C(=O)C[C@@H]24)c1OCCCN(C)C 1857741425 SBHWQKRITBVQTK-KNQAVFIVSA-N 403.523 1.949 0 50 HDAA Cc1nc2c(c(=NCCc3csc(=N)[nH]3)[nH]1)CC[C@]21CCCN(C(=O)C2CC2)C1 1875244564 OESWMIZNSKFELR-NRFANRHFSA-N 412.563 1.947 0 50 HDAA CN(Cc1nnnn1CC1CC1)[C@H]1CCCC[C@@H]1N(C)Cc1nnnn1CC1CC1 2325737706 IEWFTOWTIXRUBP-ROUUACIJSA-N 414.562 1.355 0 50 HDAA O=C(NC[C@H]1CC2(CCNCC2)C(=O)O1)c1cn2cccc(Br)c2n1 2325853891 GFISQKCVCVJCNU-LLVKDONJSA-N 407.268 1.512 0 50 HDAA Cc1nc(CCNC(=O)C[C@H]2C(=O)NCCN2CCc2ccccc2)sc1C 12206944 FSNZMRSLURUTFG-SFHVURJKSA-N 400.548 1.852 0 50 HDAA O=C1CN(C(=O)c2cccnc2)C[C@H](OCc2ccncc2)CN1CC1CCOCC1 14748264 FFKQPBFVWSTNJK-OAQYLSRUSA-N 424.501 1.773 0 50 HDAA O=C1N[C@@H](COCc2ccccc2)C(=O)N2C[C@@H](NCc3ccc(F)c(F)c3)C[C@@H]12 14748680 MPZKFNFZFFHKRT-VDGAXYAQSA-N 415.440 1.739 0 50 HDAA Cc1nccn1CCN(C)C(=O)C[C@H]1C(=O)NCCN1Cc1c(F)cccc1Cl 19148428 QZWBYHUHJZIVLC-SFHVURJKSA-N 421.904 1.833 0 50 HDAA CCOC(=O)N1CCN([C@@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)CC1 19530613 NFVPJKACZAQYSF-CQSZACIVSA-N 410.268 1.855 0 50 HDAA COc1ccc(NC(=O)C(=O)NCCN2CCN(C(=O)c3ccc(C)cc3)CC2)cc1 19832581 LJGTUODHIYLZLK-UHFFFAOYSA-N 424.501 1.516 0 50 HDAA COc1ccccc1[C@H]1CN(CCNC(=O)[C@@H]2CNC(=O)C2)Cc2ccccc2O1 20537023 VKNSTGKQDMVXQM-LAUBAEHRSA-N 409.486 1.883 0 50 HDAA O=C(N[C@@H]1CCCN(CCO)C1=O)c1cnn(-c2ccc(F)cc2)c1-n1cccc1 170600512 HYEIEJRYISCMOU-GOSISDBHSA-N 411.437 1.515 0 50 HDAA COc1ccc(C(=O)Nc2ccc(F)nc2F)cc1S(=O)(=O)N1CCOCC1 170610460 TZBZJPWQRRVCHM-UHFFFAOYSA-N 413.402 1.642 0 50 HDAA COc1ccc(-c2cc(C(=O)N[C@@H](CO)C(C)C)nn2[C@H]2CCS(=O)(=O)C2)cc1 252509975 YZJAGNYACVKQQR-YJBOKZPZSA-N 421.519 1.665 0 50 HDAA COc1cc(CN2CCc3nnc([C@@H](NS(C)(=O)=O)C(C)C)n3CC2)ccc1O 299770592 VPDZGBMTWLFVCC-SFHVURJKSA-N 423.539 1.297 0 50 HDAA Cc1ccc(N2CCN(C(=O)CCC(=O)Nc3ccc4nc(O)[nH]c4n3)CC2=O)cc1 804136336 FBPKPHAZJDJDHC-UHFFFAOYSA-N 422.445 1.566 0 50 HDAA C[C@@H]1CN(C(=O)c2cccc(N3CCNC3=O)c2)CCN1c1nccn2cnnc12 1319306928 ZRLKRNLUWVLBDG-CQSZACIVSA-N 406.450 1.005 0 50 HDAA COc1cc(OC)cc([C@@H](O)CNc2ccc(S(=O)(=O)N3CCOCC3)cn2)c1 1321937060 GQRNDJMYQFASKV-SFHVURJKSA-N 423.491 1.265 0 50 HDAA COc1ncccc1CN1C[C@@H]2[C@H](CNC(=O)C3CCOCC3)[C@H]3CC[C@]2(C1)O3 1704314836 WSKKKKSKDFWMST-JZJXAQOMSA-N 401.507 1.612 0 50 HDAA Cc1noc(C)c1CN1CCC2(CC1)OCC[C@@](C)(NC(=O)c1cn(C)cn1)[C@@H]2O 1772701122 IQKGUHGVMXQGFB-VQTJNVASSA-N 417.510 1.329 0 50 HDAA O=C(O)CC[C@@]12CN(Cc3ccccc3F)C[C@@H]1CN(C(=O)c1n[nH]c(O)n1)C2 1772818897 NAERRNLODLCWPG-YJYMSZOUSA-N 403.414 1.088 0 50 HDAA COc1c[nH]c(C(=O)N[C@H]2CCC[C@H]3CN(C(=O)c4cc(C)on4)C[C@@H]23)cc1=O 1857711436 ZPYHIVFWVAWYJQ-MJBXVCDLSA-N 400.435 1.351 0 50 HDAA CN(C)[C@H]1CS(=O)(=O)[C@H]2CN(C(=O)c3cnc(Nc4ccccc4)nc3)C[C@@H]12 1857723297 ZDXHRETVBSWNIK-ULQDDVLXSA-N 401.492 1.019 0 50 HDAA COc1ccc(C[C@H](NC(=O)NCCNC(=O)Cc2ccc(F)cc2)C(=O)O)cc1 1875258398 VEQVLLDSTHQBKH-SFHVURJKSA-N 417.437 1.488 0 50 HDAA CN1CCCN(C(=O)[C@H]2CC[C@@H](NC(=O)CCCc3ccccc3)[C@H](O)C2)CC1 2100556215 IQOSHTOAXYWYRG-PWRODBHTSA-N 401.551 1.819 0 50 HDAA COc1cccc(CNC(=O)c2ccc3c(c2)C(=O)N([C@H]2CCC(=O)NC2=O)C3=O)c1 2325897909 MKQMCNSHWGCNRW-KRWDZBQOSA-N 421.409 1.026 0 50 HDAA CN(CCO)C[C@@H]1[C@@H](c2ccccc2)[C@]12CN(Cc1ccn3ncnc3c1)C[C@@H]2O 2356156138 SPMOPYZRHUFMFY-IRMYBRCSSA-N 407.518 1.230 0 50 HDAA Cn1nc2n(c1=O)C[C@H](C(=O)N1CCC3(CC1)OCCc1c3[nH]c3ccccc13)CC2 2356157959 UEUIRRMGJBPSGY-OAHLLOKOSA-N 421.501 1.716 0 50 HDAA O=C(O)c1ccc(S(=O)(=O)c2ccc3c(c2)C(=O)N(C[C@H]2CCCO2)C3=O)cc1 969159 FXSPDOUCUXSMCG-CYBMUJFWSA-N 415.423 1.993 0 50 HDAA NC(=O)CN1C(=O)N(CCc2ccccc2)C2(CCN(Cc3cccnc3)CC2)C1=O 14751614 MWXJCXPAXHCOGI-UHFFFAOYSA-N 421.501 1.408 0 50 HDAA C[C@@H]1CN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2CCc2ccccc2)C[C@@H](C)O1 20512542 NRABKRZVUACEST-HZPDHXFCSA-N 411.506 1.286 0 50 HDAA Cc1ccc(C(=O)Nc2ccccc2C(N)=O)cc1S(=O)(=O)N1CCOCC1 65363017 LFBJOSBXFPBENH-UHFFFAOYSA-N 403.460 1.367 0 50 HDAA COc1ccc(-c2cn3cc(C(=O)NC[C@H](C)O)nc3c(=O)n2CC2CC2)c(F)c1 72420348 DQWDBYJBDDKEHC-LBPRGKRZSA-N 414.437 1.831 0 50 HDAA COCC(=O)N1CCC(Oc2ccc(C(=O)N[C@H](C)c3nncn3C)cc2)CC1 95499168 OKRKWCDGCKASLM-CQSZACIVSA-N 401.467 1.322 0 50 HDAA CCc1nc(-c2c3n(c(=O)n(Cc4cc(=O)n5ccccc5n4)c2=O)CCCC3)no1 169763937 WSVNPRONIINATG-UHFFFAOYSA-N 420.429 1.015 0 50 HDAA COc1cccc(CN2CCC[C@]3(CCN(C(=O)Cn4cccn4)C3)C2=O)c1OC 426734541 SNDQNLGNUFQVNU-JOCHJYFZSA-N 412.490 1.942 0 50 HDAA C[C@H]1Oc2ccc(C(=O)C3CCN(Cn4nc5ccccn5c4=O)CC3)cc2NC1=O 727425457 ZFQMXUIHAJNGPN-CQSZACIVSA-N 421.457 1.768 0 50 HDAA Cc1ccc(OCC(=O)NC[C@H]2CCCN(S(=O)(=O)c3cccnc3)C2)cc1 952872759 SSPJEYCCWXZBBQ-QGZVFWFLSA-N 403.504 1.986 0 50 HDAA C[C@H]1CN(C(=O)c2cccc(N3CCNC3=O)c2)CCN1c1nccn2cnnc12 1319306927 ZRLKRNLUWVLBDG-AWEZNQCLSA-N 406.450 1.005 0 50 HDAA Cc1cc([C@](C)(O)CNC(=O)[C@H]2C[C@@H](O)CN2C(=O)Cc2ccccc2F)c(C)o1 1465431838 DGIXZOFNDBTARY-ZWDAVXSWSA-N 418.465 1.564 0 50 HDAA CCOC(=O)[C@@H]1CCCN(c2ncnc3c2ncn3C[C@H](CO)[C@H]2CCOC2)C1 1857533191 MCAHMQSGJCFOIF-OWCLPIDISA-N 403.483 1.251 0 50 HDAA Cc1n[nH]c(C)c1CN1CCC2(CC1)CC(=O)N(CC[C@H]1COCCO1)CCO2 1857671017 LCOWIYGAQUGHSC-SFHVURJKSA-N 406.527 1.416 0 50 HDAA CCOCc1nnc(N2C[C@H](C(=O)NCc3ccc4c(c3)OCO4)CC2=O)s1 1857671378 QXBHOPIRRMXVTR-GFCCVEGCSA-N 404.448 1.473 0 50 HDAA CC(C)C[C@@H]1[C@H](C(=O)N(C)CCN(C)C)C[C@@H]2CN(Cc3ccccn3)CC(=O)N21 1857684051 XESPFDMKIIAFHM-NJDAHSKKSA-N 415.582 1.549 0 50 HDAA Cc1cc(S(=O)(=O)N2CC[C@@]34OC[C@@H](c5ccccc5)N3C(=O)C[C@@H]24)n(C)n1 1857730921 CQCPPFWBQJOJAI-FCEWJHQRSA-N 402.476 1.192 0 50 HDAA Cc1nc[nH]c1CC(=O)N1CCC([C@@H]2OCC[C@H]2NC(=O)c2cc(F)c[nH]2)CC1 1875327483 YWVGYKLINJYQEW-BEFAXECRSA-N 403.458 1.554 0 50 HDAA O=C(c1cccc2c1OCC2)N1CCCC[C@H](NC(=O)C2(C(=O)NC3CC3)CC2)C1 1875345120 SHEAMISIZDPQMY-KRWDZBQOSA-N 411.502 1.791 0 50 HDAA COC(=O)C1CCN(S(=O)(=O)NC(=O)c2cc3c(Cl)cncc3s2)CC1 1875345246 XITYEBIIFUCEIX-UHFFFAOYSA-N 417.896 1.809 0 50 HDAA COC[C@H](C(=O)N1CCCC[C@@H]1c1cn(-c2ccc(C(=O)O)cc2)nn1)N(C)C 1875355498 LMSFDRYXEDHTGF-QZTJIDSGSA-N 401.467 1.596 0 50 HDAA COc1ccccc1N1CCN(C(=O)CN(C2CCCCC2)S(C)(=O)=O)CC1 810818 ODERDCVLEQXHME-UHFFFAOYSA-N 409.552 1.938 0 50 HDAA CN(C)S(=O)(=O)N1CCC(Oc2ccc(C(=O)NCC(C)(C)CO)cc2)CC1 13659337 OTDPSUNNZGOEIB-UHFFFAOYSA-N 413.540 1.085 0 50 HDAA Cc1cc(Cl)ccc1NC(=O)N[C@H]1C[C@H]2C(=O)N[C@@H](CCCCN)C(=O)N2C1 14533012 GZZCJUSUODIKRQ-BPUTZDHNSA-N 407.902 1.367 0 50 HDAA CC(C)NC(=O)c1cn(CCN2CCN([C@@H](C)Cc3ccccc3F)CC2)nn1 20294049 CKADBAYSFLXOEP-KRWDZBQOSA-N 402.518 1.804 0 50 HDAA O=C(NCc1csc(Cc2ccccc2)n1)c1cn(CCN2CCOCC2)nn1 20997837 WHETXOGCHKFHER-UHFFFAOYSA-N 412.519 1.588 0 50 HDAA NC(=O)C1CCN(C(=O)c2ccc3c(c2)C(=O)N(Cc2ccc(F)cc2)C3=O)CC1 32072018 UXHHXQVFFDTKAE-UHFFFAOYSA-N 409.417 1.959 0 50 HDAA CCc1cc(=O)nc(-c2cccc(NC(=O)NCCN3CCCS3(=O)=O)c2)[nH]1 143685792 RSPVWNDSWOOJJG-UHFFFAOYSA-N 405.480 1.156 0 50 HDAA CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)c2ccc3c(c2)OCO3)c1C 461442479 KAPNUVSJPXSIAE-UHFFFAOYSA-N 405.432 1.000 0 50 HDAA O=c1c2ccccc2c(O)nn1CCNCc1cccn1S(=O)(=O)c1ccccc1 952869688 YYOAZLDYAZQHHP-UHFFFAOYSA-N 424.482 1.930 0 50 HDAA O=C(N1CC[C@@](c2nc(-c3ccc(F)cc3)no2)(C(F)(F)F)C1)C1(CO)COC1 952892394 HAHGYDRGDOECCV-QGZVFWFLSA-N 415.343 1.917 0 50 HDAA Cc1cccc(Cn2ncc(C)c2NC(=O)CCN(C)[C@H]2CCS(=O)(=O)C2)c1 1529126336 CLISEXGDHKSYFF-SFHVURJKSA-N 404.536 1.996 0 50 HDAA COCCn1nnc([C@@H]2CN(c3ncnc(Oc4cccnc4C)c3C)CCO2)n1 1857719998 ZJBFIBRHWCDXFV-INIZCTEOSA-N 412.454 1.492 0 50 HDAA CN(C)C(=O)Cc1nnc(NC(=O)CCCc2nc(-c3ccncc3)no2)s1 2356169336 QCKKKZFQHVQULK-UHFFFAOYSA-N 401.452 1.575 0 50 HDAA NC(=O)CN1C(=O)[C@@](O)(CC(=O)c2ccc(Br)s2)c2ccccc21 1122479 ICCXOHKRJKEDDR-MRXNPFEDSA-N 409.261 1.803 0 50 HDAA Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](n2cc(C(=O)NCC(C)C)nn2)C1 11977183 IQCXKKUNMBYAGR-AWEZNQCLSA-N 410.500 1.295 0 50 HDAA CN(Cc1ccccc1)C[C@H](O)COc1ccc(CNCCN2CCOCC2)cc1 19640701 KHLCTKYQNUFARA-QHCPKHFHSA-N 413.562 1.980 0 50 HDAA COCc1ccc(CN2CCc3nnc(CNC(=O)[C@@H]4CCCN(C)C4)n3CC2)o1 20233724 NYQBCLYPQAMZIZ-MRXNPFEDSA-N 416.526 1.034 0 50 HDAA CN(CCc1cnn(C)c1)Cc1cnc(S(=O)(=O)CC2CC2)n1C[C@@H]1CCCO1 20537542 MNUSLHKNFMZSNA-IBGZPJMESA-N 421.567 1.654 0 50 HDAA CSc1nc(O)c(C(c2ccncc2)c2c(O)nc(SC)[nH]c2=O)c(=O)[nH]1 22358546 RFSYFINMAYHLPU-UHFFFAOYSA-N 405.461 1.283 0 50 HDAA COC(=O)CN1C(=O)C2(CCN(C(=O)c3cscn3)CC2)Nc2ccccc21 55197483 AAHGENFXZLFEKX-UHFFFAOYSA-N 400.460 1.750 0 50 HDAA CN1CCN(S(=O)(=O)Cc2ccc(C(=O)Nc3ccccc3C(N)=O)cc2)CC1 67602229 GMHVOCNZQMJCFN-UHFFFAOYSA-N 416.503 1.115 0 50 HDAA O=C(Cc1cccc(F)c1)N1CCC[C@H](n2ncc(N3CCOCC3)cc2=O)C1 328602326 BCSOVGVCUSFAAL-SFHVURJKSA-N 400.454 1.625 0 50 HDAA C[C@]1(c2cccc(CNC(=O)[C@H]3CC(c4cccc(F)c4)=NO3)c2)NC(=O)NC1=O 1318283768 ABSCZNRNSBLNTB-DYESRHJHSA-N 410.405 1.690 0 50 HDAA COC[C@@H]1CCCN(S(=O)(=O)N2CCCN(C3Cc4ccccc4C3)CC2)C1 1506396235 DPTHAJZTADHPPJ-GOSISDBHSA-N 407.580 1.765 0 50 HDAA CC(C)C(=O)NC[C@H]1[C@H]2CN(C(=O)Cn3c(=O)oc4ccccc43)C[C@]23CC[C@H]1O3 1704338221 PHLQIHDCCZTWPT-FBGZYWISSA-N 413.474 1.373 0 50 HDAA CSCC(=O)N1C[C@@H]2CN(c3cc(C)nc(-c4ccccc4O)n3)C[C@@]2(CO)C1 1772806489 YSYHRXDEAUCOAG-BTYIYWSLSA-N 414.531 1.778 0 50 HDAA Cc1ccc2cc1OCCNC(=O)C[C@@H]1CC[C@H](CNC2=O)N1C(=O)c1ccccn1 1857709199 KPYBXUMKGZRMLB-ZWKOTPCHSA-N 422.485 1.692 0 50 HDAA CN(CC(=O)N1CC[C@@]23O[C@@H](c4ccccc4)CN2C(=O)C[C@@H]13)Cc1ccncc1 1857729662 GMZXIFWJWTYOMA-VIZSFHNOSA-N 406.486 1.814 0 50 HDAA CN1CCCN(CC(=O)N[C@H]2C[C@H]3CO[C@@H](c4ccc(Cl)cc4)CN3C2)CC1 1857734786 RMYCDKAWEHKJEG-SLFFLAALSA-N 406.958 1.608 0 50 HDAA Cn1ncc(Cl)c1C(=O)NC[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccco2)CCCO1 1875328063 WLCZXFQZTUVXLM-MGPQQGTHSA-N 406.870 1.818 0 50 HDAA Cc1cc(-c2cn(-c3cccc4c3CN([C@@H]3CCC(=O)NC3=O)C4=O)nn2)ccc1N 1875355910 GREKZCWCVGTRBS-LJQANCHMSA-N 416.441 1.586 0 50 HDAA O=C(COc1ccsn1)N[C@@H]1Cc2ccccc2[C@H]1NC(=O)[C@@H]1CCc2c[nH]nc21 2325851423 ZKVGRQZAOFAESN-JXXFODFXSA-N 423.498 1.873 0 50 HDAA CCOC(=O)/C=C/C(=O)N[C@@H]1C[C@H]1NC(=O)c1cc2c(OC)cc(OC)cc2[nH]1 2325872814 NTXQALZBIJGPDR-XEVLESSRSA-N 401.419 1.291 0 50 HDAA CCN(CC)C(=O)Cn1cc(C(=O)N2CCN(c3ccc(Cl)cn3)CC2)nn1 19112307 MZACCCXDXVUMPW-UHFFFAOYSA-N 405.890 1.157 0 50 HDAA CCOC(=O)C1=C(CN2CCSCC2)NC(=O)N[C@@H]1c1ccc2c(c1)OCO2 20500903 GSHAQNLOTQWYDL-QGZVFWFLSA-N 405.476 1.635 0 50 HDAA CCOCCC(=O)N1CCc2cc(S(=O)(=O)NC[C@H]3CCCN(C)C3)ccc2C1 77459638 NLYKEFCMCBCNFN-QGZVFWFLSA-N 423.579 1.618 0 50 HDAA Nc1nccc([C@@H]2CCCN(S(=O)(=O)c3ccc4c(c3)CCCC(=O)N4)C2)n1 225829765 QEALVXKMJIQNQQ-CQSZACIVSA-N 401.492 1.902 0 50 HDAA O=C(O)[C@@H]1CC(=O)N(c2ccc(S(=O)(=O)Nc3ccn(CC(F)F)n3)cc2)C1 484622425 WMAZTMCUJFSOQI-SNVBAGLBSA-N 414.390 1.387 0 50 HDAA COc1cc(C(=O)N2CCO[C@H](CO)[C@H]2c2ccc(OC)c(OC)c2)ccc1O 1529144341 YHUBWBCPMQOYFP-WOJBJXKFSA-N 403.431 1.993 0 50 HDAA OC[C@]12CN(Cc3cnc(N4CCCCC4)nc3)C[C@H]1CN(Cc1ccns1)C2 1772701054 HDFABYDJJBMORF-GHTZIAJQSA-N 414.579 1.850 0 50 HDAA Cc1cc(C(=O)N2CCC([C@H](C)O)CC2)c(C)n1Cc1cn(CCCC(=O)O)nn1 1875356764 WTYLJZJOXHAXHE-INIZCTEOSA-N 417.510 1.843 0 50 HDAA CC(=O)c1cncc(C(=O)N2CC[C@@H](CCNC(=O)C3CCN(C(C)=O)CC3)C2)c1 1875361022 OSVAPIZRWVMYJZ-QGZVFWFLSA-N 414.506 1.511 0 50 HDAA C=CC(=O)N[C@H](CNC(=O)c1cc2n(n1)C[C@@H](C)NC2=O)c1ccc(C(C)C)cc1 1875386628 VTKOAWSUOYCKMU-RDTXWAMCSA-N 409.490 1.912 0 50 HDAA O=C1NC[C@H](C(=O)N[C@@H]2CCC[C@H](NC(=O)c3cc4c(C5CC5)cccc4[nH]3)C2)N1 2325872669 IRKJKMZMANHPSV-IQUTYRLHSA-N 409.490 1.884 0 50 HDAA COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](NC(=O)OCc1ccccc1)[C@@H](C)O 4764009 FOULQMVLUUSLJT-AYOQOUSVSA-N 414.458 1.563 0 50 HDAA COc1ccc(CCN(C)[C@@H]2CCCN(C(=O)CCn3cnnn3)C2)cc1OC 11815035 JUQHSHHKKYEJDL-QGZVFWFLSA-N 402.499 1.246 0 50 HDAA CC1CCN(Cc2nnnn2CC(=O)N2CCOc3ccc(Cl)cc3C2)CC1 11874731 GFMQGZBSJMKAFF-UHFFFAOYSA-N 404.902 1.980 0 50 HDAA C[C@@H]1C[C@@H](C(=O)NC[C@@H]2CCC3(CCN(Cc4ccccc4)CC3)O2)NC(=S)N1 12135352 WGAWWYNMXBYBJU-NEWSRXKRSA-N 416.591 1.941 0 50 HDAA COCCNC(=O)c1cn(C2CCN(Cc3cccc(OC)c3OC)CC2)nn1 12453431 XZNRENQUWFTSNZ-UHFFFAOYSA-N 403.483 1.509 0 50 HDAA Cc1c(C(=O)N(C)[C@H]2CCOC2)sc2ncnc(NCCN3CCOCC3)c12 14880159 PKCPOTNFRORJCJ-AWEZNQCLSA-N 405.524 1.605 0 50 HDAA O=C1CCCN1CCCN1C[C@@H](C(=O)N2CCN(CC3CCCC3)CC2)CCC1=O 19770637 FDLZATUNHVNVQB-FQEVSTJZSA-N 418.582 1.572 0 50 HDAA COc1ccc(OC[C@@H](O)CN2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 19809729 NAOLLHXJGCECEF-SFHVURJKSA-N 400.475 1.981 0 50 HDAA CSc1ccc(CN2CCc3nnc(CCNC(=O)[C@H]4CCCO4)n3CC2)cc1 20920249 DHQNAADPHXHTDC-GOSISDBHSA-N 415.563 1.896 0 50 HDAA Cc1ccc(CN(C)C(=O)[C@H]2[C@@H]3C=C[C@@]4(CN(CCN5CCCCC5)C(=O)[C@H]24)O3)o1 77405991 MHYVVOYREOYGKL-MXBUBSDBSA-N 413.518 1.814 0 50 HDAA CCc1ccc(CN(C)C(=O)[C@H]2[C@@H]3C=C[C@@]4(CN(Cc5cccnc5)C(=O)[C@H]24)O3)nc1 77470774 AXKRRPJOHHMJAZ-CIEVZJJWSA-N 418.497 1.980 0 50 HDAA CN(Cc1cc[nH]n1)C(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(CCOc4ccccc4)C(=O)[C@H]13)O2 77519287 HSOJICHOFJRKIR-WEMPKCCASA-N 408.458 1.229 0 50 HDAA COc1cc(CN2CCS(=O)(=O)CC2)ccc1OC[C@@H](O)CN(C)C(C)C 95503908 PLNZKEPMMJMRQU-KRWDZBQOSA-N 400.541 1.006 0 50 HDAA NC(=O)CC[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@H]2C(=O)N(c3ccccc3F)C(=O)[C@@H]12 245245180 BGFHNBDEZXDKTG-FDFFUELDSA-N 422.416 1.016 0 50 HDAA CNS(=O)(=O)CC(=O)N1C[C@H]2CCC[C@@]2(c2nc(Cc3ccccc3)no2)C1 328604093 IMJYJSGJRLVWHX-DNVCBOLYSA-N 404.492 1.090 0 50 HDAA CN(C)c1ccnc(C(=O)N2CCC[C@@H](c3n[nH]cc3C(=O)N3CCOCC3)C2)c1 328606637 SFPVDUVJWCVERJ-OAHLLOKOSA-N 412.494 1.363 0 50 HDAA CC(CNC(=O)c1cc2n(n1)C[C@@H](O)CNC2=O)(c1ccccc1)c1ccccc1 426438955 XIYAGCVKLMVMCP-SFHVURJKSA-N 404.470 1.723 0 50 HDAA CCc1ccc(CN2CCc3c(C(=O)NC[C@H]4CNCCO4)csc3C2)nc1 426445192 YSQLOLCFCBSMMR-QGZVFWFLSA-N 400.548 1.982 0 50 HDAA NS(=O)(=O)c1ccc(Br)c(C(=O)Nc2ccc3c(c2)C(=O)NCC3)c1 760888623 NGJJHOYIILJCGI-UHFFFAOYSA-N 424.276 1.635 0 50 HDAA CC(C)(C)NC(=O)COc1ccc(CN2CC[C@H](O)[C@@]3(CCCNC3=O)C2)cc1 1857687859 INUHAJYGSFEBPH-PGRDOPGGSA-N 403.523 1.443 0 50 HDAA COCCn1ccnc1CN1C[C@@H]2CN(c3cnccn3)C[C@@]2(CCC(=O)O)C1 1857690898 UDFCCBMHVNRJQT-OXQOHEQNSA-N 400.483 1.123 0 50 HDAA CC(=O)N1CC[C@@H]2C[C@H](N3CCOCC3)CC[C@@]2(C(=O)NCCCn2ccnc2)C1 1857730116 YUBOZDZXGIKBLE-KCZVDYSFSA-N 417.554 1.129 0 50 HDAA CCCCOc1ccc(C(=O)NC[C@@]2(c3nccn3C)NC(=O)NC2=O)c(Cl)c1 1875273538 HTBWOAHHWQHGGV-IBGZPJMESA-N 419.869 1.717 0 50 HDAA Cc1ccc(S(=O)(=O)CCNC(=O)N2CC(=O)N(C)c3ccccc3C2)cc1 1875318407 OEENQXBXNGTPAE-UHFFFAOYSA-N 401.488 1.957 0 50 HDAA CC(=O)N1CCC[C@@H]1C(=O)N1CCCCC[C@@H](NC(=O)c2cccc(C(N)=O)c2)C1 2325864018 DLUCZMDJDWVJRN-RTBURBONSA-N 414.506 1.297 0 50 HDAA COC(=O)C1CCN(C[C@@H](O)COc2ccc(CNCCn3ccnc3)cc2)CC1 12445708 IZWGRLXVKFOKJV-HXUWFJFHSA-N 416.522 1.298 0 50 HDAA C[C@@H](OCc1ccccc1)[C@@H]1NC(=O)[C@H]2CN(C(=O)Oc3ccccc3)CCN2C1=O 14538095 JGFVSZAMGSKOFM-AHRSYUTCSA-N 423.469 1.802 0 50 HDAA O=C1N[C@@H](COCc2ccccc2)C(=O)N2CCN(C(=O)Oc3ccccc3)C[C@H]12 14754636 HRMVNFQMQWJFOW-RBUKOAKNSA-N 409.442 1.413 0 50 HDAA CCc1cc(CNCc2ccc(OC[C@@H](O)CN3CCOCC3)c(OC)c2)on1 14973430 BHWIXKQAIBBDIP-SFHVURJKSA-N 405.495 1.607 0 50 HDAA CCOC(=O)C1=CN(CC(=O)NCCc2ccc(Cl)cc2)S(=O)(=O)N=C1C 169776617 YDDIVWXNNRDFKV-UHFFFAOYSA-N 413.883 1.467 0 50 HDAA COC(=O)c1cc(S(=O)(=O)Nc2cnnn2C)ccc1I 225393412 OFYIZRNGGODHOH-UHFFFAOYSA-N 422.204 1.007 0 50 HDAA O=C(OCCn1nc2ccccn2c1=O)c1cnn(-c2ccncc2)c1C(F)F 225620481 OZMSMJCOTLNBHA-UHFFFAOYSA-N 400.345 1.871 0 50 HDAA CNC(=O)[C@@H]1CN(C(=O)CN2C(=O)N[C@@]3(CCCC[C@H]3C)C2=O)c2ccccc2O1 239306037 GIJICFKHLYJCJF-ZQWRNJAYSA-N 414.462 1.027 0 50 HDAA CC(C)Cn1ncnc1CN1CCC[C@@H](n2ncc(N3CCN(C)CC3)cc2=O)C1 328604708 KYYAXPWSARGMON-GOSISDBHSA-N 414.558 1.080 0 50 HDAA Cc1occc1C(=O)NC1CCN(C(=O)c2cccc([C@@]3(C)NC(=O)NC3=O)c2)CC1 425921296 LCTIKJWFJVCUJO-JOCHJYFZSA-N 424.457 1.677 0 50 HDAA CS(=O)(=O)N1CCN(CC(=O)NC2(c3cccc(C(F)(F)F)c3)CCC2)CC1 469465125 QWDRVJISUACYMW-UHFFFAOYSA-N 419.469 1.778 0 50 HDAA Cc1c(NC(=O)C[C@H]2C(=O)N(C)C(=O)N2C)cccc1C(=O)Nc1nccs1 952982546 AUSCGRFWHJUNOI-ZDUSSCGKSA-N 401.448 1.925 0 50 HDAA COc1cc(CN2C[C@@H](O)[C@H](Cc3cnccn3)C2)cc(Cl)c1OCC(=O)O 1529186327 BRJPFFWBJZWFRN-CZUORRHYSA-N 407.854 1.637 0 50 HDAA CCCO[C@H]1C[C@@H](C(=O)N2C[C@H]3COC[C@H]3C2)CC[C@@H]1NC(=O)c1cnccn1 1857682977 NNEBUFJKXWWRSL-LVEJAMMSSA-N 402.495 1.275 0 50 HDAA N=c1nc(N2CCC[C@@](O)(CN3CCC(c4ccccc4)CC3)C2)c2nc[nH]c2[nH]1 1857724974 HNSBQBUTGHVGIN-JOCHJYFZSA-N 407.522 1.976 0 50 HDAA COC(=O)[C@H]1C[C@H]2CN(C(=O)[C@H]3CC[C@H](O)CC3)CC(=O)N2[C@H]1c1ccccc1 1857729407 ZLYSGRPLJBONBC-VKESLTNKSA-N 400.475 1.511 0 50 HDAA COc1ccc(CN2CC[C@@H](O)[C@](CC3CC3)(C(=O)O)C2)cc1Cn1cncn1 1875250345 QFVADXDGVXQQCZ-TZIWHRDSSA-N 400.479 1.773 0 50 HDAA CC(C)c1[nH]ccc1C(=O)N1CC(F)(F)C[C@H]1CNC(=O)[C@@H]1NC(=O)[C@H]2CC[C@H]21 1875331527 LMSZAZXDMXIZBV-RSUWNVLCSA-N 408.449 1.629 0 50 HDAA C[C@@H](NC(=O)Cc1ccc2c(c1)CCC(=O)N2)C(=O)Nc1ccc(-n2cncn2)cc1 1875340746 PRHVTYPBMHAHCI-CQSZACIVSA-N 418.457 1.838 0 50 HDAA O=C1CC[C@H](N2Cc3ccc(NC(=O)c4ccc5nccn5c4)cc3C2=O)C(=O)N1 2325895707 HGHYREWUQMYUJZ-INIZCTEOSA-N 403.398 1.348 0 50 HDAA CC1=NN(C(=O)c2nn(C)cc2I)[C@](O)(C(F)(F)F)C1 694519 WTHOSPYNAYYAIJ-SECBINFHSA-N 402.114 1.497 0 50 HDAA O=C1NCCN(CCCc2ccccc2)[C@H]1CC(=O)N1CCN(c2ccncc2)CC1 12712170 NKCFIJCSZTWVME-QFIPXVFZSA-N 421.545 1.554 0 50 HDAA COc1ccc(N(CCCC(=O)N2CCN(C)CC2)S(C)(=O)=O)cc1Cl 13680011 JGBJLBNKGJPBLY-UHFFFAOYSA-N 403.932 1.669 0 50 HDAA Cc1cnc(C)c(N2CCN(Cc3cnc(S(C)(=O)=O)n3CC(C)C)CC2)n1 20455406 KIDQSLMUDWAIOI-UHFFFAOYSA-N 406.556 1.672 0 50 HDAA Cc1nn(C)cc1-c1ccnc(N2CCN(Cc3ccc4c(c3)OCO4)C(=O)C2)n1 48081043 OHUBBPGARPZNNX-UHFFFAOYSA-N 406.446 1.763 0 50 HDAA CS(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)C1 65364653 IGIMZYVALQGWRS-AWEZNQCLSA-N 415.537 1.081 0 50 HDAA O=C(NCCN1CCNC1=O)c1cnc(Cc2c(Cl)cccc2Cl)[nH]c1=O 91943831 XNSBEQMCXGJPOM-UHFFFAOYSA-N 410.261 1.423 0 50 HDAA COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)c1cccc(F)c1F)CC2 95521968 HFZVBDKXQDJVIC-UHFFFAOYSA-N 404.417 1.851 0 50 HDAA COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)c1ccc(F)c(F)c1)CC2 95529489 TVXZPKQPTAGNGQ-UHFFFAOYSA-N 404.417 1.851 0 50 HDAA C[C@]12CC[C@H]3[C@H](CC[C@]4(O)C[C@H](O)CC[C@]34C(=O)O)[C@]1(O)CC[C@H]2C1=CC(=O)OC1 253498223 XJIILRFVONGQOG-MBESUSCFSA-N 420.502 1.784 0 50 HDAA biogenic O=C(CN1CCN(c2ncccn2)CC1)N1CCC2(CC1)OCCc1sccc12 1704328695 NDZQYFPUOAIBPM-UHFFFAOYSA-N 413.547 1.751 0 50 HDAA COc1ccc([C@H](CC(=O)NCCNC(C)=O)c2c(O)n3ccccc3nc2=O)cc1 1776111596 YVSBSTWDBHOLES-KRWDZBQOSA-N 424.457 1.183 0 50 HDAA CN(C)C[C@@H]1OCCN(C(=O)c2cc(C(F)(F)F)n(C)n2)[C@H]1c1cnn(C)c1 1857724740 AMTWYBXFYWANIH-ZFWWWQNUSA-N 400.405 1.316 0 50 HDAA Cc1nsnc1C(=O)N1CCC2(CCc3c(O)nc(N4CCOCC4)nc32)CC1 1857725908 SKBLCKYQFRVDQJ-UHFFFAOYSA-N 416.507 1.299 0 50 HDAA COC(=O)[C@@H]1Cc2nc[nH]c2CN1C(=O)c1cc2c(s1)C1(CCNCC1)OCC2 2356149409 YXBUHBRDBMCVKI-HNNXBMFYSA-N 416.503 1.363 0 50 HDAA CCS(=O)(=O)c1ncc(CN(C)CCCN2CCOCC2)n1Cc1ccccc1 11663978 KRNDZRUJMUDSHU-UHFFFAOYSA-N 420.579 1.879 0 50 HDAA COc1cccc(N2C(=O)CN(C(=O)Cn3cnc4ccccc4c3=O)C[C@H]2C)c1 12135601 LHKYZOMYYMXTAO-OAHLLOKOSA-N 406.442 1.669 0 50 HDAA CCOC(=O)N1CCN(C(=O)c2cn(C[C@@H]3COc4ccccc4O3)nn2)CC1 12705386 UJVRBWPHHKVXGB-CQSZACIVSA-N 401.423 1.032 0 50 HDAA CC(=O)N1CCC(CNC[C@]2(O)CCCN(Cc3ccc(F)c(F)c3)C2=O)CC1 12764074 MGGUPDHEAIIGAP-OAQYLSRUSA-N 409.477 1.666 0 50 HDAA COCCCN1C(=O)N(Cc2ccc(OC)cc2)C(=O)C12CCN(CCO)CC2 14539307 KBOKTYOMFZNIAE-UHFFFAOYSA-N 405.495 1.323 0 50 HDAA COc1ccc(C[C@@H]2NC(=O)[C@@H]3C[C@H](NC(=O)c4ccc(C)cc4)CN3C2=O)cc1 14732062 SZCUGTGBLXEOSB-IHPCNDPISA-N 407.470 1.444 0 50 HDAA O[C@H]1CN(Cc2cc3c(cc2Cl)OCO3)C[C@@H]1N1CCN(c2ccccn2)CC1 20201690 AGHNMRPVDHVFQC-ROUUACIJSA-N 416.909 1.831 0 50 HDAA COc1cccc(CN(C)CC2CCOCC2)c1OC[C@@H](O)CN1CCOCC1 39518459 SEESWAHNLRFPEI-FQEVSTJZSA-N 408.539 1.626 0 50 HDAA Cc1ccc(S(=O)(=O)N2CCN(c3ccnc(N4CCOCC4)n3)CC2)cc1 72437003 LPTSFVARELRBJA-UHFFFAOYSA-N 403.508 1.133 0 50 HDAA COc1ccc(CCN2C(=O)[C@@H](CC(=O)NCC3CCOCC3)N=C2O)cc1OC 253535826 GJDZRTOHXBDKMB-MRXNPFEDSA-N 419.478 1.304 0 50 HDAA O=S(=O)([C@@H]1CCCN(c2nc(O)c3cn[nH]c3n2)C1)N1CCc2ccccc21 302496562 MMCUMLAXULDBRK-CYBMUJFWSA-N 400.464 1.420 0 50 HDAA Cc1nccc(NC(=O)c2cccc(S(=O)(=O)N3C[C@@H]4C[C@H]5C[C@H]4[C@@H]3[C@@H]5O)c2)n1 408525117 LNQKBJZPDWFFKK-DFXHGPDCSA-N 414.487 1.427 0 50 HDAA CCNC(=O)c1cc(NC(=O)CN2CCN(c3ncccn3)CC2)ccc1Cl 952982288 GFFZXLAYSURAJX-UHFFFAOYSA-N 402.886 1.640 0 50 HDAA CCOC(=O)[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CCN(Cc1c[nH]c(=N)s1)C2 1857694974 NLSYXWNPCQYBDF-JXXFODFXSA-N 408.568 1.812 0 50 HDAA Cn1cc(C(=O)N2Cc3ccccc3C[C@@H]2CNC(=O)c2cccc3[nH]ncc23)nn1 1875361419 RXRVJQUVUBIQBB-MRXNPFEDSA-N 415.457 1.689 0 50 HDAA CN(CCc1noc(C2CC2)n1)C(=O)[C@H]1OCC(=O)N[C@@H]1c1ccccc1Cl 2100534865 XQPRQFWBKCGSAS-SJORKVTESA-N 404.854 1.858 0 50 HDAA O=C(C(=O)N1CCC(F)(F)[C@]2(CCOC2)C1)N1CCC(F)(F)[C@@]2(CCOC2)C1 2325816877 IREMKAUAGMUBBH-IYBDPMFKSA-N 408.392 1.535 0 50 HDAA Cc1cccc([C@H](C)C(=O)N[C@H]2CCN(C(=O)c3nc(O)sc3C)C[C@H]2O)c1 2325841155 GJXMPVVIPPVIOZ-VBNZEHGJSA-N 403.504 1.961 0 50 HDAA O=C(Cn1nnc(-c2ccccc2F)n1)Nc1ccc(C(=O)N2CCOCC2)cc1 2871549 YAVDLTHIFWEDHS-UHFFFAOYSA-N 410.409 1.590 0 50 HDAA CCn1ccc([C@@H](C)NC(=O)[C@H]2CCCN(S(=O)(=O)c3cn(CC)nc3C)C2)n1 6637426 BJLCKRBLUMQSIL-ZBFHGGJFSA-N 422.555 1.706 0 50 HDAA COC(=O)CCN1CCc2c(c(C(=O)N(C)C)nn2CCc2ccc(OC)cc2)C1 14755717 NHHZFLPWRGIITE-UHFFFAOYSA-N 414.506 1.757 0 50 HDAA CCCN1CCN(CCCNC(=O)CN2C(=O)[C@H](CC)Oc3ccccc32)CC1 19359203 SMUSYQLLDKQQOY-IBGZPJMESA-N 402.539 1.725 0 50 HDAA CCN1CCN(C(=O)[C@@H]2[C@@H]3C=C[C@@]4(CN(Cc5ccc(C)c(C)c5)C(=O)[C@H]24)O3)CC1=O 77455338 WMFUTXKXYRAKIS-UQWVPHONSA-N 423.513 1.276 0 50 HDAA COc1cccc(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N(C)Cc3nccn3C)[C@@H]4C2=O)c1 77517342 IAHSSTVMTNWBKT-CLWLKPMESA-N 422.485 1.369 0 50 HDAA O=C(CN1CC[C@H](N2CCOCC2)[C@H](CCCO)C1)N1CCOc2ccccc21 95387953 SRPMPOGRBOBUNE-MOPGFXCFSA-N 403.523 1.207 0 50 HDAA COc1cc(CN2C[C@@H]3CN(C(=O)c4cccc(O)n4)C[C@@]3(CO)C2)ccc1F 1772804423 OVMDYCFSKCUKQA-QVKFZJNVSA-N 401.438 1.501 0 50 HDAA COc1ccc([C@H](CC(=O)NCCN(C)C)c2c(O)n3ccccc3nc2=O)cc1 1776111827 SFGKOQOJUBXVEI-KRWDZBQOSA-N 410.474 1.609 0 50 HDAA CN(C)CC(=O)N1C[C@H]2[C@@H](NC(=O)c3cnc(-c4ccccn4)nc3)CCC[C@H]2C1 1857672666 WLRYHVIVTXZNFA-JQHSSLGASA-N 408.506 1.457 0 50 HDAA Cc1ccc2c(C(=O)N[C@H]3CC[C@H](C(=O)N4CCSCC4)C[C@@H]3O)cnn2c1 1857693634 FRMCJUVXZBWNOJ-ZVZYQTTQSA-N 402.520 1.478 0 50 HDAA Cn1ncc2c(O)nc(CN3CC[C@@]4(C3)CN(CC3CCCCC3)CCO4)nc21 1857694506 PTBQUFYAJCQDLB-OAQYLSRUSA-N 400.527 1.926 0 50 HDAA Cc1cc(NC(=O)CCn2c(=O)nc(O)c3ccccc32)ccc1NS(C)(=O)=O 1875257871 BKXNAVSJPGPGGG-UHFFFAOYSA-N 416.459 1.811 0 50 HDAA COc1ccc(F)cc1C(=O)N[C@H]1CN(C(=O)C[C@H]2CCNC2=O)CCC12CCC2 1875334890 JDVDTARVRLHJQB-KDOFPFPSSA-N 417.481 1.862 0 50 HDAA COC[C@@](C)(NC(=O)c1cc(Br)c(Br)s1)C(N)=O 2325727890 YZDYRCCLXYPTFW-SNVBAGLBSA-N 400.092 1.893 0 50 HDAA Cc1cn2c(n1)CC[C@H](NC(=O)C1(C(=O)N[C@H]3CCc4nc(C)cn4C3)CCC1)C2 2325740496 MKETYUIBBFKSDT-IRXDYDNUSA-N 410.522 1.429 0 50 HDAA O=C(NCc1ccc2c(c1)OCO2)c1ccc(S(=O)(=O)N2CCOCC2)cc1 908956 UXAQOZSOXFUKEN-UHFFFAOYSA-N 404.444 1.366 0 50 HDAA O=C1NCCN(Cc2ccoc2)[C@H]1CC(=O)N1CCN(Cc2cccs2)CC1 12430922 SJUDDUDFFKXVQB-SFHVURJKSA-N 402.520 1.376 0 50 HDAA O=C(NCc1ccc(-n2cncn2)cc1)[C@H]1CCC(=O)N(CCCN2CCCC2=O)C1 12469688 NPIXQINDXUWGKO-SFHVURJKSA-N 424.505 1.135 0 50 HDAA COCCN1C(=O)N(Cc2cccc(OC)c2)C(=O)C12CCN([C@H](C)CCO)CC2 14540695 LRNCRACYBIYIML-QGZVFWFLSA-N 419.522 1.711 0 50 HDAA C[C@@H]1CN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccccc2F)C[C@@H](C)O1 20029376 WYMWRZDLSFFTCT-ZIAGYGMSSA-N 415.469 1.230 0 50 HDAA CCOC(=O)N1CCN(C(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)CC1 36185026 XYGDODNBGJVPPX-UHFFFAOYSA-N 409.508 1.776 0 50 HDAA CCCc1cncnc1N1CCC(N2CCC[C@H](C(=O)N3CCOCC3)C2)CC1 71751312 VYRCMHFPQWAGFQ-IBGZPJMESA-N 401.555 1.969 0 50 HDAA CCn1c(CCC(=O)NCc2cc[nH]n2)nc2cc(S(=O)(=O)N(C)C)ccc21 170620823 UGBIJDSXUCKMEL-UHFFFAOYSA-N 404.496 1.279 0 50 HDAA CCOC(=O)[C@H]1CCCN(CC(=O)c2cc(C)n([C@H]3CCS(=O)(=O)C3)c2C)C1 248318594 OQEPVHYKZBRQFG-IRXDYDNUSA-N 410.536 1.922 0 50 HDAA CC[C@H](C)[C@@H](CO)NC(=O)C[C@@H]1N=C(O)N(Cc2ccc(OC)c(OC)c2)C1=O 252540595 PQARNEBKHVQVBW-AEGPPILISA-N 407.467 1.242 0 50 HDAA CCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H]1C=CC=NN1[C@H]2C(=O)c1ccc(Br)cc1 254319558 LJXBTSPSWGZQCB-ZQDZILKHSA-N 402.248 1.861 0 50 HDAA CCOC(=O)c1ccc(S(=O)(=O)Nc2cccc(OCCn3cncn3)c2)o1 481957464 LRMPZISDCGODMK-UHFFFAOYSA-N 406.420 1.928 0 50 HDAA Cc1cc(Cl)ccc1OCCN1CCN(C(=O)CC[C@@H]2NC(=O)NC2=O)CC1 952869017 KOWKYKGWOYXVAU-HNNXBMFYSA-N 408.886 1.160 0 50 HDAA Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1NC(=O)c1ccccc1-c1nc[nH]n1 1506398033 SCYPGGUUOZTPLZ-CYBMUJFWSA-N 400.464 1.897 0 50 HDAA NC(=O)c1cncc(N2CCC[C@]3(CCc4c(O)nc(-c5cccnc5)nc43)C2)n1 1857713731 FOWFZSMJAMVWIH-NRFANRHFSA-N 403.446 1.618 0 50 HDAA CCc1nnc(N2C[C@@H](C(=O)NCc3nc4cc(OC)ccc4o3)CC2=O)s1 1857714746 KCQPJZIQALFYTD-JTQLQIEISA-N 401.448 1.920 0 50 HDAA O=C(CCn1cnnn1)N1CCC[C@@]2(CCc3c(O)nc(-c4cccnc4)nc32)C1 1857718762 RUVWAAQUKWBACI-HXUWFJFHSA-N 406.450 1.127 0 50 HDAA Cc1nc[nH]c1-c1nccn1C[C@@H]1CN(CC2CCN(CC3CC3)CC2)C(=O)CO1 1857736435 PAWYKHXGUCZCAO-LJQANCHMSA-N 412.538 1.931 0 50 HDAA Nc1ccc(-c2cn(-c3cccc4c3CN([C@@H]3CCC(=O)NC3=O)C4=O)nn2)cc1 1875356266 MWMTZHGGLGDKAP-GOSISDBHSA-N 402.414 1.278 0 50 HDAA CN1CCN(c2ccccc2NC(=O)C(=O)Nc2cccc(Cn3cnnc3)c2)CC1 2325748966 HCNFVIVVLDQYQA-UHFFFAOYSA-N 419.489 1.655 0 50 HDAA CCN1CCC[C@@H]1CNC(=O)c1ccccc1OC1CCN(S(C)(=O)=O)CC1 12201431 UXHSYZXZQRRUII-MRXNPFEDSA-N 409.552 1.704 0 50 HDAA Cc1nn(C)c(Cl)c1S(=O)(=O)N1CCC[C@@H](CNC(=O)c2ccco2)C1 12205386 DCDYKBDQMILAOB-LBPRGKRZSA-N 400.888 1.806 0 50 HDAA O=C(Cn1nc(N2CCOCC2)ccc1=O)NCCc1c[nH]c2ccc(Cl)cc12 61719194 BGRHURVIRBGZLE-UHFFFAOYSA-N 415.881 1.574 0 50 HDAA CN1CCC(NC(=O)CN(c2cccc(Br)c2)S(C)(=O)=O)CC1 65362353 CXAGYXBUGUTCTE-UHFFFAOYSA-N 404.330 1.426 0 50 HDAA Cc1nc(N2CCN(C)CC2)cc(N2CCN(C(=O)COc3ccccc3)CC2)n1 72441806 BLHDGCXYTCGNFN-UHFFFAOYSA-N 410.522 1.264 0 50 HDAA CC1(C)C(=O)NC(=O)N1CC(=O)N1CCC[C@](C)(Cc2ccc3c(c2)OCO3)C1 95528293 RDSLOQFKUSHHIL-OAQYLSRUSA-N 401.463 1.917 0 50 HDAA CCc1nc(-c2c3n(c(=O)n(CC(=O)Nc4cccc(F)c4)c2=O)CCCC3)no1 169764031 SPOUCHNDNDZPCU-UHFFFAOYSA-N 413.409 1.737 0 50 HDAA CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)[C@@H]1CCN(c2cc(C)nn2C)C1=O 170646225 FDUUXPUZQKKOPG-GOSISDBHSA-N 412.494 1.753 0 50 HDAA O=C(O)CC[C@]1(CCC(=O)N2CCCN(Cc3cccnc3)CC2)CCC(=O)N1 222968689 BLWBXHYHQWHXDM-OAQYLSRUSA-N 402.495 1.410 0 50 HDAA CCOC(=O)c1ccc(N2C(=O)C[C@H](N3CCC[C@@H](C(=O)OCC)C3)C2=O)cc1 226570475 IEUZTGZRGCMFQL-WBVHZDCISA-N 402.447 1.770 0 50 HDAA Cc1cc(N2CCCN(C(=O)CC[C@]3(CCC(=O)O)CCC(=O)N3)CC2)ccn1 230586666 WAMLAOJERMTQRC-NRFANRHFSA-N 402.495 1.723 0 50 HDAA O=C1[C@@H]2CC=CC[C@H]2C(=O)N1CC(=O)N(Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 239287395 CRUAVMBGZIJEQG-RCCFBDPRSA-N 416.499 1.154 0 50 HDAA O=C(c1ncn2c1CO[C@H](c1ccccc1)C2)N1CCC(C(=O)N2CCOCC2)CC1 263619272 XVSMCQFPOYSRMF-FQEVSTJZSA-N 424.501 1.866 0 50 HDAA O=C(CN1CCN(c2ncccn2)CC1)N[C@@H]1CCCN(Cc2ccccc2F)C1 827836011 QBAWWVCZEJMWII-LJQANCHMSA-N 412.513 1.519 0 50 HDAA COCCN1C[C@@H](CNS(=O)(=O)c2cc(Cl)c(OC)cc2Cl)CC1=O 1506395588 BUIPILNYCOLLJC-SNVBAGLBSA-N 411.307 1.775 0 50 HDAA CSc1cccc(NC(=O)N2C[C@@H]3CN(Cc4cnc(N)nc4)C[C@@]3(CO)C2)c1 1772804786 UNHHJVATLFRHGB-YWZLYKJASA-N 414.535 1.739 0 50 HDAA Cn1nc(C(=O)N2C[C@H](O)[C@]3(C2)[C@H](c2ccccc2)[C@H]3CO)c2ccccc2c1=O 1857721275 HTIDTYNPSIDOGE-ISJRUSPKSA-N 405.454 1.143 0 50 HDAA Cc1nc(-c2nc[nH]n2)sc1C(=O)O[C@H](C)C(=O)c1ccc2c(c1)NC(=O)CO2 1875254511 VQDIWVYGWDEEMO-SECBINFHSA-N 413.415 1.996 0 50 HDAA CCn1cc([C@H](O)CN(Cc2ccccc2)C(=O)c2cc(=O)n3[nH]cnc3n2)cn1 1875262685 DBROTQDQTVPDTE-QGZVFWFLSA-N 407.434 1.010 0 50 HDAA CC1(C)C[C@@H](N=c2nc[nH]c3[nH]c(I)cc23)CCS1(=O)=O 1875309344 IZQRAOZDEDMMAW-QMMMGPOBSA-N 420.276 1.752 0 50 HDAA CC(C)C[C@H](C(N)=O)C(=O)NC[C@@H]1CCC[C@@H]1NC(=O)c1ccc2c(c1)CCO2 1875344426 KNYTYGSLHHFMJR-KSZLIROESA-N 401.507 1.784 0 50 HDAA Cc1nc2nc(=N)[nH]n2c(C)c1CCC(=O)N(C)Cc1cnc(-n2cccn2)s1 1875353053 IUBRHDHCQBVDIP-UHFFFAOYSA-N 411.495 1.387 0 50 HDAA CCC(=O)NCc1cn([C@@H](C)CNC(=O)C[C@H]2C(=O)Nc3cc(OC)ccc32)nn1 2325850525 APCRVOLWMDYVSG-BLLLJJGKSA-N 414.466 1.116 0 50 HDAA CNC(=O)c1cc(NC(=O)[C@H](CCF)NC(=O)OC(C)(C)C)cc(C(=O)NC)c1 2325873045 WVZMPBLGBAXNSU-AWEZNQCLSA-N 410.446 1.597 0 50 HDAA Cc1c(C(=O)N2C[C@H]3[C@@H](NC(=O)c4c[nH]c(=N)s4)CC[C@H]3C2)sc2nccn12 2325875780 BSICORXJVBNEHQ-TUAOUCFPSA-N 416.532 1.854 0 50 HDAA O=S(=O)(c1cnc(-c2ccc(F)cc2)s1)N(CCO)CCN1CCOCC1 2325878994 DRGSNJCGXVYKDV-UHFFFAOYSA-N 415.512 1.264 0 50 HDAA COC(=O)c1ccc(/C=c2/sc3nc(=O)c(Cc4ccccc4)nn3c2=O)cc1 1165391 PPVBRMCNLCXDGR-SFQUDFHCSA-N 405.435 1.436 0 50 HDAA CN(C)[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CCC(=O)NCCN1CCOCC1 14996080 WEEJWLPRGFORCS-FCHUYYIVSA-N 402.583 1.667 0 50 HDAA O=C1CC[C@@H](C(=O)N2CCC(c3ccncc3)CC2)CN1CCN1CCOCC1 19721123 SNVMAAQIKLQBGI-HXUWFJFHSA-N 400.523 1.358 0 50 HDAA CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1ccccc1OCC(N)=O 20322177 CVARKMFNSQDMPN-UHFFFAOYSA-N 402.447 1.912 0 50 HDAA CN(C)C(=O)c1nn(CC2CCCCC2)c2c1C[C@@H](NCCN1CCOCC1)CC2 23353973 UDELIARPCBQGJE-IBGZPJMESA-N 417.598 1.944 0 50 HDAA CNC(=O)[C@@H]1CCN(C(=O)c2cc(OC)ccc2OC2CCN(C(C)=O)CC2)C1 95521566 FANYEGOFIVZKGS-OAHLLOKOSA-N 403.479 1.293 0 50 HDAA Cc1cc(N2CCCN(C(=O)CC[C@@]3(CCC(=O)O)CCC(=O)N3)CC2)ccn1 223462445 WAMLAOJERMTQRC-OAQYLSRUSA-N 402.495 1.723 0 50 HDAA Cc1ccccc1[C@]1(CC(=O)N2CCN(C)[C@@H](C)C2)CC(=O)N(CCN(C)C)C1=O 299758752 OYBPZDYXTUJALO-MBSDFSHPSA-N 414.550 1.106 0 50 HDAA O=C(c1ccc(Cl)cc1C(F)(F)F)N1CCN(S(=O)(=O)c2nc[nH]n2)CC1 474904398 BVUFIFSEUDNAFV-UHFFFAOYSA-N 423.804 1.624 0 50 HDAA COc1ccc(S(N)(=O)=O)cc1C(=O)N1CCCN(c2ccncc2C)CC1 1506427375 LCHCIYHKHWQKHI-UHFFFAOYSA-N 404.492 1.399 0 50 HDAA COc1cccc(OCCN2CCN(c3cncc(C(=O)N4CCCC4)n3)CC2)c1 1529133989 KFJIEMMBOUDWNH-UHFFFAOYSA-N 411.506 1.922 0 50 HDAA CNC(=O)Cn1cc(NC(=O)[C@H](C)Sc2nnnn2-c2cccc(C)c2)cn1 1529172944 JVJMSAGJTZUWNH-LBPRGKRZSA-N 400.468 1.033 0 50 HDAA O=C1CC[C@H](c2ccccc2)CCNC(=O)CN(C(=O)c2ccnnc2)CCCN1 1875240024 FFEFVQMGSZGLAB-SFHVURJKSA-N 409.490 1.509 0 50 HDAA Cc1cnc(CNC(=O)[C@H]2CC[C@@H](NC(=O)Cc3cccc(F)c3)[C@H](O)C2)cn1 1875248763 MXJHSDOJJWIJRU-KFKAGJAMSA-N 400.454 1.429 0 50 HDAA Cc1c(C(=O)NC2CN(C(=O)COC[C@@H]3CCCOC3)C2)cnn1[C@@H](C)C(C)C 2325827473 HKOAESQTWZBRMO-DOTOQJQBSA-N 406.527 1.792 0 50 HDAA O=S1(=O)CC[C@H](S(=O)(=O)N2CCC3(CC2)OCCc2c3[nH]c3ccccc23)C1 2356169768 ZEHBSVABEVTLJX-AWEZNQCLSA-N 424.544 1.549 0 50 HDAA CN(C)CCNc1nc2c(c(O)nc(=O)n2C)n1Cc1cccc(Br)c1 1268915 GXRMLSFBABTQSE-UHFFFAOYSA-N 421.299 1.620 0 50 HDAA O=C(O)[C@H]1C2CCC(CC2)[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 6731490 FXZBYQWHEGCTQW-PCHAPFSGSA-N 424.494 1.796 0 50 HDAA Cc1nc(N2CCN(S(=O)(=O)c3ccccc3F)CC2)cc(-n2cccn2)n1 65362087 CYYUNCCRVNMROK-UHFFFAOYSA-N 402.455 1.621 0 50 HDAA Cc1nnc(CN(C)C(=O)[C@H]2[C@@H]3C=C[C@@]4(CN(c5ccc(C)c(C)c5)C(=O)[C@@H]24)O3)o1 77535271 PUSUSNXRRREDMT-UYZIEWPDSA-N 408.458 1.940 0 50 HDAA Cn1ncc(Cl)c1C(=O)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CC1 95529947 CBALUGRCJQZEEJ-UHFFFAOYSA-N 402.886 1.723 0 50 HDAA O=C1CN(C(=O)c2cccnc2)CCCNC(=O)c2cc(Cl)ccc2OCCN1 1857688897 ZUDWSEYNUNSPLG-UHFFFAOYSA-N 416.865 1.506 0 50 HDAA Cc1ncc(C(=O)N[C@@H]2CN(Cc3c[nH]nc3-c3cccc(F)c3)CC[C@@H]2O)cn1 1857701778 VXUWYHXUVNDDGO-MOPGFXCFSA-N 410.453 1.679 0 50 HDAA Cc1ccccc1CC(=O)N1CCC[C@@]2(CN(CC(=O)N3CCCC3)CC[C@H]2O)C1 1857703369 JQFPKIQUQPYXBB-ZJSXRUAMSA-N 413.562 1.835 0 50 HDAA Cc1cc2[nH]cc(C(=O)N3CCc4c(-c5ccccc5)nn(C)c4CC3)c(=O)n2n1 1857729548 PCXJYISUXJMNDL-UHFFFAOYSA-N 402.458 1.973 0 50 HDAA CC(C)(C)C(=O)CCc1cn(-c2ccc3c(c2)C(=O)N([C@H]2CCC(=O)NC2=O)C3)nn1 1875355542 MOWJEHFMCDCPNS-KRWDZBQOSA-N 423.473 1.576 0 50 HDAA Cc1nc(C)c(C(=O)N=[S@@]2(=O)CCCN(C(=O)[C@]3(F)CCOC3)CC2)s1 2332239115 XCDMRFUJOXPTAM-YHAMSUFESA-N 403.501 1.729 0 50 HDAA COc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1OC 840807 OTANRCXALRGZKZ-UHFFFAOYSA-N 406.460 1.977 0 50 HDAA COc1ccc(CCNC(=O)C(=O)NC[C@H]2COc3ccccc3O2)cc1OC 6470351 ZHNMLKYJGXYMRF-HNNXBMFYSA-N 400.431 1.319 0 50 HDAA CCN1CCC[C@H]1CN(CC1CCN(CCOC)CC1)C(=O)CCn1cncn1 12072359 VZMQDFPKKDSVAK-FQEVSTJZSA-N 406.575 1.340 0 50 HDAA O=C1C[C@H](C(=O)N2CC(=O)N(C3CCCCC3)C[C@@H](OCc3ccccc3)C2)CN1 14748804 LGBLGQBIRLSBSH-ICSRJNTNSA-N 413.518 1.711 0 50 HDAA COc1ccc(CNC(C2CC2)C2CC2)cc1OC[C@H](O)CN1CCN(C)CC1 19228296 CCQCMIDVKBOXHB-HXUWFJFHSA-N 403.567 1.961 0 50 HDAA COc1ccccc1/C=C/CN1CCNC(=O)[C@@H]1CC(=O)N(C)Cc1cc(C)[nH]n1 55198368 AONOKKDVSVGDBE-FNQPIQQGSA-N 411.506 1.589 0 50 HDAA CC(C)=CCn1c(-c2cc(C)oc2C)cn2cc(C(=O)NCCC(N)=O)nc2c1=O 72418555 RDKBPRVUYVUPQW-UHFFFAOYSA-N 411.462 1.944 0 50 HDAA COC[C@H](C)n1c(CCCC(=O)N2Cc3nc(C)[nH]c(=O)c3C2)nc2cccnc21 77378312 GMWUQJGBRBJKOR-ZDUSSCGKSA-N 410.478 1.896 0 50 HDAA CN(Cc1ccno1)C(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(CCOc4ccccc4)C(=O)[C@@H]13)O2 77386083 NSJVWNWRHNFDKE-JYLXEMOASA-N 409.442 1.494 0 50 HDAA CNc1ccnc(N2CCC(N3CCC[C@H](C(=O)NCc4ccccn4)C3)CC2)n1 82170834 MHDWITIOSMGFBP-KRWDZBQOSA-N 409.538 1.911 0 50 HDAA Cc1cc(=NC(=O)c2cc(=O)n(C)c3ccccc23)n([C@H]2CCS(=O)(=O)C2)[nH]1 334159179 VHKXVFKNSACLCA-ZDUSSCGKSA-N 400.460 1.077 0 50 HDAA O=C(Nc1ccnn1[C@H]1CCS(=O)(=O)C1)N1CCCN(c2ncccc2F)CC1 784462071 MYGHSORTYVARFB-AWEZNQCLSA-N 422.486 1.521 0 50 HDAA O=C1NC(=O)[C@]2(CCCN(C(=O)c3ccc4c(c3)C[C@@H](c3ccccc3)OC4=O)C2)N1 790235540 SCYBRQDGQYHFFR-FDDCHVKYSA-N 419.437 1.955 0 50 HDAA Cc1nnc(SCC(=O)Nc2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2C)s1 1529099190 STQBVZKWOHKKFG-LLVKDONJSA-N 401.539 1.750 0 50 HDAA Cc1c(C(=O)N2C[C@@H]3CN(C(=O)CC(C)C)C[C@@]3(CO)C2)[nH]c2c1C(=O)CCC2 1772813363 YPPGJOSIRXSDNR-NYHFZMIOSA-N 401.507 1.781 0 50 HDAA COC(=O)c1ccc(CNC(=O)[C@@]23CC[C@@H](N4CCOCC4)C[C@H]2CCNC3)cc1 1857681798 NZQDLWIHQVPRNX-TXTKFYIRSA-N 415.534 1.570 0 50 HDAA Cc1cc(C(F)(F)F)cc(N[C@@H]2C[C@@H](C(=O)NCCc3cnn[nH]3)CC[C@H]2O)n1 1857685911 ZQSAYGSLBZKEQG-NILFDRSVSA-N 412.416 1.827 0 50 HDAA Cc1ccc(-n2cccn2)cc1S(=O)(=O)N[C@@H]1C[C@H]2CO[C@@H](C3CC3)CN2C1 1857687049 JAZFRCXTIOSSKI-NZSAHSFTSA-N 402.520 1.711 0 50 HDAA Cc1noc(C)c1S(=O)(=O)N1CC[C@H]2[C@@H]1CC(=O)N2C1Cc2ccccc2C1 1857699791 YMKDCSYFNBXYPA-ROUUACIJSA-N 401.488 1.823 0 50 HDAA COCCn1nnc([C@@H]2CN(S(=O)(=O)c3cc4ccccc4s3)CCO2)n1 1857722743 MPNQMSRNLCNKSV-ZDUSSCGKSA-N 409.493 1.296 0 50 HDAA Cc1ccc2nc(C(=O)N[C@@H]3CN(c4nc(C(C)C)no4)CC[C@@H]3O)c(F)n2c1 1857737707 ZKJZAUHAIMREGB-OLZOCXBDSA-N 402.430 1.658 0 50 HDAA CC(C)c1ccc([C@@H](C)NC(=O)CN(C)CC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 1875253131 RLHNARMYFCHBKN-CRAIPNDOSA-N 409.552 1.222 0 50 HDAA O=S1(=O)C[C@@H](S(=O)(=O)c2ccccc2)[C@H](S(=O)(=O)c2ccccc2)C1 4070214 VWKRTHCBULCWPF-HZPDHXFCSA-N 400.499 1.100 0 50 HDAA COc1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1C(=O)N1CCOCC1 4999258 CTGASGHLIZVVBF-UHFFFAOYSA-N 416.499 1.915 0 50 HDAA CC(C)Oc1cccc(C(=O)[C@H]2CCCN(C(=O)c3cc(=O)n(C)c(=O)n3C)C2)c1 11705577 MOFAIMQKWUTUOS-INIZCTEOSA-N 413.474 1.606 0 50 HDAA O=C1CN(Cc2cccc(OC[C@@H](O)CN3CCOCC3)c2)CCN1C1CCCC1 12075187 IMUTUWXGGKBDDC-NRFANRHFSA-N 417.550 1.345 0 50 HDAA Cc1nc(CCNC(=O)C[C@@H]2C(=O)NCCN2C2Cc3ccccc3C2)sc1C 12595606 ILTIJXHBRILEOJ-LJQANCHMSA-N 412.559 1.777 0 50 HDAA COc1ccc(OC[C@H](O)CN2CCC(O)CC2)c(CNCC2(O)CCCCC2)c1 15066574 GUMOXUSRAUAGED-HXUWFJFHSA-N 422.566 1.676 0 50 HDAA CS(=O)(=O)N(CCc1ccccc1)CC(=O)N1CCN(Cc2ccccc2)CC1 19832108 CWEITHQGTWBEKE-UHFFFAOYSA-N 415.559 1.835 0 50 HDAA COc1ccccc1C(=O)NCCNC(=O)c1nc(Cn2cc(Cl)cn2)no1 20274739 KBCIZKCCEQNFAG-UHFFFAOYSA-N 404.814 1.136 0 50 HDAA COC(=O)C1=C(O)[C@H](C(=O)OC)[C@]23CCCC[C@@]12[C@H](C(=O)OC)C(O)=C3C(=O)OC 101083957 KRFQNBNYNBJKLD-QXLXRHSLSA-N 424.402 1.109 0 50 HDAA O=C(Nc1ccc(OCC(=O)N2CCOCC2)cc1)c1cc(-c2ccccn2)[nH]n1 952974327 ICGYYWBPAIXFQC-UHFFFAOYSA-N 407.430 1.962 0 50 HDAA CC1=C(CN2C[C@@H]3CN(S(=O)(=O)c4cn[nH]c4)C[C@]3(CO)C2)C(C)(C)CCC1 1772806744 KDCRVXZPRSZJID-UZLBHIALSA-N 408.568 1.851 0 50 HDAA Cc1ccc2nc(N3C[C@H](C(=O)NC4CCS(=O)(=O)CC4)CC3=O)sc2c1 1857727890 DSOQJTPPSUGVKK-GFCCVEGCSA-N 407.517 1.651 0 50 HDAA COc1ccccc1-c1cccc(C(=O)N[C@@H]2COC[C@H]2CS(=O)(=O)N(C)C)c1 1875249492 WFVHYUACDDZXKG-PKOBYXMFSA-N 418.515 1.998 0 50 HDAA CS/C=C/C(=O)N[C@@H](CNC(=O)c1cc(=O)n(-c2nc(C)cc(C)n2)[nH]1)C1CC1 2325872286 QJMVHBBJPWBELL-LFAOLKIESA-N 416.507 1.074 0 50 HDAA Cc1cn2c3c(=O)n(CCN4CCCCC4)c(=O)n(C)c3nc2n1C[C@@H]1CCCO1 4314243 MHZDUMOBXNXZTB-INIZCTEOSA-N 414.510 1.123 0 50 HDAA Cc1cn2c3c(=O)n(Cc4ccccc4Cl)c(=O)n(C)c3nc2n1CCN(C)C 6665379 SAOSWHXYYQAKCM-UHFFFAOYSA-N 414.897 1.721 0 50 HDAA COCCOc1ccc(C(=O)N2CCNC(=O)[C@H]2CC(=O)OC2CCCCC2)cc1 12137721 FMMLUKWBAJDXQS-LJQANCHMSA-N 418.490 1.918 0 50 HDAA CC(C)Cn1nc(C(=O)NC2CCCC2)c2c1CCN(C(=O)[C@@H]1CNC(=O)C1)C2 14748164 OBKMJZMYOWVAGH-AWEZNQCLSA-N 401.511 1.232 0 50 HDAA COc1ccc(CN(C)Cc2cc(C)[nH]n2)cc1OC[C@@H](O)CN1CCN(C)CC1 20774529 ZCCPHYLCWJZONV-FQEVSTJZSA-N 417.554 1.346 0 50 HDAA Cc1cc(N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)nc(N2CCOCC2)n1 65365204 CKMGDNPFQFNNFH-UHFFFAOYSA-N 421.498 1.272 0 50 HDAA COCCNC(=O)c1ccc(OC)cc1OC1CCN(c2ccnc(N)n2)CC1 95523040 NQKHBFOWQYQRAR-UHFFFAOYSA-N 401.467 1.491 0 50 HDAA O=C1N[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)c2cccnc2)[C@](O)(C(F)(F)F)N1 170620758 NGXKDHNDHYWXGJ-VBQJREDUSA-N 409.320 1.914 0 50 HDAA CCN1CCC[C@H]1CNC(=O)C[C@H]1NC(=O)N(Cc2ccc(OC)c(OC)c2)C1=O 223223060 NKWRFWXZSZUDIA-JKSUJKDBSA-N 418.494 1.115 0 50 HDAA CC[C@H](O)CN1CCN(S(=O)(=O)c2cnc(Cl)c(Br)c2)CC1 253420704 ZTVZFBVWNOKADX-JTQLQIEISA-N 412.737 1.575 0 50 HDAA CO[C@H]1CN(C)C[C@@H]1NC(=O)c1csc2c1CCN(Cc1c(C)noc1C)C2 426471029 ZOVCVKXWHGIDLV-ROUUACIJSA-N 404.536 1.970 0 50 HDAA COCC(=O)Nc1ccc(NC(=O)C2CCN([C@H]3CCS(=O)(=O)C3)CC2)cc1C 952986199 JZYUTDPABWVFQM-KRWDZBQOSA-N 423.535 1.418 0 50 HDAA Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1NC(=O)c1cccc(S(C)(=O)=O)c1 1506420536 HVEADDLVRDYFAX-AWEZNQCLSA-N 411.505 1.515 0 50 HDAA Cc1cc(N2CCC(N3C[C@@H](COc4ccc(F)cc4)OCC3=O)CC2)nc(=N)[nH]1 1857686116 IOUIDESLRJBIOI-SFHVURJKSA-N 415.469 1.612 0 50 HDAA CNC(=O)Cn1cc(-n2ccnc2-c2cc3c(nc2OC)CN(C(C)C)C3=O)cn1 1857703445 PXOMNRWNVJCHTP-UHFFFAOYSA-N 409.450 1.250 0 50 HDAA O=C([C@H]1CCOC1)N1CCC[C@@](Cc2cn(CCc3ccccc3)nn2)(C(=O)O)C1 1875324503 BCHWIJPRYBXVEF-AVRDEDQJSA-N 412.490 1.793 0 50 HDAA COC(=O)[C@@H]1C[C@@H](n2cc(-c3ccc4c(c3)NCCO4)nn2)CN1C(=O)[C@@H]1C[C@H]1C 2325873083 YRWZVHKOTYZSPP-DRRHNWJESA-N 411.462 1.720 0 50 HDAA COc1ccc(CN(C(=O)/C=C/C(=O)O)[C@@H]2CC(=O)N(c3ccccc3)C2=O)cc1 842647 RLEJWWMLEJMKFX-IENJSVCTSA-N 408.410 1.997 0 50 HDAA O=C(C1CCN([C@H]2CC(=O)N(c3ccc(Cl)cc3)C2=O)CC1)N1CCOCC1 1068526 AVWVPWYKQWSJRZ-KRWDZBQOSA-N 405.882 1.543 0 50 HDAA CCOC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)OCC)[C@H]1c1ccc(NC(C)=O)cc1 4476988 SWCVXGVAEYQOLS-OOSNJVJTSA-N 405.447 1.811 0 50 HDAA COc1cc(CNCCn2ccnc2C)ccc1OC[C@@H](O)CN1CCOCC1 11816803 WORHZOPCTAIHHU-IBGZPJMESA-N 404.511 1.062 0 50 HDAA COC(=O)C1CCN(C[C@@H](O)COc2cccc(CN(C)C3CCOCC3)c2)CC1 15066391 YBAHOJQFPCWSGA-OAQYLSRUSA-N 420.550 1.922 0 50 HDAA COCCS(=O)(=O)c1ncc(CN(C)Cc2ccno2)n1Cc1ccccc1 23339784 FKGQBEHTHAJGEH-UHFFFAOYSA-N 404.492 1.972 0 50 HDAA Cc1nc(N2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)cc(-n2ccnc2)n1 67629552 JLLRGSYBCBSNKC-UHFFFAOYSA-N 420.445 1.760 0 50 HDAA Cc1cc(CNS(=O)(=O)c2ccc3c(c2)CCN(C(=O)COC(C)C)C3)no1 77437153 FZBHNWJSKRMDBR-UHFFFAOYSA-N 407.492 1.771 0 50 HDAA Cn1cc([C@H]2C[S@@](=O)CCN2C(=O)COc2cccc(Br)c2)cn1 170614424 HBKCNRRYTAHTFI-MYYSRTQBSA-N 412.309 1.894 0 50 HDAA COC(=O)C[C@@H](c1ccc(C(=O)O)cc1)c1oc(CN2CCOCC2)cc(=O)c1O 217734238 BBQCRPPYGCFNBK-INIZCTEOSA-N 417.414 1.571 0 50 HDAA biogenic Cc1cc(NS(=O)(=O)c2ccc(NC(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C(=O)O)cc2)no1 225750517 AXMOQMWHHSRTLD-VDERGJSUSA-N 421.431 1.601 0 50 HDAA COc1ccc(CNC(=O)[C@H](C)OC(=O)CCN2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1 248318087 OAHYDIARGJYGKX-BMGDILEWSA-N 416.474 1.808 0 50 HDAA Br[C@]12[C@@H]3[C@@H]4[C@H]1[C@H]1[C@@H]([C@H]3[C@]4(Br)C13OCCO3)C21OCCO1 252428103 PZFGXDAAPJFEHR-KMFRLLODSA-N 406.070 1.505 0 50 HDAA Cc1cc(S(N)(=O)=O)ccc1CNC(=O)[C@H](c1ccccc1F)N1CCOCC1 446955674 AKAJKKRVWQMBNO-IBGZPJMESA-N 421.494 1.471 0 50 HDAA O=C(Cn1cnc2ccccc2c1=O)NC12C[C@@H]3C[C@H](C1)CC(n1ncnn1)(C3)C2 828003477 FWRKKSLFVYVQCV-XFKLWTPLSA-N 405.462 1.247 0 50 HDAA CN1C[C@H]2CN(c3cc4c(nn3)CCN(C(=O)C[C@H](O)CC(C)(C)C)C4)C[C@H]2C1 952890949 OLJDWBUCIGNHJV-KSZLIROESA-N 401.555 1.546 0 50 HDAA CCN1CC[C@@H]2C[C@@H](N3CCOCC3)CC[C@@]2(C(=O)NCCc2nnc(C)s2)C1 1857694591 FDGHHWUKNYSAKP-LVCYWYKZSA-N 421.611 1.718 0 50 HDAA CC(C)c1cccc(CNC(=O)N[C@H]2CCCN(S(=O)(=O)N3CCOCC3)C2)c1 1875262291 KCXCCWSXCSAYRV-IBGZPJMESA-N 424.567 1.651 0 50 HDAA Cn1ncc(S(=O)(=O)NC2(c3ccc(F)c(Br)c3)CC2)c1C(=O)O 2325828845 SLHDZQKERYQAOO-UHFFFAOYSA-N 418.244 1.988 0 50 HDAA O=C1CC[C@H](N2Cc3ccc(CNC(=O)Nc4ccccc4F)cc3C2=O)C(=O)N1 2325886925 OAPMRJCOHBBCBC-KRWDZBQOSA-N 410.405 1.908 0 50 HDAA O=C1CC[C@@H](N2Cc3cc(C(=O)Nc4cccc5c4CNC5)ccc3C2=O)C(=O)N1 2325896312 VXMUKWXJJRUYTF-GOSISDBHSA-N 404.426 1.303 0 50 HDAA CCOC(=O)c1ccc(NC(=O)CN(c2ccc3c(c2)OCO3)S(C)(=O)=O)cc1 1110742 HZGCERSUXYUQJK-UHFFFAOYSA-N 420.443 1.997 0 50 HDAA CCn1c(CC(=O)Nc2cccc(OC)c2)nnc1SCC(=O)N1CCOCC1 6702298 QLCGWLJTNLXECA-UHFFFAOYSA-N 419.507 1.439 0 50 HDAA COCCn1c(CN(C)Cc2cnc3ccccn23)cnc1S(=O)(=O)CC1CC1 12303101 MCUBDVMDYVNXHB-UHFFFAOYSA-N 417.535 1.993 0 50 HDAA COCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1cc(OC)ccc1Cl 13554313 UZLSKEXFONBEDA-UHFFFAOYSA-N 407.858 1.202 0 50 HDAA COCCN1C(=O)N(Cc2cccc(OC)c2)C(=O)C12CCN([C@H](C)COC)CC2 14542251 DPUVMTRPEIOFEW-QGZVFWFLSA-N 419.522 1.975 0 50 HDAA CC(C)C[C@H]1NC(=O)[C@@H]2C[C@H](NCc3cccc(OCCN(C)C)c3)CN2C1=O 14747980 YZDNKFUOXWJVBY-SXLOBPIMSA-N 402.539 1.231 0 50 HDAA Cn1c(=O)[nH]c(=O)c2c1nc(SCCN1CCOCC1)n2CCc1ccccc1 19892659 VTLFRQSZVYSVRS-UHFFFAOYSA-N 415.519 1.090 0 50 HDAA COc1ccc(-c2cn3cc(C(=O)NCCO)nc3c(=O)n2CC2CC2)c(F)c1 72462983 YQGRTCFNTSXECO-UHFFFAOYSA-N 400.410 1.443 0 50 HDAA CN(C)[C@@H]1CCN(CCN2CC3(CCN(C(=O)c4cccc(O)c4)CC3)OC2=O)C1 72470129 DZFJBJWLMNBPDV-GOSISDBHSA-N 416.522 1.455 0 50 HDAA CCc1cc(N2CCC(N[C@H](C)c3nc(C)no3)CC2)nc(N2CCOCC2)n1 95531639 SNVGMDRULSKQCP-CQSZACIVSA-N 401.515 1.887 0 50 HDAA COCCn1cc([C@@H]2[C@H](C(=O)NC[C@H](O)C(C)(C)C)CC(=O)N2C(C)(C)C)cn1 225460291 UDHHHJHKRRWMRL-SOLBZPMBSA-N 408.543 1.741 0 50 HDAA CC(=O)N1CCCC[C@@H]1CCS(=O)(=O)N1CCC[C@@H]1CN1C[C@H](C)O[C@H](C)C1 253432820 OOFKIKYAMIQVKB-PIKOESSRSA-N 415.600 1.681 0 50 HDAA COCCN1Cc2cc(C(=O)NCCc3nc4ccccc4n3C)ccc2OCC1=O 263618078 RDIRWHFCPQJCMT-UHFFFAOYSA-N 422.485 1.913 0 50 HDAA Cc1ccccc1[C@@]1(CC(=O)N2CCN(C)[C@@H](C)C2)CC(=O)N(CCN(C)C)C1=O 299758740 OYBPZDYXTUJALO-FDDCHVKYSA-N 414.550 1.106 0 50 HDAA C[C@H](O)[C@@H]1CCN(C(=O)C(=O)NC[C@H](c2ccccc2Cl)N2CCOCC2)C1 328590089 WXKJSGOTGYMCEO-HDMKZQKVSA-N 409.914 1.059 0 50 HDAA Cc1c(C(=O)N2CCc3c(F)ccc(F)c3C2)cnc2c1c(=O)n(C)c(=O)n2C 438941984 NWIQDRJVCSZALU-UHFFFAOYSA-N 400.385 1.417 0 50 HDAA O=C1CN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)c2ccncc2N1 465165576 MQGUZTHQZYXCPX-AWEZNQCLSA-N 400.460 1.468 0 50 HDAA Cc1ccc(C(=O)NC[C@@H]2CCCN(C(=O)CCn3ccc(O)nc3=O)C2)s1 952964607 MTLLCGDSNMAJBU-AWEZNQCLSA-N 404.492 1.378 0 50 HDAA CCNC(=O)[C@H]1CCN(S(=O)(=O)c2ccc(-c3cc(C(F)(F)F)n[nH]3)o2)C1 952981143 CKFREPSNPJOJCA-VIFPVBQESA-N 406.386 1.835 0 50 HDAA COCc1nnc(NC(=O)CN2C[C@@H](O)[C@H](Cc3ccnc4ccccc34)C2)s1 1704301439 ZOSUTYOYZRRYLZ-RHSMWYFYSA-N 413.503 1.707 0 50 HDAA O=C(CN1CCOc2ccccc2C1)N1CC[C@H]2[C@@H](C1)CN2C(=O)C1CCOCC1 1775984367 QYNNIJROWRJQAR-PMACEKPBSA-N 413.518 1.367 0 50 HDAA CC1(C(=O)N2CCC(N3C[C@@H](COc4ccc(F)cc4)OCC3=O)CC2)COC1 1857671424 XDDZMCCAOCVWQN-SFHVURJKSA-N 406.454 1.459 0 50 HDAA CCN1CC[C@@H]2C[C@@H](N3CCOCC3)CC[C@@]2(C(=O)NCc2nnc3n2CCC3)C1 1857684682 YABNNADOEMBHHY-KGVIQGDOSA-N 416.570 1.053 0 50 HDAA CN(C)C[C@@H]1OCCN(C(=O)c2cnn(Cc3ccccc3)c2)[C@H]1c1cnn(C)c1 1857694397 AHQWFMANJGXESR-SFTDATJTSA-N 408.506 1.809 0 50 HDAA CCC(CNC(=O)c1cnn2ccc(C)nc12)CNC(=O)c1cnn2ccc(C)nc12 1875257227 RWJBPGKTZMGEJR-UHFFFAOYSA-N 420.477 1.575 0 50 HDAA O=C(CN1C(=O)CNC1=O)N1CCC2(CCc3c(O)nc(-c4ccccc4)nc32)CC1 1940197746 NLNNCPOJZDGRPQ-UHFFFAOYSA-N 421.457 1.207 0 50 HDAA COC(=O)CN1C[C@@H](O)[C@]2(C1)[C@H](c1ccccc1)[C@H]2CNC(=O)Cc1ccccc1 2100547210 DVEDURXYEPDEHN-FAYOUJPWSA-N 408.498 1.595 0 50 HDAA COc1cc(-c2o[nH]c(=NCCn3c(C)cc(C)nc3=O)c2C(=O)O)ccc1F 2356145347 MJOJYHPZERUIDU-UHFFFAOYSA-N 402.382 1.895 0 50 HDAA Cc1nonc1N1CCN(C(=O)c2cc3c(s2)C2(CCNCC2)OCC3)CC1 2356149583 KIKSLDGCTYFWTL-UHFFFAOYSA-N 403.508 1.553 0 50 HDAA CSCC[C@H](N)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O 9212678 CHDYFPCQVUOJEB-BBWFWOEESA-N 409.552 1.410 0 50 HDAA biogenic O=C1CCCN1CCCN1C[C@@H](C(=O)N2CCN(c3ccccc3)CC2)CCC1=O 12318909 NVMXTBMDPKZVGH-IBGZPJMESA-N 412.534 1.586 0 50 HDAA O=S1(=O)CC[C@H](N(CCO)c2nncc(-c3cccc(C(F)(F)F)c3)n2)C1 19782190 FQQJNPFJFDSIQW-ZDUSSCGKSA-N 402.398 1.543 0 50 HDAA O=C(Cc1ccc(F)cc1)NCCc1nnc2n1CCN(Cc1cccnc1)CC2 20600998 RPIPNDHEJUJJGV-UHFFFAOYSA-N 408.481 1.772 0 50 HDAA CCN1CCN(C[C@@H](O)COc2cccc(CNCC3(O)CCCCC3)c2)CC1 23358458 BFRHSLCIAWABNE-OAQYLSRUSA-N 405.583 1.849 0 50 HDAA O=C1CN(C(=O)CCC(=O)Nc2nc3ccc(OC(F)(F)F)cc3s2)CCN1 40266467 QQZWIBUYMJZGJQ-UHFFFAOYSA-N 416.381 1.872 0 50 HDAA COc1ccc(S(=O)(=O)N2CCN(c3cc(-n4ccnc4)ncn3)CC2)cc1 67621171 NNKXKEYGLKHZIJ-UHFFFAOYSA-N 400.464 1.182 0 50 HDAA Cc1cc(F)ccc1N1C[C@]23C=C[C@H](O2)[C@H](C(=O)N(C)CCc2cn[nH]c2)[C@H]3C1=O 77439113 JWYLITILGZERTI-OZIGNCPNSA-N 410.449 1.845 0 50 HDAA COc1ccc(CCN2C(=O)[C@@H](CC(=O)NCc3cccnc3)N=C2O)cc1OC 252570774 XDNZAGLPNRVFTL-MRXNPFEDSA-N 412.446 1.473 0 50 HDAA CN(C)CCNC(=O)Cn1cc(NC(=O)c2c[nH]nc2-c2cc3ccccc3o2)cn1 444099256 JUHIPZKJLMBEPR-UHFFFAOYSA-N 421.461 1.950 0 50 HDAA Cc1ccc2c(c1)C(=O)N([C@@H](C)C(=O)Nc1cccc(NS(N)(=O)=O)c1)C2=O 485768582 WLENUFKCGGQUTR-NSHDSACASA-N 402.432 1.234 0 50 HDAA O=C(N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)C1(O)Cc2ccccc2C1 1318911847 IEZIHHSMEIQJKL-UHFFFAOYSA-N 404.463 1.189 0 50 HDAA O=C(CN1CCC(C(=O)NCc2ccco2)CC1)Nc1nnc([C@H]2CCCO2)s1 1506412381 XVIPSHDQZRXLIO-OAHLLOKOSA-N 419.507 1.950 0 50 HDAA Cc1c(O)cccc1C(=O)N[C@@H]1CS(=O)(=O)[C@H]2CN(Cc3ccncc3)C[C@@H]12 1857691383 ITPKOHIJCNTPSG-SCTDSRPQSA-N 401.488 1.123 0 50 HDAA O=C(NC[C@H]1[C@H]2CN(S(=O)(=O)c3cn[nH]c3)C[C@]23CC[C@H]1O3)c1cccc(F)c1 1857736262 HPRNIKKQHCHGOL-DODZYUBVSA-N 420.466 1.147 0 50 HDAA O=C1NCCCN(C(=O)C2CC2)CCN2C(=O)[C@@]3(c4ccccc42)[C@H]1C[C@@H]1CCCN13 1875240772 IGDKVOVBLPWXLI-WVMBUTMQSA-N 422.529 1.471 0 50 HDAA NC(=O)Cn1ncc(NC[C@H](CO)Cc2ccccc2C(F)(F)F)c(Cl)c1=O 1875263402 GQYSUSYBXYOTOX-SNVBAGLBSA-N 418.803 1.664 0 50 HDAA COC[C@H](O)Cn1cc(-c2cccc(C(=O)NCc3ccc(C(=O)O)c(C)c3)c2)nn1 1875354003 NVJODDFUJRBTTR-GOSISDBHSA-N 424.457 1.889 0 50 HDAA O=C(NCc1ccnc(CNC(=O)c2cnc3ccccn3c2=O)c1)c1ccc[nH]1 2100482235 JVEOXLNYIFJIQS-UHFFFAOYSA-N 402.414 1.278 0 50 HDAA CN(C)CC(=O)N[C@H](CNC(=O)c1cc(-c2cccn2C)[nH]n1)c1ccccc1F 2325872236 OEMAACZSOAZNEH-GOSISDBHSA-N 412.469 1.703 0 50 HDAA COC(=O)[C@H]1C[C@@H](C(=O)N2[C@H]3CC[C@@H]2C[C@@H](NC(=O)[C@@H]2CCc4c[nH]nc4C2)C3)C1 2325872599 GCMXAYWYLRHRBP-XNNFIENISA-N 414.506 1.352 0 50 HDAA COC(=O)[C@H]1C[C@H]2CN(Cc3ccn4ncnc4c3)CC(=O)N2[C@H]1c1ccccc1 2356163742 PJILAEVWQFBUNR-WFXMLNOXSA-N 405.458 1.676 0 50 HDAA COC[C@@H](C)NC(=O)C1CCN(S(=O)(=O)c2cc(Cl)ccc2OC)CC1 4488419 YWONMIQUOGMDQF-GFCCVEGCSA-N 404.916 1.900 0 50 HDAA C[C@@H](Cn1cncn1)NC(=O)c1coc(CN2CCN(c3ccccc3F)CC2)n1 55108124 PONWSXVMQRAGIQ-HNNXBMFYSA-N 413.457 1.546 0 50 HDAA COc1ccc(CCN2C(=O)N[C@H](CC(=O)N[C@@H]3CCOC(C)(C)C3)C2=O)cc1 206233649 JKUYAVNCVKMHQA-NVXWUHKLSA-N 403.479 1.622 0 50 HDAA CCOC(=O)[C@@H]1CCCN(CC2=C(C(=O)OC)[C@@H](c3ccccc3)NC(=O)N2)C1 226945533 YIPPNBKDVYMHBP-CRAIPNDOSA-N 401.463 1.743 0 50 HDAA COc1ccc(CN2C(=O)[C@@H](CC(=O)N[C@H](CO)Cc3ccccc3)N=C2O)cc1 253535922 VMNFHQKJFYIYGU-PKOBYXMFSA-N 411.458 1.430 0 50 HDAA O=c1cc(N2CCC(O)CC2)cnn1[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 328604906 LTGJQXTWUFUUEK-INIZCTEOSA-N 418.519 1.230 0 50 HDAA COCCn1cnnc1CN(C)S(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2 952989366 WQWPYWLIPFZGHS-UHFFFAOYSA-N 401.448 1.464 0 50 HDAA CCn1nc(C)c(NC(=O)CN2C[C@H]3CN(Cc4nccs4)C[C@@]3(CO)C2)c1C 1772804572 ATEVTAQKSSCFMT-OXJNMPFZSA-N 418.567 1.341 0 50 HDAA C[C@]1(C(=O)N[C@@H]2[C@H]3CC[C@@H]2CN(C(=O)CCn2ccccc2=O)C3)CCCCO1 1857683960 SRKLDASMFXSKNQ-HBCLNWRISA-N 401.507 1.551 0 50 HDAA O=C(Nc1cccc(-c2nn[nH]n2)c1)C1CCN(S(=O)(=O)N2CCCCC2)CC1 1875258117 QSPDFIMCDWLVSF-UHFFFAOYSA-N 419.511 1.248 0 50 HDAA O=C1NC(=O)[C@@]2(CCCC[C@H]2NC(=O)c2ccc(S(=O)(=O)C3CCC3)cc2)N1 1875329024 ZJGBUJZVEBCWID-BEFAXECRSA-N 405.476 1.263 0 50 HDAA C[C@H](Oc1ccc(F)cc1)C(=O)N1CC(CO)(NC(=O)c2ccc(C(F)F)cn2)C1 2325827889 TVHDPRVVEJCXAJ-LBPRGKRZSA-N 423.391 1.929 0 50 HDAA Cn1nnc(C(=O)N2CCCN(C(=O)[C@H](O)C3CCCC3)CC2)c1C(F)(F)F 2325828901 UXDPPJCDNFVPNQ-CYBMUJFWSA-N 403.405 1.060 0 50 HDAA CC1CCN(Cc2nnnn2CCCC(=O)NC[C@H](C)Oc2cccnc2)CC1 12434617 UPOYOHZFMJYPEZ-KRWDZBQOSA-N 401.515 1.664 0 50 HDAA COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)N(C)Cc2nccs2)cc1OC 12709436 XLPYVUXJZYLVPC-HNNXBMFYSA-N 418.519 1.509 0 50 HDAA O=C1CN(C(=O)c2cccnc2)C[C@@H](OCc2ccncc2)CN1CC1CCOCC1 14748263 FFKQPBFVWSTNJK-NRFANRHFSA-N 424.501 1.773 0 50 HDAA CCN1CCC[C@H]1CN(CC1CCN(CCOC)CC1)C(=O)c1ccc[n+]([O-])c1 15072155 WMKAWLQDYDUZND-NRFANRHFSA-N 404.555 1.605 0 50 HDAA CCn1cc(S(=O)(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)c(C)n1 17089928 KMXCDPOAHUXDMC-UHFFFAOYSA-N 414.509 1.033 0 50 HDAA Cc1ccc(N2C(=O)C[C@H](NCc3ccc(S(N)(=O)=O)cc3)C2=O)cc1Cl 18250385 XAJPBZPBFNLVTK-INIZCTEOSA-N 407.879 1.718 0 50 HDAA O=C(NCCN1CCOCC1)c1ccc(NC(=O)[C@@H]2COc3ccccc3O2)cc1 20000919 KORNLDOGDIDEBC-FQEVSTJZSA-N 411.458 1.527 0 50 HDAA O=C(C[C@@H]1C(=O)NCCN1Cc1ccccc1C(F)(F)F)NCCn1cccn1 55100316 RUDRXEHPKNYSNC-MRXNPFEDSA-N 409.412 1.409 0 50 HDAA O=C([C@@H]1CCCN(C2CCN(c3cc(NCCO)ncn3)CC2)C1)N1CCCC1 71763631 CERGKJWJPONHPJ-QGZVFWFLSA-N 402.543 1.184 0 50 HDAA COc1cccc(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N3CCC(F)CC3)[C@H]4C2=O)c1 77323454 VECDDYIYDVSALJ-WEMPKCCASA-N 400.450 1.938 0 50 HDAA COC(=O)c1cn(CCS(=O)(=O)N2CCCc3ccccc32)cc2c(=O)[nH]nc1-2 263587551 IEGUGHIUFMBVQG-UHFFFAOYSA-N 416.459 1.245 0 50 HDAA O=C(Cc1ccc(O)cc1)NC[C@@H]1CN(CC2CCN(CC3CC3)CC2)C(=O)CO1 299801525 YZJYHPBEAYHBOW-OAQYLSRUSA-N 415.534 1.400 0 50 HDAA CC[C@@H](CO)N1CCN(S(=O)(=O)c2ccc(NC(=O)c3ccccn3)cc2)CC1 408521534 XWDBNLJBQLQHFC-KRWDZBQOSA-N 418.519 1.411 0 50 HDAA O=C(CSc1ccncc1)NC[C@@H]1CN(C2CCN(C3CCC3)CC2)C(=O)CO1 426432059 UFGPYVQOMZLNNK-GOSISDBHSA-N 418.563 1.534 0 50 HDAA C[C@@H](O)CNS(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)CC(=O)N3C)cc1 1336458159 VKGCXJZFLITBHP-GFCCVEGCSA-N 403.460 1.117 0 50 HDAA COc1ccc(C(=O)N2CCC(C(=O)N(CCO)Cc3cncn3C)CC2)cc1 1704304087 MTNQWTCKCIWRQO-UHFFFAOYSA-N 400.479 1.302 0 50 HDAA O=C(CN1C(=O)CNC1=O)N1CCC[C@@]2(CCc3cnc(-c4ccccc4)nc32)C1 1704332145 PYFXCOPQPKUHFI-JOCHJYFZSA-N 405.458 1.502 0 50 HDAA Cc1nnc(N2C[C@H](C(=O)NC3CCN(Cc4cccnc4)CC3)CC2=O)s1 1857722930 PYDFVZXRFRWBSJ-OAHLLOKOSA-N 400.508 1.375 0 50 HDAA C=CC(=O)N[C@H](CNC(=O)c1cc2n(n1)C[C@H](C)NC2=O)c1ccc(C(C)C)cc1 1875386625 VTKOAWSUOYCKMU-KBXCAEBGSA-N 409.490 1.912 0 50 HDAA CC(C)=CCC/C=C/C(=O)NC1CN(C(=O)C2CCC3(CC2)NC(=O)N(C)C3=O)C1 2325872941 SNOMNSOWIFTAKB-SOFGYWHQSA-N 416.522 1.727 0 50 HDAA O=C(NC[C@@H]1[C@@H](c2ccccc2)[C@]12CN(Cc1cc[nH]n1)C[C@H]2O)c1ccccn1 2356161210 KTHOIFOZHTURCH-KTDPBYDISA-N 403.486 1.811 0 50 HDAA CCOC(=O)COc1ccc(/C=C2/SC(=O)N(CC(=O)OC)C2=O)cc1OC 1138486 SKSLBKVGXVLPAU-RIYZIHGNSA-N 409.416 1.846 0 50 HDAA COc1cccc(OC)c1CN1CCc2nnc(CNC(=O)c3ccccn3)n2CC1 14967610 MZHURADHMSCUFQ-UHFFFAOYSA-N 422.489 1.679 0 50 HDAA Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3c(C)noc3C)CC2)n1 72438022 UUWLUTNDMHVYMS-UHFFFAOYSA-N 420.539 1.891 0 50 HDAA COc1cc(N2CCC3(CC2)CN(CCCN2CC[C@H](N(C)C)C2)C(=O)O3)ncn1 77319850 KKOUYPILHRJBQG-KRWDZBQOSA-N 418.542 1.302 0 50 HDAA O=C(O)CC[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]12 138597953 OGTJCJYPJNNMEM-YIKPNSEUSA-N 419.437 1.472 0 50 HDAA C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12C=C[C@H](O)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)OCOC(C)=O 200046934 IVIYFJSPDLOPEX-AXKFECAUSA-N 418.442 1.006 0 50 HDAA O=C(C[C@H]1N=C(O)N(Cc2cccc(F)c2)C1=O)N1CCN(c2ccccn2)CC1 253394544 FDISCQZKNLTLTP-QGZVFWFLSA-N 411.437 1.584 0 50 HDAA COCCNC(=O)[C@@H]1C[C@H](NC2CCN(Cc3ccccc3)CC2)CN1C(C)C 299758799 PQGZQKHHSSQBSP-VXKWHMMOSA-N 402.583 1.855 0 50 HDAA O=C(NC12C[C@@H]3C[C@H](C1)CC(n1ncnn1)(C3)C2)[C@@H]1CC(=O)N(c2cccc(O)c2)C1 670465116 RAHOYLCSZAFYMH-BCTUTRRWSA-N 422.489 1.596 0 50 HDAA COc1cc(CN2C[C@H](O)[C@H](Cc3ccncc3)C2)cc(Cl)c1OCC(N)=O 1529099459 XWBDTPKJMDYJOW-WBVHZDCISA-N 405.882 1.643 0 50 HDAA CN(C1CCCCC1)S(=O)(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 1857799949 PVYMLFPIAKKZKB-UHFFFAOYSA-N 402.538 1.661 0 50 HDAA CCN1C[C@H](C(=O)N2CCCC[C@H](NC(=O)c3cc(N)ccc3F)C2)CCC1=O 2325863968 BGXQBSMKMXIZJA-ZBFHGGJFSA-N 404.486 1.777 0 50 HDAA Cc1ccc(C(=O)N[C@H]2CCS(=O)(=O)C2)cc1S(=O)(=O)N1CCCCC1 4196242 IKEIQXXOQHLRNC-HNNXBMFYSA-N 400.522 1.087 0 50 HDAA O=C(O)c1cc(Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)ccc1Cl 4271860 FPDXXPAYGWNPGL-UHFFFAOYSA-N 420.857 1.640 0 50 HDAA COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccccc3C(N)=O)C2)cc1 6646674 WWBVXWRPGZGDQB-AWEZNQCLSA-N 417.487 1.834 0 50 HDAA COCC(=O)N1CCC(Oc2ccc(C(=O)N[C@H]3CCCCNC3=O)cc2)CC1 11879379 UQYNCECDILBLLW-SFHVURJKSA-N 403.479 1.101 0 50 HDAA COC(=O)C1CCN(C[C@H](O)COc2ccc(CNCCn3ccnc3)cc2)CC1 12445709 IZWGRLXVKFOKJV-FQEVSTJZSA-N 416.522 1.298 0 50 HDAA CSc1cccc(NC(=O)N[C@H]2C[C@H]3C(=O)N[C@@H](CCCCN)C(=O)N3C2)c1 14748544 RQFVJPGAVMHPAX-BPUTZDHNSA-N 405.524 1.127 0 50 HDAA CN1CCN(C(=O)CC[C@H]2CN(Cc3ccccc3)CC[C@H]2N2CCOCC2)CC1 14993928 VRVCTLWREIRVOO-XZOQPEGZSA-N 414.594 1.764 0 50 HDAA CN1CCN(S(=O)(=O)c2ccc(NC(=S)NC(=O)C3CCCC3)cc2)CC1 36007059 HDMUCGGDWMXQOG-UHFFFAOYSA-N 410.565 1.626 0 50 HDAA Cc1cc(CNS(=O)(=O)c2ccc3c(c2)CCN(S(=O)(=O)C(C)C)C3)no1 77284798 WZLUKIVHTSYOKO-UHFFFAOYSA-N 413.521 1.558 0 50 HDAA CCc1nnc(CN(C)C(=O)[C@H]2[C@@H]3C=C[C@@]4(CN(c5ccc(F)cc5)C(=O)[C@@H]24)O3)o1 77456622 ADBUETMCDNZLBO-HEFCWWFNSA-N 412.421 1.716 0 50 HDAA O=S(=O)(c1ccccc1Cl)N1CCN(c2ccnc(N3CCOCC3)n2)CC1 82230370 MHZAGHQBAXXYTO-UHFFFAOYSA-N 423.926 1.478 0 50 HDAA CN1CCCC[C@@H]1C(=O)N1CCC2(CCC(=O)N(CCCn3ccnc3)C2)CC1 91907764 QDLYADVCJCTMQK-LJQANCHMSA-N 401.555 1.989 0 50 HDAA O=C(NCCCCNC(=O)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O 238997491 AJOOLUPABXIBLF-WFZXPWILSA-N 416.474 1.045 0 50 HDAA COc1ccc(CN2C(=O)N[C@H](CC(=O)NCCn3cccc3)C2=O)cc1OC 409414685 UCRUVVCCBLRZOV-OAHLLOKOSA-N 400.435 1.132 0 50 HDAA CS(=O)(=O)NCCC(=O)N1CC[C@@]2(CCCN(Cc3ccc(F)cc3)C2=O)C1 426490264 UXVFMLCDUJAJDG-IBGZPJMESA-N 411.499 1.106 0 50 HDAA O=C(Cn1nnnc1[C@@H](c1ccccc1)N1CCOCC1)NCCc1cccs1 426621552 DMJBZXNMISRJAV-LJQANCHMSA-N 412.519 1.515 0 50 HDAA COc1ccc(OC)c2c1CN(C[C@@H](O)c1ccc(S(C)(=O)=O)cc1)C[C@H]2O 917057161 QOAFPZMBXDVLST-IAGOWNOFSA-N 407.488 1.690 0 50 HDAA O=C(C1=NN2CCCN=C2N1)N1CCC(c2nccc(-c3cccc(F)c3)n2)CC1 952894645 SVCNUOMAKGNBSP-UHFFFAOYSA-N 407.453 1.967 0 50 HDAA Cc1cccc(CN2CC[C@@H](O)[C@]3(CCCN(C(=O)CNC(=O)C(C)C)C3)C2)c1 1857681665 BRAXBKLEJXCFOJ-NFBKMPQASA-N 401.551 1.943 0 50 HDAA CC(C)N(C)CCCc1cn(-c2ccc3c(c2)CN([C@@H]2CCC(=O)NC2=O)C3=O)nn1 1875355458 KUBDODHXNIRNBA-LJQANCHMSA-N 424.505 1.301 0 50 HDAA COc1cccc(N2C(=O)C[C@@H](N3CCC(C(N)=O)(N4CCCCC4)CC3)C2=O)c1 4177949 VTQWDUXFSVNYKY-GOSISDBHSA-N 414.506 1.133 0 50 HDAA O=C(COc1ccc(Cl)cc1S(=O)(=O)Nc1cccnc1)N1CCOCC1 6659090 ITBXKHWWCSPRCO-UHFFFAOYSA-N 411.867 1.773 0 50 HDAA COCCN1C(=O)N(CCCc2cccnc2)C(=O)C12CCN([C@H](C)CO)CC2 14750076 PKUQUYCOFODTGK-QGZVFWFLSA-N 404.511 1.140 0 50 HDAA COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NC(C2CC2)C2CC2)c(OC)c1 14971558 PIPRHUZBQKPHJG-SFHVURJKSA-N 401.507 1.699 0 50 HDAA COc1cc(C(C)=O)ccc1OCc1cc(C(=O)NCCCN2CCOCC2)no1 20453856 MOZMPCDFUMTLPR-UHFFFAOYSA-N 417.462 1.917 0 50 HDAA O=C1[C@H]2[C@@H](C(=O)N3CCc4ncccc4C3)[C@@H]3C=C[C@@]2(CN1CCc1ccncc1)O3 77378912 OKRJBCHVHJLPMS-JCUDRXCFSA-N 416.481 1.386 0 50 HDAA O=C(NCCN1CCOCC1)[C@@H]1CCCN(C2CCN(Cc3ccncc3)CC2)C1 82099705 LOCMCFNQGURIMS-OAQYLSRUSA-N 415.582 1.206 0 50 HDAA COc1ccc(S(N)(=O)=O)c(OC)c1C(=O)N1CC=C(c2ccc(O)cc2)CC1 476762456 IEXCYHXBXAENKJ-UHFFFAOYSA-N 418.471 1.986 0 50 HDAA COc1cc(CN2CCC(CNC(=O)CN3CCCC3=O)CC2)cc2c1OCO2 824550932 OOZXWEAPRSXZSI-UHFFFAOYSA-N 403.479 1.375 0 50 HDAA NC(=O)C1CCN(C(=O)c2ccccc2NC(=O)c2ccc3c(O)ncnc3c2)CC1 1464089713 AZFVEANISMNWDK-UHFFFAOYSA-N 419.441 1.925 0 50 HDAA O=C(Cc1cccnc1)N1C[C@H]2CN(c3nccc(C(F)(F)F)n3)C[C@@]2(CO)C1 1772812811 RCRWGGBFVMOZEQ-KBXCAEBGSA-N 407.396 1.390 0 50 HDAA O=C(NCCS(=O)(=O)NC1CCCCC1)N[C@H]1CCN(c2ccccc2F)C1 2325744084 BGZMZFPHIOAUAL-INIZCTEOSA-N 412.531 1.956 0 50 HDAA O=C(CNC(=O)NCCNC(=O)c1cccs1)N[C@H]1CCCc2ccccc21 2325826272 WJGVNKIGOYZCPP-INIZCTEOSA-N 400.504 1.971 0 50 HDAA O=C(N[C@@H]1COC2(C1)CN(C(=O)c1ccc(-c3cc[nH]n3)s1)C2)c1ccccn1 2325872440 XVUVBKDFLBTOHK-ZDUSSCGKSA-N 409.471 1.947 0 50 HDAA COc1ccccc1-n1cc(C(=O)N2CCC3(CC2)C[C@](C)(O)[C@@H](O)CO3)cn1 2356138937 SRYFXQSWHAUWKP-ICSRJNTNSA-N 401.463 1.388 0 50 HDAA COc1ccc(S(=O)(=O)N(CC(=O)N2CCOCC2)c2ccccc2OC)cc1 784288 ALSRSXMXPIZNIR-UHFFFAOYSA-N 420.487 1.758 0 50 HDAA COc1ccc(C(=O)N(C)Cc2n[nH]c(=O)[nH]2)cc1OC1CCN(C(C)C)CC1 19146302 UUMNTRJSSFZBOG-UHFFFAOYSA-N 403.483 1.630 0 50 HDAA O[C@H]1CCCN(C2CCN(c3nc4nonc4nc3N3CCCCCC3)CC2)C1 20782843 UDCKVLPAYGIQGM-INIZCTEOSA-N 401.515 1.819 0 50 HDAA Cc1cc(F)ccc1C(=O)N1CCC(Cn2cc(CN3CC[C@@H](N)C3)nn2)CC1 23429622 CVKNJKLVZMHDIK-GOSISDBHSA-N 400.502 1.811 0 50 HDAA CCCCOCC(=O)N1CCC(N2CCC[C@@H](C(=O)N3CCN(C)CC3)C2)CC1 71776380 BMHBVUKEYJDGDR-LJQANCHMSA-N 408.587 1.280 0 50 HDAA CC(C)(C)c1nc(CC(=O)NS(=O)(=O)c2[nH]cc3c2CCS3(=O)=O)cs1 225386798 KTYDSIAWGVJRNL-UHFFFAOYSA-N 417.534 1.146 0 50 HDAA C[C@H](NS(=O)(=O)c1ccccc1C(F)(F)F)C(=O)NCc1ncccc1O 225411160 NDCSZZYGKRAMKP-JTQLQIEISA-N 403.382 1.789 0 50 HDAA COc1ccc(C(=O)COC(=O)CCN2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@H]3C2=O)cc1 239203491 SLTUBUZMCCFPDR-KPARWEMLSA-N 409.438 1.864 0 50 HDAA C[C@@]12CC[C@@H]3[C@H](CC[C@@]4(O)C[C@H](O)CC[C@]34CO)[C@@]1(O)CC[C@H]2C1=CC(=O)OC1 253498027 ZNDMLUUNNNHNKC-PMFNKGHWSA-N 406.519 1.692 0 50 HDAA biogenic O=C(Cc1ccsc1)NC[C@@H]1CN(CC2CCN(CC3CC3)CC2)C(=O)CO1 299782072 UKZSMZXQCXHXSZ-LJQANCHMSA-N 405.564 1.756 0 50 HDAA C=CC(=O)Nc1cc(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)ccc1F 758276447 IRIQPWYTPFHWOF-UHFFFAOYSA-N 423.422 1.816 0 50 HDAA CON(C)S(=O)(=O)c1ccc(C(=O)Nc2cc([C@H]3CCCOC3)nn2C)cc1 791091016 WCAMVUOYXOMBOS-AWEZNQCLSA-N 408.480 1.748 0 50 HDAA CN1CCN(CCOc2ccccc2CN2C[C@H](Cc3cnccn3)[C@@H](O)C2)CC1 1615963422 MTGCGDVZGUTMHY-UNMCSNQZSA-N 411.550 1.138 0 50 HDAA O=C(Cc1ccc2c(c1)OCO2)N1C[C@H]2CN(Cc3ccns3)C[C@]2(CO)C1 1772806094 SZYNFJNVFBANAJ-FOIQADDNSA-N 401.488 1.367 0 50 HDAA Cn1cc(C(=O)N2CCC(N3C[C@@H](COc4ccc(F)cc4)OCC3=O)CC2)cn1 1857675707 CWIXGTJHCRLTJU-IBGZPJMESA-N 416.453 1.470 0 50 HDAA CNC(=O)CCCn1cc(-n2ccnc2-c2cnc(NC[C@H]3CCCO3)nc2)cn1 1857688156 VYPZJPQYKSQPKV-QGZVFWFLSA-N 410.482 1.643 0 50 HDAA O=C(CCO)N1CCC2(CC1)OCCc1cc(C(=O)N3CCC[C@@H](O)C3)sc12 1857689686 VIZVUWHIRUMBKE-OAHLLOKOSA-N 408.520 1.118 0 50 HDAA Cc1cnc(C(=O)N2CCC3(CCc4c(O)nc(N5CCOCC5)nc43)CC2)cn1 1857710020 DLHJTSWLOQSXJI-UHFFFAOYSA-N 410.478 1.237 0 50 HDAA O=C1CCCN1CCC(=O)N1CCO[C@@H](CN2CCC(O)CC2)[C@@H]1c1ccccc1 1857715483 UGJUQGFIEBUQNO-REWPJTCUSA-N 415.534 1.424 0 50 HDAA COC(=O)c1cncc(C(=O)N2CC[C@@]34O[C@H](c5ccccc5)CN3C(=O)C[C@@H]24)c1 1857726715 CYOJZYRLGJEFSE-SVMVAKDDSA-N 407.426 1.783 0 50 HDAA COc1ccc([C@H]2[C@@H](C(=O)NCc3cccnc3)C[C@H]3CN(C(C)=O)CC(=O)N32)cc1 1857729645 FXVNUVFPZJMVMG-VCOUNFBDSA-N 422.485 1.527 0 50 HDAA Oc1cccc2c1CCC[C@@H]2NC[C@H](O)[C@H](O)[C@H](O)c1cnn(-c2ccccc2)n1 1875262843 SXTMVNHZAXLGRA-MVWVFHAYSA-N 410.474 1.395 0 50 HDAA O=C([C@@H](O)CN[C@@H]1CCOC1)N1CCN(C2c3ccccc3-c3ccccc32)CC1 1875308452 GVPUMDVQXABSOK-VGSWGCGISA-N 407.514 1.640 0 50 HDAA O=C(c1cccc2c1OCC2)N1CCCC[C@@H](NC(=O)C2(C(=O)NC3CC3)CC2)C1 1875345121 SHEAMISIZDPQMY-QGZVFWFLSA-N 411.502 1.791 0 50 HDAA CO[C@H]1CN(C(=O)c2cccc(-n3cc(C(C)(C)N(C)C)nn3)c2)[C@@](C)(C(=O)O)C1 1875354271 SNAANOKNJZHASR-IIBYNOLFSA-N 415.494 1.768 0 50 HDAA O=C1CC[C@@H](N2Cc3cc(-n4cc(CCCCCCO)nn4)ccc3C2=O)C(=O)N1 1875357037 YPSHFPJTXRERBS-GOSISDBHSA-N 411.462 1.124 0 50 HDAA O=C(C[C@@H]1CCNC1=O)N[C@@H]1CCC[C@@H]1NC(=O)c1snc(Cl)c1Cl 2325860704 QDPJQMFLAOVKPI-YIZRAAEISA-N 405.307 1.743 0 50 HDAA O=C1COc2ncc(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)[C@@H]3CC[C@H]3CF)C4)cc2N1 2325872783 MYXACRXSHRJJOM-HVQZGBDUSA-N 416.453 1.660 0 50 HDAA Cn1ccc(=O)c(OCc2ccccc2)c1C(=O)N1CCC(O)(Cn2ccnc2)CC1 2356165952 LQZXBQNSVAGHGL-UHFFFAOYSA-N 422.485 1.828 0 50 HDAA COc1cc(NS(=O)(=O)c2ccc(NC(=S)NC(C)=O)cc2)nc(OC)n1 2136168 VLSDMFNHTNCCOB-UHFFFAOYSA-N 411.465 1.128 0 50 HDAA Cn1c(=O)c2c(nc3n(CCCO)c(C45CC6CC(CC(C6)C4)C5)cn23)n(C)c1=O 4168942 NKTNYPFQVJFMGB-UHFFFAOYSA-N 411.506 1.537 0 50 HDAA Cc1ncc2c(c1CNS(=O)(=O)N(C)C)CCN(C(=O)c1c(F)cccc1F)C2 11881869 HODJBSFTCYATMS-UHFFFAOYSA-N 424.473 1.763 0 50 HDAA Cc1ccc(C(=O)NCCCN2CCC(C)CC2)cc1S(=O)(=O)N1CCOCC1 13669229 VSGUASOXIQPZCB-UHFFFAOYSA-N 423.579 1.868 0 50 HDAA CN1[C@H]2CC[C@H]1CN(C(=O)C(=O)NC[C@@H](c1ccc(F)cc1)N1CCOCC1)CC2 241326070 LZAVMJJOVUWPKG-UFYCRDLUSA-N 418.513 1.010 0 50 HDAA CC[C@H](C)N1C(=O)[C@@H]2[C@H]([C@H](C)O)N[C@@]3(C(=O)Nc4c(Cl)cc(C)cc43)[C@@H]2C1=O 245255900 MHUDSBSAPUUZHC-LQQXZLLBSA-N 405.882 1.548 0 50 HDAA COC(=O)[C@]12[C@@H]3[C@H]4[C@H]5[C@H]1C[C@@]1(CCC(=O)O1)[C@H]5[C@@]2(C(=O)OC)[C@H]4C[C@@]31CCC(=O)O1 247849847 QWXPUVQBRLVSEZ-ZZZHKXJHSA-N 416.426 1.002 0 50 HDAA Cc1cc(C)n(C[C@@H]2CCCO2)c(=O)c1C(=O)NCCn1c(CO)nc2ccccc21 253412806 SCLOESUBRZCVSG-KRWDZBQOSA-N 424.501 1.916 0 50 HDAA Cn1c(CCCO)nc2cc(NC(=O)C[C@H]3NC(=O)c4ccccc4NC3=O)ccc21 409414183 ONCVABYWHSFEEB-QGZVFWFLSA-N 421.457 1.578 0 50 HDAA biogenic Cc1cccc(SC2CCN(C(=O)c3cc4n(n3)C[C@H](O)CNC4=O)CC2)c1 426705897 UZTPIRHJLFRMBM-CQSZACIVSA-N 400.504 1.693 0 50 HDAA O=C(CN1CCC[C@]2(C1)NC(=O)NC2=O)NCc1ccccc1OC1CCCC1 434795028 PPACJCCQVKRPJN-OAQYLSRUSA-N 400.479 1.298 0 50 HDAA CNc1cc(N2CCC[C@H]2CNc2ccc(S(=O)(=O)NCC3CC3)cn2)ncn1 462826942 UNRSNNWVZJYJJY-HNNXBMFYSA-N 417.539 1.683 0 50 HDAA COCc1nnc(N2C[C@H](C(=O)N3CCC(c4ccncn4)CC3)CC2=O)s1 1857720206 JNDXLEUCOQTOIO-CYBMUJFWSA-N 402.480 1.234 0 50 HDAA O=C(c1n[nH]c2c1CCCC2)N1CC[C@H]2CCN(C(=O)Cc3cncc(O)c3)[C@H]2C1 1875322084 HVFBBEIUZCWXIK-KXBFYZLASA-N 409.490 1.695 0 50 HDAA C[C@H]1C[C@H](C)CN(CCNC(=O)COCC(=O)NCCN2C[C@@H](C)C[C@@H](C)C2)C1 2325721774 YYYIHYFPRJSGKB-LWYYNNOASA-N 410.603 1.191 0 50 HDAA COc1ccc(NC(=O)NCc2ccc3c(c2)C(=O)N([C@H]2CCC(=O)NC2=O)C3)cc1 2325886778 IVNMOCCRRCWEJE-SFHVURJKSA-N 422.441 1.778 0 50 HDAA Cc1cc(NC(=O)[C@H]2CCc3nn(C)c(=O)n3C2)n(Cc2ccc(Cl)cc2)n1 2356163668 MTTXZDHVKCOTDM-AWEZNQCLSA-N 400.870 1.990 0 50 HDAA Cn1c(=O)[nH]c(=O)c2c1nc(N1CCN(c3ccccc3)CC1)n2Cc1ccccc1 892900 RFMYXQVSUYGWQF-UHFFFAOYSA-N 416.485 1.798 0 50 HDAA COc1ccc(N(CC(=O)Nc2ccc(C(N)=O)cc2)S(C)(=O)=O)cc1Cl 1170304 BKCBXIGNEBBHTD-UHFFFAOYSA-N 411.867 1.852 0 50 HDAA CCOc1ccc(N2C[C@@H](C)Cn3c2nc2c3c(=O)n(CCCO)c(=O)n2C)cc1 2346162 UGGBRNMNDUBGSB-CQSZACIVSA-N 413.478 1.466 0 50 HDAA COC(=O)C1=C(C)N=c2s/c(=C/c3c(C)nn(C)c3C)c(=O)n2[C@H]1c1ccccc1 2797500 UWXJPWLVYNOZNB-OXRZLYTFSA-N 422.510 1.759 0 50 HDAA Cc1ccc(N2C(=O)C[C@@H](NCc3ccc(S(N)(=O)=O)cc3)C2=O)cc1Cl 4682436 XAJPBZPBFNLVTK-MRXNPFEDSA-N 407.879 1.718 0 50 HDAA CCCS(=O)(=O)c1ncc(CN(C)CCc2cnn(C)c2)n1C[C@H]1CCCO1 15066311 IBXZRAROKPNZRY-GOSISDBHSA-N 409.556 1.654 0 50 HDAA Cc1cc(C)n(CCCNC(=O)[C@@H]2CCC(=O)N(CCCN3CCCC3=O)C2)n1 15074612 RIOSSZRUTZJSEL-GOSISDBHSA-N 403.527 1.257 0 50 HDAA CNC(=O)[C@@H]1C[C@@H](NCc2ccc(C(=O)OC)cc2)CN1C1Cc2ccccc2C1 19745029 MTJDLCFYAXJUHN-IRLDBZIGSA-N 407.514 1.919 0 50 HDAA CN1CCN(CCNC(=O)[C@@H]2CCC(=O)N(CCc3ccc(Cl)cc3)C2)CC1 19792253 DQRHKKOCOYIJOR-GOSISDBHSA-N 406.958 1.485 0 50 HDAA CC(C)=CCN1CCNC(=O)[C@H]1CC(=O)NCCn1nc(-c2ccccc2)ccc1=O 20205481 XBQOVIDPGKDFMJ-HXUWFJFHSA-N 423.517 1.183 0 50 HDAA O=C(NCc1nnn[nH]1)[C@H]1CCCN(C2CCN(c3nc4ccccc4o3)CC2)C1 71747041 JVPQGTYZTBHUIL-AWEZNQCLSA-N 410.482 1.338 0 50 HDAA CC(C)OCC(=O)N1CCC(N2CCC[C@@H](C(=O)NCc3ccccn3)C2)CC1 82109469 QONMANOPVNMKIM-GOSISDBHSA-N 402.539 1.826 0 50 HDAA CN1CCN([C@H]2CCN(C(=O)c3ccc(N(C)C)cc3)C[C@H]2CCC(=O)O)CC1 95373297 BVBCXMKJNGJUPR-QUCCMNQESA-N 402.539 1.696 0 50 HDAA CS(=O)(=O)N(CCNC(=O)OCC1c2ccccc2-c2ccccc21)CC(=O)O 96372401 NWSKDGKSEBRUPA-UHFFFAOYSA-N 418.471 1.871 0 50 HDAA in-vitro O=C(O)CCC(=O)Nc1ccc2[nH]cc([C@@H](C(=O)O)N3CCC[C@@H](C(=O)O)C3)c2c1 227177105 BDYRHOSXXUCBQZ-ZMZPIMSZSA-N 417.418 1.894 0 50 HDAA CN(C)c1cc(NC[C@H]2CN(CC3CCN(CC4CC4)CC3)C(=O)CO2)ncn1 299790944 CFEXDJWFCVCREZ-SFHVURJKSA-N 402.543 1.304 0 50 HDAA CNS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccc3c(c2)CN(C)C(=O)N3)cc1 479534899 FVPPISAQADZZHH-UHFFFAOYSA-N 410.477 1.373 0 50 HDAA N[C@H]1CC[C@@H](CCNC(=O)N2CCC(c3nccc(N4CCOCC4)n3)CC2)C1 952894447 QYRXMPAITUVMDM-WMZOPIPTSA-N 402.543 1.720 0 50 HDAA O=C(O)Cc1cs/c(=N/C(=O)CS(=O)(=O)Cc2ccc3ccccc3c2)n1O 1501056570 QNCNQHCDQMPPGD-VHEBQXMUSA-N 420.468 1.610 0 50 HDAA Cc1ccc(NC2(C(=O)NC[C@H]3CN(S(C)(=O)=O)CCO3)CCCCC2)cc1 1506402630 ZIYIGGQGPVDFBN-SFHVURJKSA-N 409.552 1.886 0 50 HDAA CN(C)S(=O)(=O)N1CCCOc2cccc(c2)CC[C@H]2CCCCN2C(=O)C1 1857702727 AXZLNJYEALSICR-GOSISDBHSA-N 409.552 1.891 0 50 HDAA COc1ccc([C@H]2NC(=O)CO[C@@H]2C(=O)NCC2(Cn3cccn3)CC2)cc1OC 2100539372 FQJLXLSHBBAJIJ-MOPGFXCFSA-N 414.462 1.053 0 50 HDAA O=C(NC1CCN(Cc2nc3ccccc3[nH]2)CC1)C12CCN(CC1)S(=O)(=O)C2 2325829027 YOJLCSXDESBWAX-UHFFFAOYSA-N 417.535 1.069 0 50 HDAA Cc1ccn(C(C)(C)C(=O)Nc2ccc3c(c2)C(=O)N([C@@H]2CCC(=O)NC2=O)C3)n1 2325895682 GQBBPXCQJNHTTQ-MRXNPFEDSA-N 409.446 1.326 0 50 HDAA CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2C(=O)N2CCOCC2)cc1 811780 HTLHELSOQKLBET-UHFFFAOYSA-N 403.460 1.918 0 50 HDAA CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccccc3F)CC2)cc1 899995 OOAIMARIRZHJJP-UHFFFAOYSA-N 405.451 1.931 0 50 HDAA CC1(C)Cc2nc3sc4c(=O)n(CC(=O)N5CCOCC5)cnc4c3cc2CO1 4413426 ONARQQVXLCIMMS-UHFFFAOYSA-N 414.487 1.716 0 50 HDAA CC(=O)OC(OC(C)=O)[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3ccc(C(C)=O)cc3)C(=O)[C@H]12 4818664 MEVYGRCLEKIXBW-JJDSTIRJSA-N 413.382 1.155 0 50 HDAA CC(=O)NC(=O)CSc1nnc(NC(=O)CSc2nc3ccccc3[nH]2)s1 9290322 ARQAQKZJNOGMFY-UHFFFAOYSA-N 422.517 1.900 0 50 HDAA CCN(CCn1cccn1)Cc1cccc(OC[C@H](O)CN2CCC(O)CC2)c1 11813799 CRGQTWBWYHQYAU-OAQYLSRUSA-N 402.539 1.602 0 50 HDAA CC1=C(C(=O)N2CCOc3ccc(CN4CCC[C@@H](CO)C4)cc3C2)OCCO1 12019984 INXYNSIYXUQDKO-GOSISDBHSA-N 402.491 1.890 0 50 HDAA CCOc1cc(CN(C)CCn2cc(C(=O)N3CCSCC3)nn2)ccc1O 12037408 AAEQYJHSPBXPLD-UHFFFAOYSA-N 405.524 1.703 0 50 HDAA Cc1nn(C)cc1CNC(=O)c1ccccc1OC1CCN(S(C)(=O)=O)CC1 12092902 XDPJWINOQQUOTJ-UHFFFAOYSA-N 406.508 1.461 0 50 HDAA COc1cccc(C(=O)NCCn2cc(C(=O)NCc3ccccc3)nn2)c1OC 12148850 CAVFPICIHFQXCP-UHFFFAOYSA-N 409.446 1.655 0 50 HDAA O=C([C@H]1CCCO1)N1CCN(c2cccc3c2C(=O)N(Cc2cccnc2)C3=O)CC1 12243099 NOEYOOCIOCZKIM-LJQANCHMSA-N 420.469 1.705 0 50 HDAA CCCCNC(=O)[C@@H]1C[C@H](CN2CCN(C)CC2)CN(Cc2ccc(O)cc2)C1 23352344 FTXAGUPUAPHKOL-NHCUHLMSSA-N 402.583 1.994 0 50 HDAA COCC1CCN(Cc2cccc(OC)c2OC[C@@H](O)CN2CCOCC2)CC1 39405474 VGPRNHXVXZDKGH-FQEVSTJZSA-N 408.539 1.626 0 50 HDAA COc1ccccc1/C=C/CN1CCNC(=O)[C@H]1CC(=O)N(C)Cc1cc(C)[nH]n1 55198361 AONOKKDVSVGDBE-ZLQZBKBYSA-N 411.506 1.589 0 50 HDAA COc1ccc(CC(=O)N2CCN(c3cc(N4CCOCC4)nc(C)n3)CC2)cc1 65364676 UDNFLHKPQTZDFN-UHFFFAOYSA-N 411.506 1.522 0 50 HDAA Cc1[nH]nc(O)c1CC(=O)N1CC[C@@H]2[C@@H](CCC(=O)N2CCCn2ccnc2)C1 72433793 WEQUTIPQMRQEFQ-DOTOQJQBSA-N 400.483 1.093 0 50 HDAA CCc1nc(-c2c3n(c(=O)n(CC(=O)Nc4ccccc4)c2=O)CCCCC3)no1 169764813 JOBRNLCABWUWTE-UHFFFAOYSA-N 409.446 1.988 0 50 HDAA COC(=O)C1(NC(=O)[C@H]2CC(=O)N(c3cc(OC)ccc3OC)C2)CCSCC1 170591031 ZFJRDBMBCLYYFE-ZDUSSCGKSA-N 422.503 1.612 0 50 HDAA COC(=O)c1nc(NC(=O)C[C@H]2N=C(O)N(Cc3ccccc3)C2=O)sc1C 252571318 XTKAAZHUFJPLQV-GFCCVEGCSA-N 402.432 1.892 0 50 HDAA CNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)C[C@@H]1NC(=O)N(c2ccccc2)C1=O 253394826 AGNWXZLZMPQYKE-ROUUACIJSA-N 406.442 1.201 0 50 HDAA biogenic C=CC(=O)N(CC)CC(=O)N1CCN(S(=O)(=O)c2c(C)c(C)cc(C)c2C)CC1 1463940109 RFVPBTOLNOFSJN-UHFFFAOYSA-N 421.563 1.788 0 50 HDAA COC[C@H]1CCCN(S(=O)(=O)N2CCC3(CC2)Nc2ccccc2NC3=O)C1 1506423435 WGWXWNNHNNEEGV-HNNXBMFYSA-N 408.524 1.488 0 50 HDAA COc1cc(-c2onc(N(C)C)c2C(=O)NCCN(C)S(C)(=O)=O)ccc1F 1704325701 LTFXFLJRZKLIQC-UHFFFAOYSA-N 414.459 1.177 0 50 HDAA O=C(N[C@@H]1COC[C@H]1Cc1ccnc2ccccc12)c1cnc(N2CCOCC2)nc1 1704351518 ZDSPKZYBEDXMGJ-DYESRHJHSA-N 419.485 1.849 0 50 HDAA CCN1CC[C@@H]2C[C@@H](N3CCOCC3)CC[C@@]2(C(=O)NCCCc2cnn(C)c2)C1 1857692045 MCXMAXNKDKPSNH-FUPPJEDESA-N 417.598 1.682 0 50 HDAA Cn1cnc2cc(C(=O)N3CCN4[C@@H](c5ccccc5)COC[C@H]4C3)ccc2c1=O 1857722221 RSPPPUIEIJHILL-WIYYLYMNSA-N 404.470 1.831 0 50 HDAA COC(=O)[C@@H]1C[C@H]1C(=O)N[C@H]1CC[C@@H](N(C)C(=O)C[C@@H]2CSCCS2)CC1 1875356590 ROADRSYOBYXJNS-YIDVYQOGSA-N 414.593 1.920 0 50 HDAA C[C@H]1C[C@@H](C)CN(CCNC(=O)COCC(=O)NCCN2C[C@H](C)C[C@@H](C)C2)C1 2325721776 YYYIHYFPRJSGKB-WTGUMLROSA-N 410.603 1.191 0 50 HDAA O=C(NCc1nc(C(F)(F)F)n[nH]1)c1cc2c(s1)CCOC21CCNCC1 2356155748 LRFUMNZELFVAGG-UHFFFAOYSA-N 401.414 1.966 0 50 HDAA COc1cccc(CN2CCNC(=O)[C@@H]2CC(=O)N2CCC(OC)CC2)c1OC 12315153 PNUDQCDCTOJSEE-KRWDZBQOSA-N 405.495 1.032 0 50 HDAA CCCN1CCC(NC(=O)C[C@@H]2C(=O)NCCN2Cc2cccc(OC)c2)CC1 12587838 GVESYUSVBFSITR-HXUWFJFHSA-N 402.539 1.376 0 50 HDAA COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(C)CC3)CC2)cc1Cl 19589707 UTWILEUCGMHGEU-UHFFFAOYSA-N 415.943 1.523 0 50 HDAA CCCN1C(=O)/C(=C/C=C2/Oc3ccccc3N2CCC(=O)O)N(CCO)C1=S 29748131 MLOUQZCXEHRJSD-CZLYJICFSA-N 417.487 1.917 0 50 HDAA O=C(NCC(=O)N1CCN(c2cc(N3CCCCC3)ncn2)CC1)c1ccccc1 38528513 LMFZOPARUKCLRM-UHFFFAOYSA-N 408.506 1.546 0 50 HDAA CCC(CC)CN1C[C@]23C=C[C@H](O2)[C@@H](C(=O)N2CC(Oc4cccnc4)C2)[C@H]3C1=O 77439895 FWSMPZAHOMPPEE-SRYPRDQNSA-N 411.502 1.889 0 50 HDAA CCc1nc(-c2c3n(c(=O)n(CC(=O)NCCc4ccccc4)c2=O)CCCC3)no1 169763930 IVHHJTDDAKJWLD-UHFFFAOYSA-N 423.473 1.318 0 50 HDAA CNC(=O)[C@@H](C)CN(C)c1nc(N(C)C[C@@H](C)C(=O)NC)c2cc(Cl)ccc2n1 222284035 HGEQYTVEDWVAJC-OLZOCXBDSA-N 420.945 1.920 0 50 HDAA Cc1ccc(C(=O)NC2CC2)cc1NS(=O)(=O)c1cccc(-c2nnnn2C)c1 460438874 VWORWJIAFWCYBQ-UHFFFAOYSA-N 412.475 1.879 0 50 HDAA Cc1ccc(S(=O)(=O)NCCCNc2ncc(F)c(N3CCOCC3)n2)cc1 1529126661 LSVXRKTURBROKX-UHFFFAOYSA-N 409.487 1.541 0 50 HDAA COc1cccc(CN2CCN(c3ccc(C(=O)N4CCOCC4)cn3)CC2=O)c1 1529152992 OJGHRMDGSKYZCP-UHFFFAOYSA-N 410.474 1.411 0 50 HDAA COc1ccc(N2CCN(Cc3nc(=N)[nH]c(=Nc4cccc(C)c4)[nH]3)CC2)cn1 1857678723 PVWZARCRUDZEPI-UHFFFAOYSA-N 406.494 1.484 0 50 HDAA CO[C@@H]1CC[C@H](C(=O)NCCCn2nc(C)nc2C)C[C@H]1NC(=O)c1ccc[nH]1 1857691806 DRTKUJDOHWUWGG-CGTJXYLNSA-N 402.499 1.343 0 50 HDAA Cc1ccc(NC(=O)COc2ccc(-n3cnnn3)cc2)c(OCC(=O)N(C)C)c1 1875351758 HOFCNBDOKYZOCW-UHFFFAOYSA-N 410.434 1.455 0 50 HDAA C[C@]1(CNC(=O)c2cc3ncccn3n2)CCCN(C(=O)[C@H]2CCc3nn[nH]c3C2)C1 1875361504 UAJOVWQHUIKPQM-LHSJRXKWSA-N 422.493 1.011 0 50 HDAA Cc1cc(C)c(S(=O)(=O)N2CCN(C(=O)[C@@H](C)Cn3cncn3)CC2)c(C)c1 4988394 WDGGNPLCUXOREK-KRWDZBQOSA-N 405.524 1.373 0 50 HDAA CC(C)[C@@H](NC(=O)c1ccccn1)c1nnc2n1CCN(C(=O)[C@@H]1CCOC1)CC2 12020023 UTKWJCKOENPOFY-CRAIPNDOSA-N 412.494 1.221 0 50 HDAA CN(C)S(=O)(=O)c1ccc(OCC(=O)N2CCN(c3ccccc3)CC2)cc1 16651201 LRCLKEYABJRFMK-UHFFFAOYSA-N 403.504 1.665 0 50 HDAA Cc1ccc(C)c(S(=O)(=O)NCCNc2cc(N3CCOCC3)nc(C)n2)c1 65362966 WHMUCNPBVLIMKV-UHFFFAOYSA-N 405.524 1.629 0 50 HDAA COc1c(C)cccc1C(=O)N1CCC(c2nnc(CN(C)CCO)n2C)CC1 96165409 WIYOXKJPLJVMDY-UHFFFAOYSA-N 401.511 1.576 0 50 HDAA COc1ccc(NC(=O)NC(C)(C)CCN2CCN(C)CC2)cc1-n1nnnc1C 170598138 DNNDWZPDUMPJFH-UHFFFAOYSA-N 416.530 1.517 0 50 HDAA CC[C@@H](C(=O)OC)N(C)C(=O)CCN1C(=O)c2ccc(Br)cc2C1=O 170602498 HUMBIBNYRNYCNA-ZDUSSCGKSA-N 411.252 1.845 0 50 HDAA Cc1ccc([C@@H]2c3sc(=O)[nH]c3S[C@@H](C(=O)O)[C@]2(CC(=O)O)C(=O)O)cc1 245285362 WRUHORRQWZLJMU-YOIRWDDOSA-N 409.441 1.981 0 50 HDAA COC(=O)c1cnc(O)c([C@H](CC(N)=O)c2cccc(Oc3ncccn3)c2)c1O 253623816 NNGQISJNZPZUPV-CYBMUJFWSA-N 410.386 1.869 0 50 HDAA CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1cnc(O)s1 328595842 GIFVUICGPJQZOP-UHFFFAOYSA-N 417.534 1.631 0 50 HDAA COc1ccc(CN2CCOC3(CCN(Cc4cnc[nH]4)CC3)C2)cc1C(=O)O 824703949 CLICTQDVPKNFBQ-UHFFFAOYSA-N 400.479 1.984 0 50 HDAA COc1ccc([C@@H]2[C@H](C(=O)NCCO)C[C@@H]3CN(C4CCCC4)CC(=O)N23)cc1 1857687861 IPCASUYNURDHSU-YFVAEKQCSA-N 401.507 1.320 0 50 HDAA CCN1CC[C@@H]2C[C@@H](N3CCOCC3)CC[C@@]2(C(=O)NCc2n[nH]c3c2CCC3)C1 1857691015 XTUKRYDMSOTMPZ-IEGUWTFLSA-N 415.582 1.728 0 50 HDAA Cc1ccn([C@@H](C)C(=O)N2CCC[C@@H]2Cn2cc(-c3cnc(C(=O)O)nc3)nn2)n1 1875355105 AIPTWAKQGKNXIP-DZGCQCFKSA-N 410.438 1.190 0 50 HDAA Cc1nc(O)ccc1S(=O)(=O)NC(=O)[C@H]1CC(=O)N([C@H](C)c2ccccc2)C1 2325819796 QEMIOUCPLCLWOQ-HIFRSBDPSA-N 403.460 1.510 0 50 HDAA CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccc(F)c3)CC2)cc1 900010 JSCVKXOFLWNKAK-UHFFFAOYSA-N 405.451 1.931 0 50 HDAA COc1ccc(OC)c(Nc2nc(N)nc(CN3CCN(c4ccccn4)CC3)n2)c1 3765392 ZIZBTCVPHCTWCA-UHFFFAOYSA-N 422.493 1.932 0 50 HDAA Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)[C@H]3CC=CC[C@H]3C(=O)O)CC2)c1 6741135 CULVBXDNGNCMOW-DLBZAZTESA-N 406.504 1.803 0 50 HDAA CCn1cc(C(=O)N2CCC[C@@H](CNS(=O)(=O)c3ccc(OC)cc3)C2)cn1 11840459 FXVABRRITXZPTI-HNNXBMFYSA-N 406.508 1.742 0 50 HDAA Cc1ccc(CN2CCNC(=O)[C@H]2CC(=O)N2CCN(C3CCCC3)C(=O)C2)cc1 12385400 FEVSAMZOHAIGFC-HXUWFJFHSA-N 412.534 1.299 0 50 HDAA CS(=O)(=O)c1ncc(CN2CCN(c3ccccn3)CC2)n1C[C@@H]1CCCO1 12445832 SEEPMVIFKCDXQP-KRWDZBQOSA-N 405.524 1.183 0 50 HDAA O=C1CC[C@H](C(=O)N2CCN(c3cnccn3)CC2)CN1CCc1cccc(F)c1 12475564 TXESULQSQHPRAK-SFHVURJKSA-N 411.481 1.746 0 50 HDAA CC(C)CC(=O)C(=O)N1CCC(N2CCC(C(=O)NC[C@H]3CCCO3)CC2)CC1 14968795 LEONRDVYPGZXRS-LJQANCHMSA-N 407.555 1.600 0 50 HDAA Cc1c(Br)c(C(F)(F)F)nn1CC(=O)N[C@H](C)CN1CCOCC1 20028525 RPYHOQQPGICTKF-SECBINFHSA-N 413.238 1.810 0 50 HDAA Cc1ccccc1OCC(=O)NCCNC(=O)c1nc(-c2ccc3c(c2)OCO3)no1 20418988 KIICFWVCQGWNEQ-UHFFFAOYSA-N 424.413 1.699 0 50 HDAA CCOC(=O)c1cnn(-c2nc3ccccc3s2)c1CN1CCN(CCO)CC1 23362340 XVIAFCOJTZFTQO-UHFFFAOYSA-N 415.519 1.769 0 50 HDAA Cn1cnnc1SCC(=O)N1CCC[C@@H](N2CCN(c3ccccc3)CC2)C1 55132013 JIIGIJJTBLBPMO-GOSISDBHSA-N 400.552 1.720 0 50 HDAA COCC(=O)N1CCc2[nH]cnc2C12CCN(CC1CCN(C(C)C)CC1)CC2 95520582 FGGBJPQPIRBZKA-UHFFFAOYSA-N 403.571 1.852 0 50 HDAA C[C@H](CCN(C)S(=O)(=O)c1ccc(NS(=O)(=O)N(C)C)cc1)N1CCCC1 952981514 XKIXLXFGOXQURS-OAHLLOKOSA-N 418.585 1.400 0 50 HDAA COc1ccc([C@@H]2[C@@H](CO)OCCN2C(=O)c2cnn3ccn(C)c23)cc1OC 1529095127 MIJITSUPJYIWNX-QZTJIDSGSA-N 400.435 1.265 0 50 HDAA O=C1N[C@@H]2COC[C@H]1CN(Cc1ccccc1CS(=O)(=O)c1ccccc1)C2 1875242746 ZKWDUKJCUCQOGI-MOPGFXCFSA-N 400.500 1.607 0 50 HDAA COCCNC(=O)CN1CCN(C(=O)NCC2(c3c(F)cccc3F)CC2)CC1 1875255226 FDFMDJKWZWJPHJ-UHFFFAOYSA-N 410.465 1.086 0 50 HDAA O=C([C@@H]1CCOC1)N1CCC(Cc2cn(CCc3ccccc3)nn2)(C(=O)O)CC1 1875327183 TUXAKDJJSKIYML-GOSISDBHSA-N 412.490 1.793 0 50 HDAA C=CC(=O)NCCC(=O)NC[C@@H]1CCCCN1C(=O)[C@@H]1COc2ccccc2O1 1875385765 BAZXTUCWAIBYCD-YJBOKZPZSA-N 401.463 1.016 0 50 HDAA Cc1cc(OCC(=O)N(C)[C@@H]2CCCC[C@H]2N(C)C(=O)COc2cc(C)on2)no1 2325724264 UYUCTVBNXUMNLU-HZPDHXFCSA-N 420.466 1.965 0 50 HDAA CC1(C)C(=O)Nc2ccc(C(=O)N3C[C@@H]4C[C@H]3CN4C(=O)[C@@H]3C[C@H]4C=C[C@@H]3O4)cc21 2325873042 WTGPWEZZXNZWGQ-DBDOFBCQSA-N 407.470 1.685 0 50 HDAA O=C1CC[C@@H](N2Cc3cc(C(=O)NCc4ccc(C(=O)O)cc4)ccc3C2=O)C(=O)N1 2325895700 GWCJKWZAEBNHBK-QGZVFWFLSA-N 421.409 1.076 0 50 HDAA Cc1nn(CC(=O)N2CCC[C@]3(CCc4c[nH]c(=N)nc43)C2)c(=O)c2ccccc12 2356160030 ZSFALJPQJVGFFG-QFIPXVFZSA-N 404.474 1.414 0 50 HDAA COc1ccc(CCNC(=O)CN2C(=O)c3ccccc3S2(=O)=O)cc1OC 645944 RFXFKRUQDNMIMN-UHFFFAOYSA-N 404.444 1.207 0 50 HDAA CCOC(=O)[C@]1(CCOc2ccccc2)CCCN(C(=O)CCn2cnnn2)C1 11878623 YQDAIPWBHPSHSL-FQEVSTJZSA-N 401.467 1.704 0 50 HDAA COc1ccc(CCN2C(=O)[C@@H](CC(=O)NCc3cccn3C)N=C2O)cc1OC 252538113 MSFMYWXZBMTZPK-MRXNPFEDSA-N 414.462 1.416 0 50 HDAA C[C@H](OC[C@@H]1CCCCO1)C(=O)N1CCc2nc(NS(C)(=O)=O)sc2C1 328592203 MIPJVWGRWNQLKN-RYUDHWBXSA-N 403.526 1.374 0 50 HDAA COc1cccc(-c2noc(CCCC(=O)N3CCN(Cc4nc[nH]n4)CC3)n2)c1 426538378 ODUIZZZRXGSVBI-UHFFFAOYSA-N 411.466 1.530 0 50 HDAA O=C(c1ccc(-n2cnnn2)cc1)N1C[C@H](Cc2ccnc3ccccc23)[C@@H](O)C1 1615955752 XPMPNKRVRGJHLS-UWJYYQICSA-N 400.442 1.886 0 50 HDAA CC(C)CC(=O)N1CCCN(Cc2nccn2C)CCCCNC(=O)[C@@H]2C[C@H]1CN2 1704316562 VBFJJSPQRDUAAF-OALUTQOASA-N 418.586 1.127 0 50 HDAA COc1ccccc1C(=O)N1C[C@@H]2CN(S(=O)(=O)c3ccccc3)C[C@]2(CO)C1 1772812847 RPMWWWWQWVDBTO-IERDGZPVSA-N 416.499 1.450 0 50 HDAA CN(Cc1nc(O)c2sccc2n1)C[C@]1(O)CCCN(C(=O)c2ccc[nH]2)C1 1857721090 YQHZNVUXAJXIAX-LJQANCHMSA-N 401.492 1.824 0 50 HDAA Cc1cccn2c(CC(=O)OCC(=O)Nc3cc(-n4cnnn4)ccc3F)cnc12 1875340738 PGXNBQNKSCRAEA-UHFFFAOYSA-N 409.381 1.482 0 50 HDAA CCN(C[C@@H](O)c1ccc(C)cc1)C(=O)[C@@H]1CC[C@H](Cn2cnc3c(N)ncnc32)O1 1875361372 XYXDIIFFEOAQNX-KURKYZTESA-N 424.505 1.847 0 50 HDAA Cc1nc(CNC(=O)C(=O)Nc2ccc3c(c2)S(=O)(=O)CC3)c2n1CCCC2 2325722923 VKPOTAKEWGMUKP-UHFFFAOYSA-N 402.476 1.113 0 50 HDAA C[C@H](CC(=O)N=[S@@]1(=O)CCCN(C(=O)c2cc(=O)n(C)cn2)CC1)C(F)(F)F 2332238770 KPMACRLSPJZINP-GFRLJBLXSA-N 422.429 1.209 0 50 HDAA Cn1cncc1C(=O)NC[C@@H]1[C@@H](c2ccccc2)[C@]12CN(c1ncccn1)C[C@H]2O 2356168399 BJMOGNFNBGAZIA-WGQQHEPDSA-N 404.474 1.221 0 50 HDAA Cn1c(=O)[nH]c(=O)c2c1nc(NCc1ccccc1)n2C[C@@H](O)COc1ccccc1 632464 WQBDCGSPWQNPHX-MRXNPFEDSA-N 421.457 1.475 0 50 HDAA CCOc1cc(C(=S)N2CCN(C)CC2)ccc1OCC(=O)N1CCOCC1 4258280 QRJPVLNDTGDIAR-UHFFFAOYSA-N 407.536 1.246 0 50 HDAA CN1CCN(S(=O)(=O)c2ccc(NC(=O)[C@@H]3CC=CC[C@@H]3C(=O)O)cc2)CC1 4801822 OZFLFESHOSDAAE-SJORKVTESA-N 407.492 1.228 0 50 HDAA COc1ccc(CN(C)CCn2cc(C(=O)N3CCN(C)CC3)nn2)c2ccccc12 14993166 BAXAWIFXGZQNJM-UHFFFAOYSA-N 422.533 1.960 0 50 HDAA CN(CCc1ccccn1)C(=O)CC[C@@H]1CCCN(C(=O)CN2CCOC2=O)C1 20205966 HXIHPJBMTVBCAC-KRWDZBQOSA-N 402.495 1.554 0 50 HDAA O=C(c1nc2ccccn2c1CN1CCN(c2ccccc2)C(=O)C1)N1CCOCC1 20295847 KPQSPOXWBDBHMR-UHFFFAOYSA-N 419.485 1.656 0 50 HDAA COc1cccc(-c2c3c(=O)n(CCN4CCOCC4)ccc3nc3ncnn23)c1 40398258 FMEXERDWNRRGII-UHFFFAOYSA-N 406.446 1.447 0 50 HDAA CN(Cc1ncc[nH]1)C(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(CCOc4ccccc4)C(=O)[C@@H]13)O2 77485740 SRYSSPAQARYIHB-VGYLUTEMSA-N 408.458 1.229 0 50 HDAA O=C(NCc1ccccn1)[C@@H]1CCCN(C2CCN(C(=O)Cn3ccnc3)CC2)C1 82156224 QLVGFZSQUVXSFT-GOSISDBHSA-N 410.522 1.298 0 50 HDAA CC[C@H](C)[C@H](CO)NC(=O)C[C@@H]1N=C(O)N(CCc2c[nH]c3ccccc23)C1=O 252533145 FZAYBNVCBWTPQM-KKXDTOCCSA-N 400.479 1.749 0 50 HDAA COc1ccc(CN2C(=O)[C@@H](CC(=O)NCc3nc4ccccc4n3C)N=C2O)cc1 252535752 GTINPPBSWUTHML-QGZVFWFLSA-N 421.457 1.913 0 50 HDAA CCN1CCC[C@@H]1CNC(=O)CC[C@H]1N=C(O)N(CCc2ccc(OC)cc2)C1=O 253535035 FDYKSRFLVHUALH-IEBWSBKVSA-N 416.522 1.743 0 50 HDAA O=C1CO[C@@H](COc2ccc(F)cc2)CN1C1CCN(CCn2cccn2)CC1 299793587 HWJZUFFETJSZBX-HXUWFJFHSA-N 402.470 1.793 0 50 HDAA O=C1NC(=O)[C@@]2(CCCN(CC(=O)N3Cc4ccccc4[C@H](c4ccccc4)C3)C2)N1 434793705 MBUFVDPTFAYZDV-RDPSFJRHSA-N 418.497 1.835 0 50 HDAA CS(=O)(=O)N1CCO[C@@H](CNC(=O)c2ccc(N3CCCC3)c(Cl)c2)C1 952977041 ZLSKWAQDRCQYHL-AWEZNQCLSA-N 401.916 1.330 0 50 HDAA CN(C)C[C@@]12CN(C(=O)Cc3cccs3)C[C@@H]1CN(C(=O)c1cncc(F)c1)C2 1772700501 BYETUAWVTYDJGN-IERDGZPVSA-N 416.522 1.987 0 50 HDAA CN(C)S(=O)(=O)N1C[C@H]2CN(Cc3ccc(Cl)cc3)C[C@]2(CCC(=O)O)C1 1772817282 AYEGPYPCMNDBBU-CRAIPNDOSA-N 415.943 1.745 0 50 HDAA Cc1cc(C(=O)N2C[C@H]3CN(S(=O)(=O)CC(C)C)C[C@]3(CN(C)C)C2)nc(C)n1 1772818281 BYURZVOWTHKYLU-PXNSSMCTSA-N 423.583 1.015 0 50 HDAA COc1nc2c(cc1CNC(=O)c1ccn3ncnc3c1)C(=O)N(C1CCCC1)C2 1857677464 CTMBCMUMQPESHF-UHFFFAOYSA-N 406.446 1.961 0 50 HDAA CCN1CC[C@@H]2C[C@@H](N3CCOCC3)CC[C@@]2(C(=O)NCCc2ccnn2C)C1 1857707140 GAHOFRVRLLXQCL-KAGYGMCKSA-N 403.571 1.292 0 50 HDAA CCOCCC(=O)N1C[C@@H]2[C@H](CNC(=O)c3cnc(C)c(C)c3)[C@H]3CC[C@]2(C1)O3 1857713561 PRYULIHYAZPRLV-JZJXAQOMSA-N 401.507 1.861 0 50 HDAA CCOC(=O)CNC(=O)N1CCC[C@@]2(CCc3c(O)nc(-c4cccnc4)nc32)C1 1857740587 LIIUNNXHVNOAMT-OAQYLSRUSA-N 411.462 1.797 0 50 HDAA COCCn1cc2c(=N[C@@H](C)c3ccc(S(C)(=O)=O)c(OC)c3)ncnc-2[nH]1 1875315542 ZCODQSMTOMTVEW-LBPRGKRZSA-N 405.480 1.431 0 50 HDAA O=C1CC[C@@H](N2Cc3ccc(CNC(=O)OC[C@@H]4CC5CC4C5)cc3C2=O)C(=O)N1 2325901091 TVZTVPWXLBLABD-JMRUKAPWSA-N 411.458 1.720 0 50 HDAA COCCCNC(=O)[C@@]12CC[C@H](N3CCOCC3)C[C@H]1CCN(c1ccncc1)C2 2356161962 RDBAGJUUGPTZDB-UNWVZKJWSA-N 416.566 1.932 0 50 HDAA CS(=O)(=O)N1CCC(Oc2ccccc2C(=O)NCCOc2cccnc2)CC1 12304405 ZIQQTEJFAAVPHX-UHFFFAOYSA-N 419.503 1.693 0 50 HDAA CCOC(=O)N1CCC(N2CCc3nnc(CNC(=O)[C@@H](C)CC)n3CC2)CC1 14881136 QNCABRQCJSKEGC-HNNXBMFYSA-N 406.531 1.419 0 50 HDAA O=C1CC[C@@H](C(=O)N2CCc3c(Cl)cccc3C2)CN1CCN1CCOCC1 15073772 PPDDNPQHFSLBKV-QGZVFWFLSA-N 405.926 1.796 0 50 HDAA Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3cccs3)CC2)n1 32498039 NGHGEZPMTWRTAS-UHFFFAOYSA-N 409.537 1.194 0 50 HDAA Cc1nccn1-c1cc(N2CCN(S(=O)(=O)c3ccccc3F)CC2)ncn1 67620491 JBNMMQIYUWRQDM-UHFFFAOYSA-N 402.455 1.621 0 50 HDAA COCCCN1CC2(CCC1=O)CCN(C(=O)Cc1c(C)nc(N)nc1C)CC2 91475936 DRNAAGDSEFOOJT-UHFFFAOYSA-N 403.527 1.486 0 50 HDAA Cc1ccccc1OCC(=O)N1CCC[C@H](n2ncc(N3CC[C@H](O)C3)cc2=O)C1 328606087 QKBWWSOOJARKLG-HKUYNNGSSA-N 412.490 1.365 0 50 HDAA NS(=O)(=O)c1ccc(Br)c(C(=O)NN2CCc3ccccc3C2=O)c1 781063972 VKLDOKDODFCUEM-UHFFFAOYSA-N 424.276 1.440 0 50 HDAA O=C([C@H]1CC(=O)N(c2nccs2)C1)N1CCC2(CC1)Nc1ccccc1NC2=O 1857736438 PDNBUNBLIBKLGD-ZDUSSCGKSA-N 411.487 1.921 0 50 HDAA COc1ccc(F)cc1C(=O)NC1([C@H]2CCN(C(=O)C[C@H]3CCNC3=O)C2)CC1 1875335000 OJQAIYZNKLDFHG-KGLIPLIRSA-N 403.454 1.471 0 50 HDAA COc1ccc(C(=O)N2C[C@@H](O)[C@H](Cc3cc(C)no3)C2)cc1N1CCOCC1 2100480697 QQAHAGCRLMJUFR-VQIMIIECSA-N 401.463 1.504 0 50 HDAA COc1ccc(OCC(=O)N2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)cc1 1457352 CMZDSEKBJIJDGM-UHFFFAOYSA-N 420.487 1.616 0 50 HDAA COCCNC(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccccc1 2962374 CWMJFANBWPIZGP-UHFFFAOYSA-N 408.476 1.662 0 50 HDAA O=C1NCCN(CCc2ccccc2)[C@H]1CC(=O)N1CCN(Cc2cccnc2)CC1 12431194 LVNGREPQHYCGGR-QFIPXVFZSA-N 421.545 1.159 0 50 HDAA Cc1nc(CN2CCN(C(=O)Cn3nnnc3CN3CCC(C)CC3)CC2)cs1 15063952 YQHCEHBKTQTVPS-UHFFFAOYSA-N 418.571 1.014 0 50 HDAA Cc1nc[nH]c1CN1CCc2c(c(C(=O)N3CCOCC3)nn2CCC(C)C)C1 20204060 ZIVVJWYYZFPXLW-UHFFFAOYSA-N 400.527 1.991 0 50 HDAA CCOC(=O)N1CCN(C(=O)C[C@]2(c3cccc(F)c3)CC(=O)N(C)C2=O)CC1 20271229 WEDGYKPRQTVIBU-FQEVSTJZSA-N 405.426 1.143 0 50 HDAA COc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2NC2CCCCC2)cc1C 54093184 ZEJOSAMXYYDSTG-WMZOPIPTSA-N 401.550 1.865 0 50 HDAA Cc1n[nH]c(C)c1CCN(C)C(=O)C[C@H]1C(=O)NCCN1Cc1ccccc1F 55568928 FDQOGPBXIBXQDD-IBGZPJMESA-N 401.486 1.557 0 50 HDAA CN(Cc1ccon1)C(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(CCOc4ccccc4)C(=O)[C@H]13)O2 77377145 KDKXVDSCCIEOKD-WEMPKCCASA-N 409.442 1.494 0 50 HDAA COc1ccc(CN2C(=O)[C@H](CCC(=O)N[C@@H](CO)CCSC)N=C2O)cc1 253535659 AOKTYIFAFMAFTA-ZBFHGGJFSA-N 409.508 1.330 0 50 HDAA CN(CC(=O)OC(C)(C)C)[C@@H]1CN(C(=O)c2ccccc2OC(F)F)C[C@H]1O 253630150 PWRAURUNJPTVQF-ZIAGYGMSSA-N 400.422 1.747 0 50 HDAA O=C(c1c[nH]nc1-n1cnnn1)N1CC[C@@]2(CCCN(CC3CCCCC3)C2=O)C1 426434505 QSWUKDGKBHKXPM-FQEVSTJZSA-N 412.498 1.420 0 50 HDAA CCN(CC)[C@@H]1CCN(CC(=O)N2CCCc3cc(S(=O)(=O)N(C)C)ccc32)C1 464776923 ODZLUTPFRKFUQA-GOSISDBHSA-N 422.595 1.632 0 50 HDAA Cc1ncc(CN2CCC3(CC2)CN(C(=O)CCc2n[nH]c(C)c2C)CCO3)[nH]1 825106314 HNHHKANVFOBUPZ-UHFFFAOYSA-N 400.527 1.884 0 50 HDAA Cc1ccc(S(=O)(=O)NCCCNC(=O)Cn2[nH]c3ccccc3c2=O)cc1 825176872 NFJMDNRDQLAHCT-UHFFFAOYSA-N 402.476 1.123 0 50 HDAA Cc1nn(CC(F)(F)F)c(C)c1[C@@H]1COCCN1C(=O)COCc1nccn1C 952894107 PPRSAWYXSLATCO-AWEZNQCLSA-N 415.416 1.912 0 50 HDAA CN(CC1CCN(Cc2ccccc2)CC1)S(=O)(=O)N1CCC[C@H](C(=O)O)C1 1506420740 AIAMLASRBPOTBO-IBGZPJMESA-N 409.552 1.872 0 50 HDAA N=c1ccnc(N2CCC(N3C[C@H](COc4ccc(F)cc4)OCC3=O)CC2)[nH]1 1857668127 CAWMUWARKMIWOF-QGZVFWFLSA-N 401.442 1.303 0 50 HDAA O=C1CC[C@@H](N2Cc3ccc(NC(=O)c4cn5ccnc5s4)cc3C2=O)C(=O)N1 2325895492 BPYHKEIKJIPWNV-CYBMUJFWSA-N 409.427 1.409 0 50 HDAA C[C@@H](OC(=O)NCc1ccc2c(c1)C(=O)N([C@@H]1CCC(=O)NC1=O)C2)C1CSC1 2325901223 YNCVQPHMPHDOME-BDJLRTHQSA-N 417.487 1.425 0 50 HDAA O=C(O)CCC1(CCC(=O)O)S(=O)(=O)CC(c2ccccc2)CS1(=O)=O 3121876 YYYNLXHRWZQGMD-UHFFFAOYSA-N 404.462 1.039 0 50 HDAA COCCN1C(=O)C[C@](CC(=O)N2CCC(C)CC2)(c2cccc(OC)c2)C1=O 12210552 JAAPANZTUQRTIR-JOCHJYFZSA-N 402.491 1.987 0 50 HDAA CC(C)N1CCNC(=O)[C@@H]1CC(=O)N1CCCN(CCCc2ccccc2)CC1 12314356 DJFRZDPGCAGTAK-NRFANRHFSA-N 400.567 1.752 0 50 HDAA CCOC(=O)N1CCN(C(=O)CNC(=O)N2CCc3c([nH]c4ccccc34)C2)CC1 12407628 MTUIEAOOCYDXPG-UHFFFAOYSA-N 413.478 1.536 0 50 HDAA biogenic COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)N(C)Cc2nonc2C)cc1C 12714601 VEXIYUGRLFPSML-QGZVFWFLSA-N 401.467 1.044 0 50 HDAA COc1ccc(C[C@@H]2NC(=O)[C@H]3CN(C(=O)c4ccc(C)cc4)CCN3C2=O)cc1 14533299 FBUIMGNOEMICDO-VQTJNVASSA-N 407.470 1.398 0 50 HDAA COc1cccc(CN2CCN(C(=S)Nc3ccc(S(N)(=O)=O)cc3)CC2)c1 20274238 MLPFHJZTZFSRFM-UHFFFAOYSA-N 420.560 1.857 0 50 HDAA COCCN1CCN(C(=O)c2cc(OC)ccc2OC2CCN(C(C)=O)CC2)CC1 20917184 KJZXGSDFHJJCSQ-UHFFFAOYSA-N 419.522 1.489 0 50 HDAA N[C@@H]1CCN(Cc2cn(C3CCN(C(=O)Cc4cccc(F)c4F)CC3)nn2)C1 23368930 KRDQZOPZBGBBPA-OAHLLOKOSA-N 404.465 1.496 0 50 HDAA CCN1CCN(CCCN2CC3(CCN(C(=O)[C@H]4CCCO4)CC3)OC2=O)CC1 77342745 MPYUFSRMZRPELE-GOSISDBHSA-N 408.543 1.006 0 50 HDAA Cc1nc(CCN(C)C(=O)[C@@H]2[C@@H]3C=C[C@@]4(CN(c5ccc(F)cc5)C(=O)[C@@H]24)O3)no1 77537565 SSFULABKSIKZJJ-VZRKHXGSSA-N 412.421 1.505 0 50 HDAA O=C(NC[C@H](O)CNc1ccc(N2CCOCC2=O)cc1)c1ccc(Cl)s1 113067210 OKMRQXXUAFSBCM-CQSZACIVSA-N 409.895 1.968 0 50 HDAA in-vitro Cc1ccccc1NC(=O)CNC(=O)[C@@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@@H]2OC(C)(C)O[C@@H]12 229966414 BHUQSEILKUQVBJ-VYIWNADRSA-N 420.462 1.446 0 50 HDAA O=C(Cc1ccccc1F)NC[C@H]1CN(C2CCN(C3CCC3)CC2)C(=O)CO1 299782220 SIHUVXIFLUOYND-IBGZPJMESA-N 403.498 1.729 0 50 HDAA COc1ccc(S(N)(=O)=O)cc1C(=O)N[C@@H]1CCCN(Cc2cccs2)C1 670471139 ABVGGIBAZRFQOY-CYBMUJFWSA-N 409.533 1.799 0 50 HDAA CCc1nc2cc(NC(=O)[C@H]3[C@@H]4CC[C@@]5(CN(CCN)C(=O)[C@@H]35)O4)ccc2n1CC 952990976 YEHBWAUWIQNDGF-UYZIEWPDSA-N 411.506 1.522 0 50 HDAA Cc1noc(-c2ccc(S(=O)(=O)N3CCN(CCn4cncn4)CC3)o2)c1C 1506409564 YWFDCDPSVRHBKF-UHFFFAOYSA-N 406.468 1.149 0 50 HDAA COc1ccnc(C(=O)NC[C@@H]2CN(CC3CCN(CC4CC4)CC3)C(=O)CO2)c1 1857672115 KKSMUJMHVLQGSV-LJQANCHMSA-N 416.522 1.169 0 50 HDAA O=C1CN(C(=O)c2ccc[nH]2)CCCNC(=O)c2cc(Cl)ccc2OCCN1 1857703989 YPMPBLKCSUKQHP-UHFFFAOYSA-N 404.854 1.439 0 50 HDAA CCN1CC[C@@H]2C[C@@H](N3CCOCC3)CC[C@@]2(C(=O)NCc2cn(C)nc2C)C1 1857707418 RJSVBYVLBXHEIY-RZUBCFFCSA-N 403.571 1.558 0 50 HDAA O=C(c1cncc(O)c1)N1CCC2(CCc3c(O)nc(N4CCOCC4)nc32)CC1 1940195154 GNSFHXWMMFJTLA-UHFFFAOYSA-N 411.462 1.240 0 50 HDAA CCCN(C)C[C@@H]1[C@@H](c2ccccc2)[C@]12CN(C(=O)Cn1ccccc1=O)C[C@H]2O 2100539302 BKNBUXRGEXNIMJ-FAYOUJPWSA-N 409.530 1.793 0 50 HDAA O=C1CCCCN1CC(=O)N1CC[C@@H](O)[C@](CCCc2ccccc2)(C(=O)O)C1 2356170007 QLSULKZQINKPNO-XMSQKQJNSA-N 402.491 1.686 0 50 HDAA NC(=O)c1ccccc1NC(=O)c1cccc(C(=O)Nc2ccccc2C(N)=O)n1 2114978 OAYGIGIEPWBBQE-UHFFFAOYSA-N 403.398 1.784 0 50 HDAA COc1ccc(S(=O)(=O)NC[C@@H]2CCCN(C(=O)Cc3ccccn3)C2)cc1 12198583 FYFZIRDSMPUTPC-INIZCTEOSA-N 403.504 1.850 0 50 HDAA COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)N(C)Cc2ccccn2)c(F)c1 12304660 KFRDKSDOEPHNBZ-IBGZPJMESA-N 400.454 1.578 0 50 HDAA COc1ccc(SCCNC(=O)[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)cc1 72446903 ICJAOSWKAQGCGL-CQSZACIVSA-N 401.554 1.422 0 50 HDAA O=C1CO[C@@H](COc2ccc(F)cc2)CN1C1CCN(CCc2ncc[nH]2)CC1 299791852 GBHZADALCSPKJM-LJQANCHMSA-N 402.470 1.862 0 50 HDAA CS(=O)(=O)NCCC(=O)N1CC[C@]2(CCCN(Cc3ccc(F)cc3)C2=O)C1 426490265 UXVFMLCDUJAJDG-LJQANCHMSA-N 411.499 1.106 0 50 HDAA O=C(CC1=CSC2=NCCCN12)N1C[C@@H]2CN(Cc3ccccn3)C[C@]2(CO)C1 1772814384 WHVAXSDYNJLKKR-HRAATJIYSA-N 413.547 1.374 0 50 HDAA CC1(C)CNC(=O)C2(CCN(Cc3cnc(NC[C@H]4CCCO4)nc3)CC2)NC1 1800410026 NBUJVWCFZDEEIS-QGZVFWFLSA-N 402.543 1.148 0 50 HDAA O=C(NCCO)[C@@]12CCCCN1C[C@@H](NC1CCN(c3ccc(F)cc3)CC1)C2 1857692490 HEOXDXUAIRHXRR-UGKGYDQZSA-N 404.530 1.490 0 50 HDAA C=CC(=O)N1CCC[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)C1 2325889607 YPFQNMYKYDBKBP-OAHLLOKOSA-N 409.483 1.083 0 50 HDAA COC(=O)c1ccc(C(=O)OC)c(NC(=O)CS(=O)(=O)Cc2ccccc2)c1 1114145 NKGJGUHFBAASRG-UHFFFAOYSA-N 405.428 1.813 0 50 HDAA Cc1ccc2c(C)nc(N3CCC[C@H](N[C@@H]4CS(=O)(=O)C[C@H]4O)CC3)nc2c1 12127110 CXGITAAMGQIAQC-KFKAGJAMSA-N 404.536 1.353 0 50 HDAA O=C(NC[C@H](c1ccc(F)cc1)N1CCCC1)c1cn(CCN2CCOCC2)nn1 14964924 PJDFOMIHDUULKM-HXUWFJFHSA-N 416.501 1.316 0 50 HDAA O=C(O)c1[nH]ncc1CN1CCC(N2CCC(C(=O)NC[C@H]3CCCO3)CC2)CC1 71765339 SXABTTHALCMBHN-GOSISDBHSA-N 419.526 1.080 0 50 HDAA CC(C)(NC(=O)[C@@H]1CCCN(C2CCN(C3Cc4ccccc4C3)CC2)C1)C(N)=O 91462129 ZZCPIQZYDMVLJW-LJQANCHMSA-N 412.578 1.710 0 50 HDAA COCCNC(=O)c1ccc(OC)cc1OC1CCN(C(=O)c2cnco2)CC1 95503761 AXJPEQZOXAUAFP-UHFFFAOYSA-N 403.435 1.743 0 50 HDAA COc1cc(C(=O)NCCCn2ccnn2)ccc1OC1CCN(C(C)=O)CC1 95504577 MCRBVKJOXZXFJV-UHFFFAOYSA-N 401.467 1.497 0 50 HDAA CC[C@@H](C(=O)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)COC)n1cccn1 95507472 MCEIWUVBCUGGJS-INIZCTEOSA-N 400.483 1.106 0 50 HDAA Cn1nnc(Br)c1S(=O)(=O)Nc1cccc(N2CCCC2=O)c1 170610547 QOGOFMJHNOXMRT-UHFFFAOYSA-N 400.258 1.505 0 50 HDAA CCOC(=O)c1ccc2c(c1)nc(CN1CCC([C@@H](O)C(=O)OC)CC1)n2CC 252496930 PVHSKKFJAIZJTC-LJQANCHMSA-N 403.479 1.979 0 50 HDAA Cc1cc(C(=O)N2CCOC3(CCN(C(=O)CN4CCCC4)CC3)C2)ccc1O 827921365 QFBRBIKYYVHBPO-UHFFFAOYSA-N 401.507 1.630 0 50 HDAA CCOC(=O)[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CCN(Cc1cccnc1N)C2 1857707478 URAWVHJGSJQCOC-WOIUINJBSA-N 402.539 1.920 0 50 HDAA N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC2(CCc3c(O)nc(-c4ccccc4)nc32)CC1 1857732748 FAGQARHOVUHRCR-SFHVURJKSA-N 418.501 1.949 0 50 HDAA CN(C)S(=O)(=O)C[C@@H]1CN(c2nc(-c3ccccc3)nc3c2CCC3)C[C@@H]1O 1857735956 DSLZUYYWSXEUEF-YJBOKZPZSA-N 402.520 1.321 0 50 HDAA COc1ccc(F)cc1C(=O)N[C@H]1CN(C(=O)C[C@H]2CCNC2=O)CC(C)(C)C1 1875334839 HLLYUBWZHQUZFO-UKRRQHHQSA-N 405.470 1.717 0 50 HDAA CN(Cc1nnnn1CC1CC1)[C@H]1CCCC[C@H]1N(C)Cc1nnnn1CC1CC1 2325737704 IEWFTOWTIXRUBP-HDICACEKSA-N 414.562 1.355 0 50 HDAA COCC(=O)N1CCC(Oc2ccc(C(=O)NCCCN3CCCC3=O)cc2)CC1 12031097 GLFJKUIQVLTZST-UHFFFAOYSA-N 417.506 1.445 0 50 HDAA CC(=O)N[C@@H](NC(=S)Nc1ccc(S(N)(=O)=O)cc1)C(Cl)(Cl)Cl 13638620 ORTWNPYZBSUZHU-VIFPVBQESA-N 419.743 1.453 0 50 HDAA COc1ccc(OC[C@H](O)CN(C)C)c(CN2CCC(N3CCOCC3)CC2)c1 20455872 RUBWRMHIPPSPSB-HXUWFJFHSA-N 407.555 1.293 0 50 HDAA Cc1cc2[nH]c(=O)cc(Cn3nc(-c4cnn(C)c4C)cc3-c3cnn(C)c3C)n2n1 20617839 IQQHEMMNOSDTIN-UHFFFAOYSA-N 417.477 1.994 0 50 HDAA CCc1nnc(CN(CC)C(=O)[C@H]2[C@@H]3C=C[C@@]4(CN(CC(C)(C)C)C(=O)[C@H]24)O3)o1 77457573 FEHASUDYWIEPAF-GDEPLPEGSA-N 402.495 1.809 0 50 HDAA Cn1ccc(C(=O)N2CCC(N3CCC[C@@H](C(=O)NCc4ccccn4)C3)CC2)n1 82155690 NIMRYHJCVYRDKF-QGZVFWFLSA-N 410.522 1.448 0 50 HDAA CC[C@H](C)N1C(=O)[C@@H]2[C@H]([C@H](C)O)N[C@@]3(C(=O)Nc4c3ccc(Cl)c4C)[C@@H]2C1=O 245256323 OWTVRJFUUJRVCS-JZRGCALNSA-N 405.882 1.548 0 50 HDAA COC(=O)c1cnc(O)c([C@@H](CC(N)=O)c2cc3cccc4c3n(c2=O)CC4)c1O 253623607 BBTRVLCQERYMAE-LBPRGKRZSA-N 409.398 1.158 0 50 HDAA biogenic COc1cc(CC(=O)N2CCCO[C@H](Cn3cccn3)C2)c(C(C)=O)cc1OC 426415362 MCBMSYBIMXFRHG-KRWDZBQOSA-N 401.463 1.963 0 50 HDAA Cc1ccc(C(=O)N2CCCN(C(=O)[C@H]3CCOC3)CC2)cc1N1CCNC1=O 1529161176 ASJIQAYFRNVVBN-KRWDZBQOSA-N 400.479 1.236 0 50 HDAA O=C(c1ccncc1)N1C[C@H]2CN(C(=O)c3nc4c(s3)CCCC4)C[C@]2(CO)C1 1772704636 DENMIVHMOVGEPO-BTYIYWSLSA-N 412.515 1.624 0 50 HDAA CSCC(=O)N1C[C@H]2CN(C(=O)Cc3cccc(F)c3)C[C@]2(CCC(=O)O)C1 1772807675 RFYNDPRJTMWVQV-FOIQADDNSA-N 408.495 1.883 0 50 HDAA O=C(Cn1cccn1)N1CCO[C@@]2(CCN(Cc3nc(-c4ccccc4)no3)C2)C1 1857705296 BEBKZMGUCYHQPW-OAQYLSRUSA-N 408.462 1.437 0 50 HDAA O=C(c1ccc(N2CCOCC2)nc1)N1CC[C@@H](O)[C@@](CO)(Cc2ccccc2)C1 1857721343 KVXMRGVDSINAME-OFNKIYASSA-N 411.502 1.346 0 50 HDAA CN(C)S(=O)(=O)C[C@@H]1CN(C(=O)C2(c3ccc(Cl)cc3)CCC2)C[C@H]1O 1857724806 DWUUDFLNUCPRGC-XJKSGUPXSA-N 400.928 1.472 0 50 HDAA COC(=O)[C@@H]1C[C@@H](O)CN(C(=O)[C@@]2(NC(=O)OC(C)(C)C)CCOC(C)(C)C2)C1 1875306220 XSPUHQSQHBCHQP-ARGWCVDVSA-N 414.499 1.221 0 50 HDAA CN(C)c1cccc(CN(C)c2ncnc3c2ncn3CCN2CCC(O)CC2)c1 2325872278 PTEOFBJQOYLSIP-UHFFFAOYSA-N 409.538 1.985 0 50 HDAA CC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)CN2C(=O)c3ccccc3C2=O)cc1 1131188 DDYKDKIOZYSSRK-ZDUSSCGKSA-N 415.471 1.998 0 50 HDAA Cc1cc(CO)c(OCCOCCOc2c(CO)cc(C)cc2CO)c(CO)c1 2075439 DAFMBEDPNDIUKC-UHFFFAOYSA-N 406.475 1.747 0 50 HDAA COC(=O)c1cc(C)nc2c1c(=O)n(CC(=O)Nc1cc(C)ccc1C)c(=O)n2C 12447263 JRFZOEIGRZTCMM-UHFFFAOYSA-N 410.430 1.446 0 50 HDAA O=C(O)COCC(=O)Nc1sc2c(c1C(=O)NCc1cccnc1)CCCC2 17082651 OUBFEUMARQKDAJ-UHFFFAOYSA-N 403.460 1.992 0 50 HDAA CCN1CCN(C[C@H](O)COc2cccc(CN(CC)CCn3cccn3)c2)CC1 19840896 WBMQGTNDGWFNRD-QFIPXVFZSA-N 415.582 1.782 0 50 HDAA COc1ccc(NC(=O)CSc2nnc(NC(=O)CN3CCOCC3)s2)cc1 20477983 SFVMGQIHSOJOOG-UHFFFAOYSA-N 423.520 1.548 0 50 HDAA Cc1nc2ccccn2c1CN(C)C(=O)[C@@H]1CCC(=O)N(CCN2CCOCC2)C1 20514939 FMYONQSVOVUFRY-GOSISDBHSA-N 413.522 1.172 0 50 HDAA CSc1ccc(CN2CCN(CCn3cc(C(=O)NC(C)C)nn3)CC2)cc1 23159201 BDVLLZGJOMKJBH-UHFFFAOYSA-N 402.568 1.956 0 50 HDAA CN(CCCn1cccn1)C(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(Cc4cccnc4)C(=O)[C@@H]13)O2 77408092 HYSHTZABLUMHAF-VWNVYAMZSA-N 407.474 1.109 0 50 HDAA Cc1cnc(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N3CC(c5cccnc5)C3)[C@H]4C2=O)cn1 77470501 LOLCOOQTVSPLDG-MXBUBSDBSA-N 417.469 1.088 0 50 HDAA Cc1ccc(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N(C)Cc3cc[nH]n3)[C@H]4C2=O)cc1C 77554783 CFPOCQPBPGFGPT-SRYPRDQNSA-N 406.486 1.967 0 50 HDAA CC1(C)C(=O)NC(=O)N1CC(=O)N1CCC[C@@](C)(Cc2ccc3c(c2)OCO3)C1 95528292 RDSLOQFKUSHHIL-NRFANRHFSA-N 401.463 1.917 0 50 HDAA Cc1nc(-c2c3n(c(=O)n(CC(=O)Nc4ccc(C)c(F)c4)c2=O)CCCC3)no1 169763906 IFFCDJUDCSDJEY-UHFFFAOYSA-N 413.409 1.791 0 50 HDAA Cc1cc(C)cc(C(=O)NC2CCN(C(=O)c3cc4c(=O)[nH]c(C)cn4n3)CC2)c1 169780296 AEHHUTXBOMDVMX-UHFFFAOYSA-N 407.474 1.982 0 50 HDAA COc1ccccc1NC(=O)[C@H](C)OC(=O)[C@H](C)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O 248134172 MGUUONRXTSCTKD-BYNSBNAKSA-N 400.431 1.905 0 50 HDAA CN(C)c1cncc(NC[C@@H]2CN(CC3CCN(CC4CC4)CC3)C(=O)CO2)n1 299797088 PNSYOWWMSREHQJ-GOSISDBHSA-N 402.543 1.304 0 50 HDAA O=C(CN1CCOCC1)N1CCN(c2nc(C(F)(F)F)nc3ccccc23)CC1 836606871 WWRNVGIKOLNQNC-UHFFFAOYSA-N 409.412 1.629 0 50 HDAA CN(c1ccc(C(=O)N2CCc3nc[nH]c3[C@H]2c2cccnc2)cc1)S(C)(=O)=O 952974747 BOQDPQSUXKOJLC-LJQANCHMSA-N 411.487 1.988 0 50 HDAA CC(=O)c1ccc(C(=O)N2C[C@H]3CN(C(=O)c4cc(C)on4)C[C@]3(CO)C2)s1 1772702876 LYSCXEIDRILNHH-BFUOFWGJSA-N 403.460 1.454 0 50 HDAA CCn1nc(C)c(NC(=O)CN2C[C@H]3CN(Cc4nccs4)C[C@]3(CO)C2)c1C 1772804568 ATEVTAQKSSCFMT-JXFKEZNVSA-N 418.567 1.341 0 50 HDAA CCC(=O)NCC(=O)N1C[C@@H]2[C@H](CNC(=O)CC3CCCCC3)[C@H]3CC[C@]2(C1)O3 1857709978 BKZBXKNADGRIKZ-KCXPTXFHSA-N 405.539 1.605 0 50 HDAA COC1(C(=O)NCCCn2ccnc2)CCN(C(=O)c2n[nH]c3ccccc23)CC1 1857732264 JWQNWFKZTFVRLP-UHFFFAOYSA-N 410.478 1.587 0 50 HDAA CN1C[C@H]2COC[C@@H]1CN(C(=O)C1CCN(C(=O)c3cccc(Cl)c3)CC1)C2 1875246041 YAROUEWYHQHMMO-BEFAXECRSA-N 405.926 1.981 0 50 HDAA O=C(CO)N1CC[C@]2(C1)C(=O)N(Cc1noc(-c3ccccc3)n1)c1ccccc12 2100556668 OKZJRJFOQGDNIA-JOCHJYFZSA-N 404.426 1.746 0 50 HDAA O=C(NC[C@H](O)c1ccccn1)c1cccc(C(=O)NC[C@H](O)c2ccccn2)c1 2325723709 KUVXAYDMBDFNHK-PMACEKPBSA-N 406.442 1.403 0 50 HDAA COC(=O)CCCCC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)c1ccn([C@H]2CC2(F)F)n1 2325872022 FEMXKAFNQXUKBB-PLNCSYRRSA-N 410.421 1.526 0 50 HDAA COc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(OC)c(OC)c3)CC2)cc1 779594 VPKLSNXLLSEALA-UHFFFAOYSA-N 420.487 1.859 0 50 HDAA COc1ccc(CCNC(=O)C[C@@H]2C(=O)NCCN2Cc2ccccc2)c(OC)c1 12708055 ZPLFMEKYUNWEKY-HXUWFJFHSA-N 411.502 1.753 0 50 HDAA COc1ccc(S(=O)(=O)NC[C@@H]2CCCN(C(=O)CCn3cccn3)C2)cc1 12708652 RRJVXLLSBJZRNQ-INIZCTEOSA-N 406.508 1.499 0 50 HDAA COCCNC(=O)c1cn([C@@H]2CCCN(C(=O)c3ccc(OC)cc3OC)C2)nn1 14952087 VNCFHVXWXSKVTF-CQSZACIVSA-N 417.466 1.149 0 50 HDAA CN1CCC(N(C)C(=O)CC[C@@H]2CCCN(C(=O)CN3CCCCC3=O)C2)CC1 15067297 DRYMYFLRBMIFDA-SFHVURJKSA-N 406.571 1.570 0 50 HDAA O=C(NCCCn1ncc2ccccc21)[C@@H]1CCC(=O)N(CCN2CCOCC2)C1 19335564 NDJRRLSYGMYPBZ-LJQANCHMSA-N 413.522 1.113 0 50 HDAA Cc1ccc(-c2nn(C)c(=O)c3ccccc23)cc1CNC(=O)CN1CCOCC1 20234280 BGAUTUXCUXJHRE-UHFFFAOYSA-N 406.486 1.857 0 50 HDAA COc1ccc(CCN2C[C@H](C(=O)NCCCN3CCOCC3)CCC2=O)cc1 20912257 GXQJVYISKIFKSQ-LJQANCHMSA-N 403.523 1.315 0 50 HDAA Cc1cc(C)n(-c2cc(N3CCN(S(=O)(=O)Cc4ccccc4)CC3)ncn2)n1 65362867 UUWDAWONGAUCGZ-UHFFFAOYSA-N 412.519 1.931 0 50 HDAA Cc1cc(N2CCN(S(=O)(=O)c3c(C)noc3C)CC2)nc(N2CCCC2)n1 67612602 AHLSAPJFQXUKRA-UHFFFAOYSA-N 406.512 1.501 0 50 HDAA CN1CCN(c2cc(N3CCN(C(=O)Cc4c[nH]c5ccccc45)CC3)ncn2)CC1 77136001 PRQQLTMXODUTKI-UHFFFAOYSA-N 419.533 1.601 0 50 HDAA CCOc1ccccc1C(=O)NC1CCN(C(=O)c2cc3c(=O)[nH]c(C)cn3n2)CC1 169777023 MBYNKYCANIOCPC-UHFFFAOYSA-N 423.473 1.764 0 50 HDAA COc1ccc(C(=O)NC2CCN(C(=O)c3cc4c(=O)[nH]c(C)cn4n3)CC2)cc1 169777025 HZDYPLYQGIHEHO-UHFFFAOYSA-N 409.446 1.374 0 50 HDAA COCCn1cc([C@H]2[C@@H](C(=O)NCCCC(=O)OC)CC(=O)N2C(C)(C)C)cn1 252484504 FXTGLKTZZYJZBY-YJBOKZPZSA-N 408.499 1.287 0 50 HDAA CS(=O)(=O)c1ccc(S(=O)(=O)NC[C@](O)(c2ccccc2)C(F)(F)F)cc1 751301507 VNSSKEILPLVDPJ-HNNXBMFYSA-N 423.434 1.819 0 50 HDAA COc1ccc(-c2ccnc(C3CCN(C(=O)CN4CCN(C)C(=O)C4)CC3)n2)cc1 952895216 YCCREGYQQLHHRP-UHFFFAOYSA-N 423.517 1.632 0 50 HDAA C[C@@]1(O)CCOC2(CCN(C(=O)CN(c3cccc(F)c3)S(C)(=O)=O)CC2)C1 1704298015 CWMWESWQLUDGJM-GOSISDBHSA-N 414.499 1.514 0 50 HDAA COc1ccc2oc(N3CCC[C@@H](CC(=O)NCCN4CCOCC4)C3)nc2c1 1857674208 XPAOIQAQEJZMMY-INIZCTEOSA-N 402.495 1.891 0 50 HDAA COc1ccc(CC(=O)N[C@@H]2CCC[C@@H](NC(=O)c3[nH]nnc3C)C2)c(OC)c1 1857682500 LKKDEJUOCPBUJV-HUUCEWRRSA-N 401.467 1.530 0 50 HDAA CC(C)C[C@@H]1[C@H](C(=O)N2CCOCC2)C[C@@H]2CN(Cc3ccccn3)CC(=O)N21 1857693850 PRDILGGIBDKGLG-VAMGGRTRSA-N 400.523 1.388 0 50 HDAA CCOCc1nnc(N2C[C@@H](C(=O)N(C)CCc3scnc3C)CC2=O)s1 1857698145 FNSQOBNCJINBBL-LBPRGKRZSA-N 409.537 1.894 0 50 HDAA C=CC(=O)N(C)c1ccc(C(=O)N2CCN(S(=O)(=O)c3ccn(C)c3)CC2)cc1 2325889807 YNJKEDBJEVJEBC-UHFFFAOYSA-N 416.503 1.321 0 50 HDAA Cc1cc(C[C@@H]2CN(C(=O)c3cc4c(s3)CCOC43CCNCC3)C[C@@H]2O)n[nH]1 2356144242 OQUUNODMYLZIHC-PBHICJAKSA-N 416.547 1.607 0 50 HDAA CN(C)c1ncc2c(n1)[C@]1(CCCN(C(=O)Cn3c(=O)oc4ccccc43)C1)CC2 2356145610 FHUUPSWLGDDAQU-JOCHJYFZSA-N 407.474 1.957 0 50 HDAA C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@@H](O)CC[C@]34C=O)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1 3875425 ODJLBQGVINUMMR-HZXDTFASSA-N 404.503 1.898 0 50 HDAA biogenic,in-vitro CC(C)C(=O)N[C@H](NC(=S)N[C@H]1CCS(=O)(=O)C1)C(Cl)(Cl)Cl 8828588 IBYYVEJYNOPOAS-IONNQARKSA-N 410.776 1.106 0 50 HDAA COc1cc(CNCCn2ccnc2C)ccc1OC[C@H](O)CN1CCOCC1 11816804 WORHZOPCTAIHHU-LJQANCHMSA-N 404.511 1.062 0 50 HDAA COC(=O)[C@@H](C)NC(=O)c1cc(OC)ccc1OC1CCN(C(=O)C2CC2)CC1 12055246 YVFXGWCZIAJCMY-CYBMUJFWSA-N 404.463 1.766 0 50 HDAA CCn1nc(C(=O)N2CCN(C)CC2)c2c1CC[C@@H](NCc1ccccc1OC)C2 14539298 JBPPNQFIJJLEKD-GOSISDBHSA-N 411.550 1.946 0 50 HDAA CCn1nc(C(=O)N2CCN(C)CC2)c2c1CC[C@H](NC1Cc3ccccc3C1)C2 14733659 ZFAFIVOWJHVIBF-IBGZPJMESA-N 407.562 1.905 0 50 HDAA COC(=O)C[C@@H]1C(=O)NCCN1Cc1nc(-c2ccc(OC)cc2OC)oc1C 39405527 KARMUKNJDFDZTB-MRXNPFEDSA-N 403.435 1.531 0 50 HDAA CN1CCN(c2cc(N3CCN(C(=O)c4c(F)cccc4F)CC3)ncn2)CC1 72441609 LJHPKYNQIXYKCV-UHFFFAOYSA-N 402.449 1.469 0 50 HDAA COc1cc(C(=O)N[C@H](C)c2nncn2C)ccc1OC1CCN(C(C)=O)CC1 95518306 KUJOGDRIRNTZQW-CYBMUJFWSA-N 401.467 1.704 0 50 HDAA Cc1cc(NS(=O)(=O)c2ccc(NC(=O)[C@H]3[C@H](C(=O)O)[C@H]4CC[C@H]3O4)cc2)no1 239009601 AXMOQMWHHSRTLD-RRCSTGOVSA-N 421.431 1.601 0 50 HDAA NC(=O)c1ccc(NC(=O)c2cccc(NC(=O)N[C@H]3CCS(=O)(=O)C3)c2)cc1 888090693 OIARXRURZLWTJV-INIZCTEOSA-N 416.459 1.346 0 50 HDAA c1nnn(C23C[C@H]4C[C@@H](CC(NCc5cnc(NC[C@@H]6CCCO6)nc5)(C4)C2)C3)n1 952960438 WXDSNLQJZQJDIT-VYNRCINGSA-N 410.526 1.892 0 50 HDAA CCC(=O)N[C@@]1(C)CC2(CCN(C(=O)c3nn(C)c4ccccc34)CC2)OC[C@@H]1O 1704309300 NAZGLXQOJMNLDH-UWJYYQICSA-N 414.506 1.614 0 50 HDAA CCc1cc(N2CCC3(CC2)CC(=O)N(Cc2nc(C)no2)CCO3)nc(C)n1 1857689030 BXDIBAVRRWRJFR-UHFFFAOYSA-N 400.483 1.827 0 50 HDAA COc1cc(CN)ccc1Oc1ccc(C(=O)NC[C@]2(O)CCNC2)cc1OC 1857693296 QLJXRFRGYMYHNZ-NRFANRHFSA-N 401.463 1.409 0 50 HDAA CCCOc1ccc(-c2nccn2CCS(=O)(=O)N2CCOCC2)cc1CO 1857716377 JJIDBEKLKWWQTE-UHFFFAOYSA-N 409.508 1.493 0 50 HDAA O=C([C@@H]1C[C@H]1c1cnc[nH]1)N1CC2(CCN(C(=O)[C@H]3CCCN3C3CCCC3)C2)C1 1875325595 QDBYQCPGZCAAQU-QWFCFKBJSA-N 411.550 1.981 0 50 HDAA COCCN1C(=O)[C@@]2(CCN(C(=O)c3cccc(-n4cnnc4)n3)C2)c2ccccc21 2100544831 LBIVIFUDIHIZOK-JOCHJYFZSA-N 418.457 1.439 0 50 HDAA COc1ccccc1N1CCN(S(=O)(=O)c2ccc3c(c2)oc(=O)n3C)CC1 814705 KEXUHICHGOPZOG-UHFFFAOYSA-N 403.460 1.651 0 50 HDAA COC(=O)C1CCN(C[C@H](O)COc2cccc(CNCc3cccnc3)c2)CC1 12318731 ASLJZVXOYKQVGJ-NRFANRHFSA-N 413.518 1.996 0 50 HDAA COc1ccc(C(=O)N/C(=C/c2cccs2)C(=O)NCCN2CCOCC2)cc1 19794774 KPIOETYXEBAIFP-XDJHFCHBSA-N 415.515 1.976 0 50 HDAA Cc1ccc(C(=O)N2CCN(CCNC(=O)C(=O)Nc3ccc(F)cc3)CC2)cc1 19830671 UFMZAZDDXMNQQG-UHFFFAOYSA-N 412.465 1.647 0 50 HDAA CN(C)S(=O)(=O)N1CCC(CCC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CC1 77387038 LNGUIYSGUZDROR-HXUWFJFHSA-N 422.595 1.676 0 50 HDAA O=C1C[C@H](N2CCN(Cc3ccccc3)CC2)C(=O)N1c1ccc2c(c1)OCCO2 84459699 ACELSMMHYIBRBJ-IBGZPJMESA-N 407.470 1.908 0 50 HDAA CC(C)(CNC(=O)C[C@H]1C(=O)NCCN1C/C=C/c1ccccc1)N1CCOCC1 95498020 GDSUQVRMVGVFOQ-ZGBFETHSSA-N 414.550 1.117 0 50 HDAA Cc1ccc(CNC(=O)Cn2c(=O)c(-c3noc(C)n3)c3n(c2=O)CCCC3)cc1 169763894 HPNCYFHFBVBTRK-UHFFFAOYSA-N 409.446 1.330 0 50 HDAA CNS(=O)(=O)N1CCN(C(=O)Nc2ccc(N3CCCC3)c(Cl)c2)CC1 253424724 KGJHIADKEXGTNG-UHFFFAOYSA-N 401.920 1.554 0 50 HDAA C[C@H]1CN(c2ccc(CNC(=O)Nc3ccn(Cc4ccncc4)n3)cn2)CCO1 438355318 MIAQMMZYTIUQNV-INIZCTEOSA-N 407.478 2.268 0 50 HDAA Cn1cc([C@@H](CO)NC(=O)CCCN2C(=O)c3cccc4cccc(c34)C2=O)cn1 481790043 AAKDBFLZXIPILX-GOSISDBHSA-N 406.442 1.799 0 50 HDAA CSCC(=O)N1C[C@H]2CN(c3cc(C)nc(-c4ccccc4O)n3)C[C@@]2(CO)C1 1772806496 YSYHRXDEAUCOAG-VFNWGFHPSA-N 414.531 1.778 0 50 HDAA COCCn1nnc([C@@H]2CN(C(=O)c3c[nH]nc3-c3cccc(F)c3)CCO2)n1 1857736671 WBBDIMNIDWOEKM-HNNXBMFYSA-N 401.402 1.062 0 50 HDAA CN(C)C(=O)C1(C(=O)N2CC3(CCN(C(=O)c4ncnc5sccc45)C3)C2)CC1 1875360886 NBUKFEDTJDZVDT-UHFFFAOYSA-N 413.503 1.234 0 50 HDAA O=C(NC[C@@H]1CC2(CCNCC2)C(=O)O1)[C@@H]1CCc2ncc(Br)n2C1 2325854159 QDWFGHVVSVYSPD-NEPJUHHUSA-N 411.300 1.010 0 50 HDAA CS(=O)(=O)N(CC(=O)N1CCOCC1)c1c(-c2ccccc2)nc2ccccn12 2356165478 BCCKCULEQIDMKU-UHFFFAOYSA-N 414.487 1.626 0 50 HDAA Cc1csc(NC(=O)CSc2nc(C(C)C)nc3c2c(=O)n(C)c(=O)n3C)n1 6529794 KBJUIEIYGDHCEY-UHFFFAOYSA-N 420.520 1.646 0 50 HDAA CC(C)CN1C[C@@H](OCc2cccc(F)c2)CN(C(=O)[C@H]2CNC(=O)C2)CC1=O 14536539 ZYKYNPHYNCMUIZ-SJLPKXTDSA-N 405.470 1.174 0 50 HDAA COc1cccc(CNCCCn2ccnc2)c1OC[C@H](O)CN1CCOCC1 23338735 HMBOYYOGFHMAEZ-LJQANCHMSA-N 404.511 1.144 0 50 HDAA Cc1cccc(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N(C)Cc3cnn(C)c3)[C@@H]4C2=O)c1 77487193 APPNFOZONHOVNA-GJPOJAMWSA-N 406.486 1.669 0 50 HDAA COc1ccc(CS(=O)(=O)CC(=O)O)cc1OS(=O)(=O)c1ccc(C)cc1 140306285 FUGNUQSWIFVNFD-UHFFFAOYSA-N 414.457 1.771 0 50 HDAA COc1ccccc1N1CCN(C(=O)CC[C@]2(CCC(=O)O)CCC(=O)N2)CC1 218591262 LHWFQTLJYQKKKE-NRFANRHFSA-N 403.479 1.638 0 50 HDAA Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)N1CCC[C@@H](NS(C)(=O)=O)C1 229520499 HHVGJPSPJQQSGT-DLBZAZTESA-N 419.551 1.830 0 50 HDAA O=C([C@H](Cc1ccccc1)N1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O)N1CCOCC1 239159519 MGLINBZIRDXIBI-JPSLMIEHSA-N 406.482 1.510 0 50 HDAA COc1ccc(CCNC(=O)[C@@H]2[C@H]3C=C[C@@]4(CN(c5cc(C)on5)C(=O)[C@H]24)O3)cc1 252346865 JGIGDUDPAKLIDQ-GZHDQSLTSA-N 409.442 1.637 0 50 HDAA O=C(NCCNS(=O)(=O)c1ccc(F)c(Cl)c1)c1cccc(-n2cccn2)n1 328589859 LJGMVLIRKPHAGT-UHFFFAOYSA-N 423.857 1.768 0 50 HDAA Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1NC(=O)Cc1cnc2c(C)cccn12 1506396339 RJJOYSFZVAIEMY-OAHLLOKOSA-N 401.492 1.997 0 50 HDAA O=C(CCCn1cncn1)N1CC[C@@H](O)[C@](CCCc2ccccc2)(C(=O)O)C1 1875247134 REQINZKOMOCGPH-WIYYLYMNSA-N 400.479 1.745 0 50 HDAA O=C(NCc1ccccc1-c1ccc(Cn2cccn2)cc1)C(=O)N[C@H]1CCNC1=O 1875326020 YAMWMIYBJZZIIS-FQEVSTJZSA-N 417.469 1.219 0 50 HDAA O=C1CN(CC(=O)N2C[C@H](c3ccc4c(c3)OCO4)O[C@H](c3ccccc3)C2)CCN1 2100557089 MOGXDFLQWVXIDM-LEWJYISDSA-N 423.469 1.488 0 50 HDAA O=c1oc2cccnc2n1CCN1CCCN(CCn2c(=O)oc3cccnc32)CC1 2325721770 YVHGCBZLEHHTJP-UHFFFAOYSA-N 424.461 1.000 0 50 HDAA CCc1onc(C)c1C(=O)NCC1[C@@H]2CN(C(=O)[C@@H]3CCC[C@@H](C(N)=O)C3)C[C@@H]12 2325823577 XZERENSYSZCJNN-VDERGJSUSA-N 402.495 1.271 0 50 HDAA O=C(NCc1nnc2n1CCN(C(=O)c1cccc(Cl)c1F)CC2)[C@@H]1CCOC1 11980378 WVBJFYWCIVPNKK-GFCCVEGCSA-N 421.860 1.422 0 50 HDAA COCCN1C(=O)N(C)C(=O)C12CCN(C[C@@H](C)Cc1ccc3c(c1)OCO3)CC2 14740574 WNHVTACXKOLKQR-INIZCTEOSA-N 417.506 1.969 0 50 HDAA O=C(N[C@H]1C[C@H]2C(=O)N[C@H](Cc3ccccc3)C(=O)N2C1)c1cc(F)c(F)cc1F 14752934 STDKVYFIULKECI-RZAIGCCYSA-N 417.387 1.544 0 50 HDAA COc1ccccc1CCCNC(=O)[C@@H]1CCC(=O)N(CCN2CCOCC2)C1 20406296 JIOAYGRCAIZHGU-LJQANCHMSA-N 403.523 1.315 0 50 HDAA CC(C)(C)NC(=O)CN1CCN(S(=O)(=O)Cc2cc(F)ccc2Cl)CC1 952974208 QPBZBMXAVMOWRW-UHFFFAOYSA-N 405.923 1.841 0 50 HDAA O=C1CC[C@@H](N2Cc3ccc(-n4cc(COc5ccccc5)nn4)cc3C2=O)C(=O)N1 1875356723 VSJQJYYODIQELY-LJQANCHMSA-N 417.425 1.607 0 50 HDAA COc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@@H]3CCCO3)CC2)cc1OC 1157468 DDAWUHFUQDDYER-HNNXBMFYSA-N 412.508 1.400 0 50 HDAA CC[C@H](C)NC(=O)c1ccccc1NC(=O)C1CCN(S(=O)(=O)N(C)C)CC1 10433834 GQOIPSUAESPBCH-AWEZNQCLSA-N 410.540 1.672 0 50 HDAA CC(C)C[C@H](NC(=O)CN(C)C)c1nnc2n1CCN(C(=O)C1=CCCC1)CC2 11787835 MUXPBLDGLVJKAX-KRWDZBQOSA-N 402.543 1.538 0 50 HDAA CC(C)CN1C[C@@H](OCc2cccc(F)c2)CN(C(=O)[C@@H]2CCC(=O)N2)CC1=O 14755143 AOELNNOBQOHNGW-MSOLQXFVSA-N 405.470 1.316 0 50 HDAA COc1cccc(CN(C)CCN2CCCC2)c1OC[C@@H](O)CN1CCOCC1 39421074 RJRGAQGCYJEOHP-FQEVSTJZSA-N 407.555 1.295 0 50 HDAA COc1ccc(C(=O)N2CC[C@H](N3CCN(C)CC3)[C@H](CCC(=O)O)C2)c(C)c1 95385245 YYAYJVSSMZQQAN-XLIONFOSSA-N 403.523 1.947 0 50 HDAA O=C(Cc1cccc(F)c1)NC[C@@H]1CN(C2CCN(C3CCC3)CC2)C(=O)CO1 299763299 YXSTWZQCEKVWFT-HXUWFJFHSA-N 403.498 1.729 0 50 HDAA CNC(=O)[C@H]1Cc2ccccc2CN1C(=O)CC[C@@H]1NC(=O)N(c2ccccc2)C1=O 409415042 RWRFPYOBHXNKLK-RBUKOAKNSA-N 420.469 1.591 0 50 HDAA CN(c1ccc(C(=O)COC(=O)c2nnc(O)c3ccccc23)cc1)S(C)(=O)=O 745884793 DNGZQRPMONZNCW-UHFFFAOYSA-N 415.427 1.771 0 50 HDAA COC[C@@H]1CCCN(S(=O)(=O)N2CCC3(CC2)Nc2ccccc2NC3=O)C1 1506423437 WGWXWNNHNNEEGV-OAHLLOKOSA-N 408.524 1.488 0 50 HDAA CNC(=O)CN(CCN(C)C1CCCC1)S(=O)(=O)c1cccc2c1OCCO2 1857527094 FVWFCVXWMKGNBT-UHFFFAOYSA-N 411.524 1.069 0 50 HDAA COc1cccc(CN2CCC3(CC2)CNC(=O)CCO3)c1OCCn1ccnc1 1857705952 CDWGQJIPBOQNSJ-UHFFFAOYSA-N 414.506 1.842 0 50 HDAA O=C(Cc1ccc(Cl)cc1)NCC[C@@H]1COCCN1C(=O)c1ncc[nH]c1=O 1857711383 WMIMGJVIENIUKV-OAHLLOKOSA-N 404.854 1.013 0 50 HDAA Cc1nc(O)c2c(n1)C1(CC2)CCN(C(=O)[C@@H]2CC(=O)N(c3nccs3)C2)CC1 1857732862 KVEAZDNFKWVGMH-CYBMUJFWSA-N 413.503 1.807 0 50 HDAA Cc1nn(CC2CC2)c(C)c1S(=O)(=O)N1CCC[C@H](CNC(=O)C(F)(F)F)C1 1875259964 INZAHMUNMHQWKM-CQSZACIVSA-N 422.473 1.989 0 50 HDAA O=C1CC[C@@H](N2Cc3ccc(C(=O)Nc4cccc(C(=O)O)c4)cc3C2=O)C(=O)N1 2325896435 YLKWKANQGYDVFP-MRXNPFEDSA-N 407.382 1.398 0 50 HDAA CCOC(=O)c1nnn(-c2nonc2N)c1CSc1nc2cc(OC)ccc2[nH]1 2190034 ZUNJAXJKPNSWTM-UHFFFAOYSA-N 416.423 1.586 0 50 HDAA CCOC(=O)C1CCN(Cc2cccc(OC[C@H](O)CN3CCOCC3)c2)CC1 11813897 DXUVCECOKZYWPV-HXUWFJFHSA-N 406.523 1.534 0 50 HDAA O=C(NCCCN1CCOCC1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 20567913 XJCCRZVPHKWHCO-UHFFFAOYSA-N 403.504 1.940 0 50 HDAA COc1cccc(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N(C)Cc3cc(C)no3)[C@H]4C2=O)c1 77421424 ZMNYCELQMDIITC-SRYPRDQNSA-N 423.469 1.932 0 50 HDAA O=C(NCCN1CCCCC1)c1cccc(S(=O)(=O)NCc2cccnc2)c1 95373142 CEAWUBYZJOWJPJ-UHFFFAOYSA-N 402.520 1.776 0 50 HDAA Cc1ccc(S(=O)(=O)N2C[C@H](O)C[C@@H]2C(=O)Nc2ccc(C(=O)O)cc2)cc1 139148363 DMIQUECZNRBEEE-NVXWUHKLSA-N 404.444 1.456 0 50 HDAA O=c1n(-c2ccccc2)c(=O)n2n1[C@H]1[C@H]3[C@@H]4[C@H]5[C@]16CN(Cc1ccccc1)C[C@]56[C@@H]2[C@@H]34 253616570 CMWPJGHOYGAVMB-XNNORVAKSA-N 410.477 1.904 0 50 HDAA Cc1nc(S(=O)(=O)NCC(=O)N2CCn3c(cc4ccc(Cl)cc43)C2)cn1C 470424043 CQCYDRREZLCKIZ-UHFFFAOYSA-N 421.910 1.657 0 50 HDAA O=C1C[C@H](C(=O)N2CCN(Cc3ccccc3CO)CC2)CN1Cc1ccncc1 952860408 OZAIZIBCFMMALT-NRFANRHFSA-N 408.502 1.267 0 50 HDAA CN([C@H]1CCN(Cc2ccccc2)C1=O)S(=O)(=O)c1ccc2nc(O)oc2c1 1211769508 WBCCTMYWAFTIFD-INIZCTEOSA-N 401.444 1.955 0 50 HDAA COc1ccccc1CN1C[C@@H](C(=O)Nc2nnc(CCN(C)C)s2)CC1=O 1506398257 ATRJZJKCWYZJQP-AWEZNQCLSA-N 403.508 1.638 0 50 HDAA Cn1ccnc1CN1C[C@H]2CN(Cc3nn(C)c4cccc(Cl)c34)C[C@]2(CO)C1 1772700636 FNFRMBCAPRXPGV-QVKFZJNVSA-N 414.941 1.887 0 50 HDAA Cc1cccc(-n2nnnc2S[C@@H](C)C(=O)N2CCC(CO)(CN(C)C)CC2)c1 1772704955 VJINJNNPORWKCH-INIZCTEOSA-N 418.567 1.614 0 50 HDAA CN1CCC[C@@]2(C(=O)NCCc3cscn3)CCN(C(=O)c3cc[nH]c3)C[C@H]12 1775977729 LFAIABVWOUFXGQ-FXAWDEMLSA-N 401.536 1.757 0 50 HDAA O=C(C[C@H]1CCCN(c2nc3ncccc3o2)C1)N1C[C@H]2C[C@H](O)[C@H](O)C[C@H]2C1 1857726355 NDCKMKFDKHGOFG-UHDSXZAQSA-N 400.479 1.420 0 50 HDAA Cc1nc(C)c(C(=O)N2CCC3(CCc4c(O)nc(N5CCOCC5)nc43)CC2)o1 1857738601 PLOYWSDFAWBZLH-UHFFFAOYSA-N 413.478 1.744 0 50 HDAA COc1ccc(C(=O)N2CC[C@H](O)[C@@](CO)(Cc3ccc(F)cc3)C2)c(OC)n1 1857739169 LCVJEUSLERFFBP-UWJYYQICSA-N 404.438 1.666 0 50 HDAA Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)N2CC[C@]3(CCC(=O)N3)C2)cc1 1875345128 SIYDLKHLKNESPF-FXAWDEMLSA-N 405.520 1.419 0 50 HDAA COc1ccc(Br)cc1CC(=O)Nc1cnc(N2CCNCC2)nc1 2325854348 YUTRIWCKODBRQD-UHFFFAOYSA-N 406.284 1.839 0 50 HDAA COc1ccc(S(=O)(=O)N(CC(=O)N2CCOCC2)c2ccccc2)cc1OC 798465 QFQBJEAGATVRFA-UHFFFAOYSA-N 420.487 1.758 0 50 HDAA COc1ccc(CNC(=O)c2nc(CS(=O)(=O)c3ccccc3)no2)cc1OC 4742677 UATGADPNKVHMFQ-UHFFFAOYSA-N 417.443 1.991 0 50 HDAA CC(=O)N1CCC(C(=O)N2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)CC1 6699841 YQCXVEVHPHGPCS-UHFFFAOYSA-N 407.536 1.395 0 50 HDAA CCN1CCN(C[C@@H](O)COc2ccc(CNCCOC(C)C)cc2OC)CC1 20206206 KORQQKPCTIPUHT-HXUWFJFHSA-N 409.571 1.587 0 50 HDAA O=C(C[C@@H]1C(=O)NCCN1Cc1cccnc1)NCCCn1ncc2ccccc21 55309118 GRHLRIVLJSGVEV-HXUWFJFHSA-N 406.490 1.328 0 50 HDAA CN(Cc1ccno1)C(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(CCOc4ccccc4)C(=O)[C@H]13)O2 77386079 NSJVWNWRHNFDKE-OZIGNCPNSA-N 409.442 1.494 0 50 HDAA CCS(=O)(=O)N1CCc2ccc(S(=O)(=O)N3CCC[C@@H]3COC)cc2C1 77454045 SSOUEPUSGPNDFB-MRXNPFEDSA-N 402.538 1.194 0 50 HDAA CCN1CCN(C(=O)[C@H]2[C@@H]3C=C[C@@]4(CN(C5CCCCCC5)C(=O)[C@H]24)O3)CC1=O 77505039 PEORKYMLNHPCAO-FUOQNJDISA-N 401.507 1.182 0 50 HDAA COc1cccc(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N3CCc5n[nH]cc5C3)[C@@H]4C2=O)c1 77518935 BBBLVARIVVOJBQ-GJPOJAMWSA-N 420.469 1.285 0 50 HDAA O=c1[nH]c(NC[C@H]2CN(c3nncs3)CCO2)nc2c1cnn2-c1ccccc1 225648335 QJBOPAHKRPSYPJ-ZDUSSCGKSA-N 410.463 1.278 0 50 HDAA Cc1c(NCC2CCN(S(C)(=O)=O)CC2)nn2c(C(F)(F)F)nnc2c1C 301739723 KABTWQKZZKLKJM-UHFFFAOYSA-N 406.434 1.843 0 50 HDAA O=C(c1cccc2c1OCO2)N1CCC[C@H](n2ncc(N3CC[C@H](O)C3)cc2=O)C1 328605023 LZMDXSWDXXKKEA-HOCLYGCPSA-N 412.446 1.020 0 50 HDAA CCc1ccc(CN2C[C@H]3CN(C(=O)Cc4c(O)n[nH]c4C)C[C@]3(CO)C2)s1 1772811951 CCOWSJPRFAEQQP-XOBRGWDASA-N 404.536 1.543 0 50 HDAA COc1cc(CN2C[C@@H]3[C@H](CNC(=O)c4nsnc4C)[C@H]4CC[C@]3(C2)O4)ccn1 1857733869 CISHXXOKINZMOP-QCBUCWTNSA-N 415.519 1.660 0 50 HDAA CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)Cc1csc(-c2ccccc2)n1 1875243280 ZKKJGQCSSDORNK-GOEBONIOSA-N 409.533 1.375 0 50 HDAA Cc1ccc(OCC(=O)NS(=O)(=O)c2ccc(C(N)=O)cc2)c2c1[C@H](C)CC2=O 2325702841 MTEKWEGGLGFQPW-GFCCVEGCSA-N 416.455 1.668 0 50 HDAA CS(=O)(=O)NCCN1C(=O)NC[C@]12CCN1CCc3c(oc4ccccc34)[C@@H]1C2 6019455 GTBKISRCRQUFNL-OXJNMPFZSA-N 418.519 1.439 0 50 HDAA O=C(NCCN1CCNC1=O)c1ccc(OC2CCN(Cc3ccccn3)CC2)cc1 12448926 NGOUDXNNRPERQI-UHFFFAOYSA-N 423.517 1.880 0 50 HDAA COc1ccc(CC2=NO[C@@H](C(=O)NC[C@@H](c3cccnc3)N3CCOCC3)C2)cc1 19838888 VQTKVXPZZKDVSU-FCHUYYIVSA-N 424.501 1.967 0 50 HDAA CCc1c(C(=O)NCCCN2CCOCC2)c(=O)cc(C)n1CCN1CCCCC1 20119363 VLFMACXGMZRMKQ-UHFFFAOYSA-N 418.582 1.657 0 50 HDAA CCOC(=O)c1ccc(NC(=O)Cn2c(=O)c3c(C)cc(C)nc3n(C)c2=O)cc1 20168936 SIMAZFKYRGMFMY-UHFFFAOYSA-N 410.430 1.527 0 50 HDAA CN(Cc1nc(Cc2cccc(C(F)(F)F)c2)no1)[C@@H]1CS(=O)(=O)C[C@H]1O 20600086 NWPOQLXLSPQPDW-CHWSQXEVSA-N 405.398 1.269 0 50 HDAA CN(c1cccc(C(=O)NCCN2CCOCC2)c1)S(=O)(=O)c1ccccc1 67338912 HMLUCWFDUYMXIQ-UHFFFAOYSA-N 403.504 1.574 0 50 HDAA COc1ccc(Cl)cc1C(=O)N1CCN(c2ccnc(N3CCOCC3)n2)CC1 72441572 JBFWEQQTXXHRLV-UHFFFAOYSA-N 417.897 1.938 0 50 HDAA N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC2(CC1)CN(CCOc1ccccc1)C(=O)O2 77354333 HINKDSOOZNSFIW-SFHVURJKSA-N 413.478 1.172 0 50 HDAA CCCC[C@H]1C(=O)NCCN1CC1=C(C(=O)OCC)[C@@H](c2ccccc2)NC(=O)N1 229428480 QCDJQIXFHILRHD-PKOBYXMFSA-N 414.506 1.848 0 50 HDAA CC(=O)N[C@@H]1[C@H](OCc2ccccc2)O[C@H](CO)[C@@H](O)[C@@H]1OCc1ccccc1 253387591 IYODMICTBRMKGJ-PVIWCNJMSA-N 401.459 1.371 0 50 HDAA in-vitro COC(=O)c1cn(Cc2nc(-c3ccc(OC)c(OC)c3)no2)cc2c(=O)[nH]nc1-2 263587659 JQOYXTCJTREWJJ-UHFFFAOYSA-N 411.374 1.578 0 50 HDAA O=C1O[C@H](C(=O)N2CCN(Cc3nnnn3-c3ccccc3)CC2)Cc2ccccc21 730776944 VFEHSQNQQIIFQY-IBGZPJMESA-N 418.457 1.088 0 50 HDAA CC(=O)N1C[C@H](C(=O)N2CCC(S(=O)(=O)N3CCCC3)CC2)Oc2ccccc21 800655520 XZANXOAZTOHYFD-LJQANCHMSA-N 421.519 1.217 0 50 HDAA O=C(N1CC[C@](c2nc(-c3cccc(F)c3)no2)(C(F)(F)F)C1)C1(CO)COC1 952892493 HQQQDYIZLMJWOD-KRWDZBQOSA-N 415.343 1.917 0 50 HDAA CO[C@@H]1CC[C@H](C(=O)N2CCc3nc(C)[nH]c3C2)C[C@H]1NC(=O)c1cccc(O)n1 1857682070 HDZCEVGHHYVZJB-FDQGKXFDSA-N 413.478 1.317 0 50 HDAA CCCCc1nc(C)cc(=NCCNC(=O)[C@@H]2CC(=O)N(c3nccs3)C2)[nH]1 1857720691 FQXBYCVGMDSIBK-CQSZACIVSA-N 402.524 1.587 0 50 HDAA Cc1nn(C)c(C)c1[C@@H]1COCCN1C(=O)C(=O)N[C@H]1[C@@H]2c3ccccc3CC[C@H]21 1875259529 BIMVASBNQKRWFI-KOUHRCEDSA-N 408.502 1.781 0 50 HDAA NC(=O)NCCNC(=O)c1ccc(Cn2cc(COc3cccc(O)c3)nn2)cc1 2325863708 UMNSWNSILIAMOH-UHFFFAOYSA-N 410.434 1.009 0 50 HDAA O=C(N[C@@H]1C[C@H]1NC(=O)c1cc2c(nn1)CCOC2)c1cccc(-n2cccc2)c1 2325872331 SAKCEJURTJNAND-RTBURBONSA-N 403.442 1.641 0 50 HDAA Cc1c(NC(=S)NC(=O)c2c(Cl)cnn2C)c(=O)n(-c2ccccc2)n1C 2795132 NUYYYNZHNNUGGU-UHFFFAOYSA-N 404.883 1.998 0 50 HDAA COCCNC(=O)c1ccccc1NC(=O)CN(c1cccc(F)c1)S(C)(=O)=O 2854113 VVAVVCNAEMEJKG-UHFFFAOYSA-N 423.466 1.607 0 50 HDAA CC(=O)Nc1ccc(NC(=O)CN(c2ccc3c(c2)OCO3)S(C)(=O)=O)cc1 2882121 ZBFAWSIEWOQJER-UHFFFAOYSA-N 405.432 1.778 0 50 HDAA Cc1nccn1CCNC(=O)C[C@@H]1C(=O)NCCN1Cc1c(F)cccc1Cl 12303122 LPXHVIRCPLMBSN-QGZVFWFLSA-N 407.877 1.491 0 50 HDAA CCOC(=O)c1nn(Cc2ccccn2)c2c1CN(C(=O)c1cc(CC)nn1C)CC2 14741360 LSLGXNORTKALOI-UHFFFAOYSA-N 422.489 1.998 0 50 HDAA O=C1CC[C@@H](C(=O)N2CCOc3ccccc3C2)CN1CCCN1CCOCC1 20780771 QXQFYWKHBGYRGO-LJQANCHMSA-N 401.507 1.369 0 50 HDAA O=C(C[C@H]1C(=O)NCCN1Cc1cccc(F)c1)NCCCCCN1CCOCC1 20996789 VAEHWVYETIOGIZ-FQEVSTJZSA-N 420.529 1.135 0 50 HDAA O=C([C@@H]1CCCN(C2CCN(c3nnnn3-c3ccccc3)CC2)C1)N1CCCC1 71754330 QVFRJLZVUQLIBV-GOSISDBHSA-N 409.538 1.966 0 50 HDAA Cc1cccc(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N(C)Cc3nccn3C)[C@@H]4C2=O)c1 77436838 BWOQXIQUBPDFET-YPIYEQTHSA-N 406.486 1.669 0 50 HDAA O=C(NCCN1CCS(=O)(=O)CC1)C1(c2ccccc2Br)CC1 476005898 SNWMTHBTRJWLGI-UHFFFAOYSA-N 401.326 1.327 0 50 HDAA Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1NC(=O)c1ccc2c(=O)n(C)cnc2c1 1529158369 BDOXJGRKCGKRNI-AWEZNQCLSA-N 415.475 1.359 0 50 HDAA Nc1ncc2c(n1)[C@]1(CCCN(C(=O)c3ccccc3N3CCC(=O)NC3=O)C1)CC2 1704338502 UBQAVYQTHUQNHB-JOCHJYFZSA-N 420.473 1.625 0 50 HDAA NC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCC(=O)N2CCCCC2)CC1 1750395029 IFVYUILMGZWKGO-QGZVFWFLSA-N 418.542 1.276 0 50 HDAA COc1ccc(OCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCOCC2)cc1 1768752914 HXKKKYZYTQHDMB-HNNXBMFYSA-N 422.507 1.104 0 50 HDAA O=C(N[C@H]1CCC[C@H]2CN(C(=O)C3CCOCC3)C[C@@H]12)c1n[nH]c2c1COCC2 1857676169 PIVBPFQEAIJWAD-UXLLHSPISA-N 402.495 1.266 0 50 HDAA CC1CCN(CC(=O)N2CCC[C@@]3(CN(Cc4ccccn4)CC[C@H]3O)C2)CC1 1857691053 YEFKEEHEGLWKRV-FYYLOGMGSA-N 400.567 1.989 0 50 HDAA Cn1ncc2c(N)nc(N3CCC4(CC3)OCCc3cc(C(=O)O)sc34)nc21 1857696214 RLJRTLMHTLPIPQ-UHFFFAOYSA-N 400.464 1.774 0 50 HDAA O=C(C[C@@H]1CC1(F)F)N1CCC2(CCc3c(O)nc(N4CCOCC4)nc32)CC1 1857716068 VEOBHEIFZQMBKX-CYBMUJFWSA-N 408.449 1.871 0 50 HDAA O=C1CCCCCN1CCC(=O)N1CC[C@H](O)[C@@](CO)(Cc2ccc(F)cc2)C1 1857721894 KYSBEKGIZBWVJP-UGKGYDQZSA-N 406.498 1.733 0 50 HDAA CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)NCCc1ccc(C(F)(F)F)cn1 1875252293 RYCASENTEYTREV-AWEZNQCLSA-N 408.446 1.756 0 50 HDAA NC(=O)c1cncc(C(=O)NC2CC3(CCCN(C(=O)[C@@H]4C(F)(F)C45CC5)C3)C2)c1 1875317086 OOJWXWPRSUHHKU-HVEKOLDVSA-N 418.444 1.727 0 50 HDAA O=C(Cn1cncn1)NC[C@H]1COCCN1C(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1 1875327780 LCDADNBVEBJDDD-YESZJQIVSA-N 403.870 1.079 0 50 HDAA O=S1(=O)CCN(Cc2cccc(-c3nc(-c4n[nH]c(C5CC5)n4)no3)c2)CC1 1875328251 IBOIOTGDKFWCBU-UHFFFAOYSA-N 400.464 1.630 0 50 HDAA Cn1cc(-c2nc([C@H]3COCCN3S(=O)(=O)Cc3cc(C4CC4)on3)no2)cn1 1875345582 BZSBPOBHGBMHGI-CQSZACIVSA-N 420.451 1.239 0 50 HDAA COc1cc(OC)cc(C(=O)NC[C@@H]2CCCN(S(=O)(=O)c3cccnc3)C2)c1 11821370 QKRXLYISHVHBHE-HNNXBMFYSA-N 419.503 1.930 0 50 HDAA CO[C@H]1CN(CCCN2CCCC2=O)C(=O)CN(C(=O)Cc2cccc(Cl)c2)C1 14542637 IYSGCOPAVCIRJP-SFHVURJKSA-N 421.925 1.581 0 50 HDAA COc1ccc(C(=O)NCCc2nnc3n2CCN(Cc2cccnc2)CC3)cc1 14973943 DHFAMXNXQBGTNJ-UHFFFAOYSA-N 406.490 1.713 0 50 HDAA Cc1nc(N2CCCCC2)ncc1-c1ccnc2nc(N3CCOCC3)[nH]c(=O)c12 30874318 FOZBODYCKDFINM-UHFFFAOYSA-N 407.478 1.910 0 50 HDAA COC(=O)c1cn(-c2ccc(N3CCCS3(=O)=O)c(OC)c2)cc2c(=O)[nH]nc1-2 253409237 LOUQYRBUPSXKLQ-UHFFFAOYSA-N 418.431 1.001 0 50 HDAA COC(=O)c1cnc(O)c([C@@H](CC(N)=O)c2cc3ccc(OC)cc3nc2O)c1O 253623687 GRZLHOZHXDOFGG-NSHDSACASA-N 413.386 1.549 0 50 HDAA biogenic NC(=O)c1cc(C(=O)OCc2n[nH]c(Cc3ccccc3Br)n2)c[nH]1 760302861 SOXJVRXHQSGDPH-UHFFFAOYSA-N 404.224 1.942 0 50 HDAA CNC(=O)c1cc(OC)c(OC)cc1NC(=O)CNC(=O)c1ccc2c(c1)OCO2 763911326 KNKOHVDTJJHCAW-UHFFFAOYSA-N 415.402 1.161 0 50 HDAA Cc1ccc(N2CCOCC2)cc1N[C@H](C)C(=O)N1CCN(c2ncccn2)CC1 797425721 TVZSVINAHHSIDZ-GOSISDBHSA-N 410.522 1.771 0 50 HDAA O=C(O)COc1ccc(-c2ccc3c(c2)OCO3)cc1CN[C@@H]1CCS(=O)(=O)C1 1506412781 FBLUZOZYEGXBHC-MRXNPFEDSA-N 419.455 1.822 0 50 HDAA Nc1ncc(CN2C[C@H]3CN(CCOc4ccc(Cl)cc4)C[C@@]3(CO)C2)cn1 1772807237 SIOKPMHJVGAOIO-UZLBHIALSA-N 403.914 1.517 0 50 HDAA O=C(CN1CCCC2=C[C@H]3C[C@@H](CN4CCCC[C@H]34)[C@@H]21)N[C@H]1CCS(=O)(=O)C1 1775973975 TVMUGKQFAKHSJQ-VDRZXAFZSA-N 407.580 1.185 0 50 HDAA CCN1CC[C@@H]2C[C@@H](N3CCOCC3)CC[C@@]2(C(=O)NCCn2ccc(C)n2)C1 1857689354 OBAJIJYLQAYESD-RZUBCFFCSA-N 403.571 1.521 0 50 HDAA Cc1nc2ncnn2c(C)c1CCC(=O)N1CC[C@@]23OC[C@@H](C(C)C)N2C(=O)C[C@@H]13 1857718714 PWUNSLUCQKYLML-FVJLSDCUSA-N 412.494 1.258 0 50 HDAA c1cc(CN2CCN3[C@@H](C4CC4)COC[C@H]3C2)cc(OCCN2CCOCC2)c1 1875245761 PIULMFKIJDGUOZ-FYYLOGMGSA-N 401.551 1.693 0 50 HDAA Cc1ccc(C(=O)N2CC3(CCOCC3)C[C@@H]2CNC(=O)c2cnnc(O)c2)cc1 1875358753 JBFVBTYZXQLZFC-GOSISDBHSA-N 410.474 1.932 0 50 HDAA O=C(C1CCN(c2nc3ccc(Cl)cc3o2)CC1)N1CCO[C@H](c2nn[nH]n2)C1 2100539687 UENVBNGOODOEHW-HNNXBMFYSA-N 417.857 1.811 0 50 HDAA C=CC(=O)N1CCC[C@H](C(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)C1 2325889606 YPFQNMYKYDBKBP-HNNXBMFYSA-N 409.483 1.083 0 50 HDAA CCOc1cccc(N2C(=O)C[C@@H](NCCc3ccc(S(N)(=O)=O)cc3)C2=O)c1 4019245 IQSKZGFWDYJBGE-GOSISDBHSA-N 417.487 1.197 0 50 HDAA CC(=O)N1c2ccc(S(=O)(=O)NCCC(=O)Nc3ccc(C)cn3)cc2C[C@H]1C 15935484 XYBKWYFIVKARML-CQSZACIVSA-N 416.503 1.995 0 50 HDAA CN(CCc1ccccn1)C(=O)CC[C@H]1CCCN(C(=O)CN2CCOC2=O)C1 20205971 HXIHPJBMTVBCAC-QGZVFWFLSA-N 402.495 1.554 0 50 HDAA COc1nc(C)nc(N(C)C(=O)NS(=O)(=O)Nc2nc(Cl)ccc2Cl)n1 22780283 FFPVVYYXNMPRTG-UHFFFAOYSA-N 422.254 1.393 0 50 HDAA O=C(c1cc2ccccc2oc1=O)N1CCN(c2cc(-n3cccn3)ncn2)CC1 67604852 YUEDSQNAMUFMKP-UHFFFAOYSA-N 402.414 1.731 0 50 HDAA CC[C@H](C(=O)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)COC)n1cccn1 95507473 MCEIWUVBCUGGJS-MRXNPFEDSA-N 400.483 1.106 0 50 HDAA Cc1nonc1CC(=O)N1CCC[C@@H](CNC(=O)c2ccc3c(c2)OCCO3)C1 952974397 INZBVEHQRFXMJN-AWEZNQCLSA-N 400.435 1.360 0 50 HDAA COCCN1C[C@@H](C(=O)Nc2cc3nc(O)[nH]c3cc2N2CCCC2)CCC1=O 1506397158 ZVUSMZLAERAUNJ-ZDUSSCGKSA-N 401.467 1.692 0 50 HDAA CCOc1cc(C)c(Cl)cc1S(=O)(=O)N1CCC(NS(C)(=O)=O)CC1 1506404778 AJCMELWYMGVEPN-UHFFFAOYSA-N 410.945 1.749 0 50 HDAA O=C1NC[C@H]2CCN(C2)C(=O)CCCc2cn(nn2)CCOc2ccc(F)cc21 1704318557 OFGLZPBNRZYILO-CQSZACIVSA-N 401.442 1.411 0 50 HDAA CC(C)C[C@H](CO)NC(=O)C[C@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O 1772492639 PLHWNPJRZZHBOW-CRAIPNDOSA-N 400.479 1.544 0 50 HDAA CCCCN1C[C@@H]2CN(C(=O)c3ccc(N(C)S(C)(=O)=O)cc3)C[C@@]2(CO)C1 1772812808 QWLFSNQNCXUMJE-YLJYHZDGSA-N 409.552 1.249 0 50 HDAA COCCN(C)C[C@@H]1COCCN(C(=O)Cn2c(C)cc(=O)c3ccccc32)C1 1857668518 XRQXMYMUJRUYFN-SFHVURJKSA-N 401.507 1.363 0 50 HDAA Cc1cc(C)c2c(CC(=O)N3C[C@@H](O)[C@H](CS(=O)(=O)N(C)C)C3)coc2c1C 1857720739 HQERLNMUDBNKCK-DLBZAZTESA-N 408.520 1.611 0 50 HDAA CC(C)(C)[C@]1(CNC(=O)CCCNC(N)=O)CCN(C(=O)C2SCCS2)C1 1875347219 KYKYJSMDLUPUKB-SFHVURJKSA-N 416.613 1.622 0 50 HDAA O=C(c1cc(O)ncn1)N1CC[C@H]([C@H]2CCCN2C(=O)c2ccc3nn[nH]c3c2)C1 1875360621 JULGCVLSRGXDCX-SUMWQHHRSA-N 407.434 1.220 0 50 HDAA O=C1CC[C@@H](N2Cc3ccc(CNC(=O)OCC45CC(F)(C4)C5)cc3C2=O)C(=O)N1 2325901011 QKNDVFNRNSXBRW-TVRCVXMWSA-N 415.421 1.566 0 50 HDAA CN1CCN(S(=O)(=O)N2CCC3(CC2)OCCc2c3[nH]c3ccccc23)CC1 2356158468 LHFTWVWDDMPMAC-UHFFFAOYSA-N 404.536 1.524 0 50 HDAA CS(=O)(=O)N1CCC(C(=O)Nc2ccc(I)cc2)CC1 1144116 VDKZGFMAPOFUBV-UHFFFAOYSA-N 408.261 1.901 0 50 HDAA NC(=O)C1(N2CCCCC2)CCN([C@H]2CC(=O)N(c3cccc(Cl)c3)C2=O)CC1 1246678 MTXMMRNMKNDOQH-KRWDZBQOSA-N 418.925 1.778 0 50 HDAA NS(=O)(=O)c1ccc2nc(NC(=O)CN3C(=O)c4ccccc4C3=O)sc2c1 2694804 JWPCYPMANGFNHU-UHFFFAOYSA-N 416.440 1.178 0 50 HDAA O=C(C1CCN(S(=O)(=O)c2ccccc2)CC1)N1N=CC[C@@]1(O)C(F)(F)F 6829616 SIIZDQLCTREHRJ-OAHLLOKOSA-N 405.398 1.556 0 50 HDAA COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)N(C)Cc2nc(C)c[nH]2)c(C)c1C 11819714 SUVRMOQGIJPXCZ-GOSISDBHSA-N 413.522 1.693 0 50 HDAA CCN1CCN(C[C@H](O)COc2ccc(CNCCOC(C)C)cc2OC)CC1 20206210 KORQQKPCTIPUHT-FQEVSTJZSA-N 409.571 1.587 0 50 HDAA CCN1CCN(C(=O)CCNS(=O)(=O)c2ccc(Br)cc2)CC1 20556325 QPVNCBICCJCXSR-UHFFFAOYSA-N 404.330 1.282 0 50 HDAA O=C(N[C@H]1CCNC1=O)C1CCN(c2nc(-c3ccccc3)nc3c2CCC3)CC1 67947945 LPPZEDQCYJENHW-IBGZPJMESA-N 405.502 1.853 0 50 HDAA CN1CCN2c3ccccc3C[C@@]3(C(=O)NC(=O)N(Cc4ccc(F)cc4)C3=O)[C@H]2C1 245325995 IMAIZNBJZMIBAU-XXBNENTESA-N 422.460 1.767 0 50 HDAA COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)N[C@H](C)C(C)(C)CN(C)C)c1 443887037 FYVNEEUQHLAYOE-GFCCVEGCSA-N 400.497 1.514 0 50 HDAA C[C@]1(NC(=O)NCc2cc(C(N)=O)co2)CCN(C(=O)OCc2ccccc2)C1 793166625 AOUHFPCPVNNLJX-FQEVSTJZSA-N 400.435 1.979 0 50 HDAA Cc1ccc(N(CC(=O)Nc2ccc(Oc3nn[nH]n3)cc2)S(C)(=O)=O)cc1 952972846 WWSIOCZVLSVZTA-UHFFFAOYSA-N 402.436 1.705 0 50 HDAA CCN1Cc2nc(OC)c(CNC(=O)CN3CCOc4ccccc4C3)cc2C1=O 952978207 KQAMMPUQBGUXNW-UHFFFAOYSA-N 410.474 1.577 0 50 HDAA CN(C)S(=O)(=O)Nc1ccc(S(=O)(=O)N2CCC[C@]3(CCC[C@H]3O)C2)cc1 1704342721 CHFYPIMQUNYKAL-IAGOWNOFSA-N 417.553 1.221 0 50 HDAA CN1CC[C@]2(C(=O)NCCCO)CCCN(C(=O)c3ccn(C(C)(C)C)c3)[C@H]2C1 1775977411 IXVHOSXZMJMILF-PGRDOPGGSA-N 404.555 1.668 0 50 HDAA COc1ccc(C(=O)N2C[C@@H]3CN(C(=O)Cn4nc5ccccc5n4)CC[C@@H]32)cn1 1775981304 CVGNUTPXTJSORS-YJBOKZPZSA-N 406.446 1.208 0 50 HDAA Cc1cc(C(=O)N[C@@H]2C[C@@H](C(=O)NCc3ccc4c(c3)OCO4)CC[C@H]2O)no1 1857686959 KYFLZKZQTOPLKJ-SQWLQELKSA-N 401.419 1.288 0 50 HDAA CC[C@H]1[C@@H](C(=O)N(C)CC)C[C@H]2CN(C(=O)c3cccc4c3CCC4=O)CC(=O)N21 1857741259 KTGUYCQVQKRUOB-JVPBZIDWSA-N 411.502 1.745 0 50 HDAA O=C(O)CN1CCN(C(=O)c2ccc(Cn3cc(-c4nccs4)nn3)cc2)CC1 1875327543 YRJUWMWJGXCVFM-UHFFFAOYSA-N 412.475 1.292 0 50 HDAA O=C1CC[C@H](N2Cc3cc(NS(=O)(=O)c4cccc(F)c4)ccc3C2=O)C(=O)N1 2325897593 ZXWWJILBNJGFDA-INIZCTEOSA-N 417.418 1.388 0 50 HDAA COC(=O)[C@@H](C)Sc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1Cl 629020 RMQHHRQWHAXVBH-SNVBAGLBSA-N 422.894 1.789 0 50 HDAA Cc1ccc(OC[C@H]2C[C@@H](C(=O)NCCN3CCOCC3)CN(CC(C)C)C2)cn1 14749142 HNCONSIRVSPFSD-LEWJYISDSA-N 418.582 1.811 0 50 HDAA COCc1nnc(NC(=O)CCC(=O)N2CCN(c3ccc(F)cc3)CC2)s1 40267758 SLVFVQOUXMODSG-UHFFFAOYSA-N 407.471 1.891 0 50 HDAA COCc1nn2c(ncc3c(=O)n(N4CCN(C)CC4)ccc32)c1-c1ccc(F)cc1 40397128 MYXMKNYUWCHNNH-UHFFFAOYSA-N 422.464 1.880 0 50 HDAA Cc1nc(N2CCN(S(=O)(=O)c3cc(F)ccc3C)CC2)cc(-n2ccnc2)n1 67604804 RNUPZFKPMNXXLQ-UHFFFAOYSA-N 416.482 1.929 0 50 HDAA NC(=O)C1CCN(C(=O)c2nnn(Cc3ccccc3F)c2-c2ccncc2)CC1 206643644 VNSQPLCWVNXCDX-UHFFFAOYSA-N 408.437 1.865 0 50 HDAA O=C(c1cnn(-c2ccccc2)n1)N1CCC[C@H](n2ncc(N3CCC3)cc2=O)C1 328603384 GAHHEOIKEHWFGJ-KRWDZBQOSA-N 405.462 1.511 0 50 HDAA O=C1C[C@@H]2CC[C@H](CNC(=O)c3cc(F)ccc3OCCN1)N2Cc1ccncc1 1857709620 IOSAXLRKAPUJMP-ZWKOTPCHSA-N 412.465 1.882 0 50 HDAA O=C(NCCCn1ccccc1=O)NC[C@@H](O)COc1cccc(C(F)(F)F)c1 1875253528 YSNWELQKJHJHAP-OAHLLOKOSA-N 413.396 1.996 0 50 HDAA Cc1nn(C)c(C)c1[C@@H]1COCCN1C(=O)C(=O)N[C@@H]1[C@H]2CCc3ccccc3[C@@H]21 1875259528 BIMVASBNQKRWFI-JYAXBFRTSA-N 408.502 1.781 0 50 HDAA Cc1cc(C)n(CCC(=O)N2CC[C@@]3(C2)C(=O)N(CC(=O)N(C)C)c2ccccc23)n1 2100534519 MBTLHMKJTGAPAK-QHCPKHFHSA-N 423.517 1.495 0 50 HDAA CCOC(=O)C1CCN(C(=O)COc2ccc(S(=O)(=O)NC(C)C)cc2)CC1 801253 PGHJUPCPUCBGBV-UHFFFAOYSA-N 412.508 1.554 0 50 HDAA CS(=O)(=O)N1CCN(c2cnn(-c3ccccc3)c(=O)c2Br)CC1 4703744 UXRUHBPUOPFBMA-UHFFFAOYSA-N 413.297 1.077 0 50 HDAA Cc1c(C)n2c3c(=O)n(Cc4ccccc4Cl)c(=O)n(C)c3nc2n1CCCO 10233627 NOFWDEWWCYNYON-UHFFFAOYSA-N 415.881 1.850 0 50 HDAA CC1CCN(Cc2nnnn2CC(=O)N2CCN(Cc3cccc(F)c3)CC2)CC1 19229275 OYZWNRDQRJONEH-UHFFFAOYSA-N 415.517 1.389 0 50 HDAA CCc1cc(N2CCC(N3CCC[C@@H](C(=O)N4CCN(C)CC4)C3)CC2)ncn1 71764417 VINWTVFUHWCPHC-GOSISDBHSA-N 400.571 1.494 0 50 HDAA COc1cccc(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N(C)Cc3ccncn3)[C@H]4C2=O)c1 77337324 UCQDMSNXCIHCSN-MXBUBSDBSA-N 420.469 1.426 0 50 HDAA CN(Cc1ccoc1)C(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(c4ccc(CCO)cc4)C(=O)[C@H]13)O2 77407579 KMRSBFCYEPWJMN-SRYPRDQNSA-N 408.454 1.759 0 50 HDAA CN1CCN(S(=O)(=O)c2ccc3c(c2)CN(C(=O)c2cscn2)CC3)CC1 77424571 ZWAUATUVVDIMRJ-UHFFFAOYSA-N 406.533 1.278 0 50 HDAA COc1ccc(NC(=O)CCC2CCN(C(=O)[C@@H]3CCC(=O)N3)CC2)c(OC)c1 95498492 OXXJUIQFSGNADR-KRWDZBQOSA-N 403.479 1.940 0 50 HDAA CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)c1cc(-c2cc(OC)ccc2OC)on1 225616053 JBXUMNSWKDGOMF-NEPJUHHUSA-N 419.434 1.545 0 50 HDAA O=C1[C@@H]2[C@@H](C(=O)N1c1ccncc1)[C@H]1C=C[C@@H]2[C@H]2C(=O)N(c3ccncc3)C(=O)[C@@H]12 239309367 HLMBUKUTOFQWAX-MULDDASSSA-N 400.394 1.204 0 50 HDAA Cn1c(=O)ccn(CC(=O)N2CCCC[C@@H]2c2nnc(-c3ccccc3F)o2)c1=O 328605060 MCULTTJAAXRTLN-OAHLLOKOSA-N 413.409 1.490 0 50 HDAA Cc1nn(-c2ccccc2F)c(C)c1[C@H]1COCCN1S(=O)(=O)c1cnnn1C 480870400 YMDHTZHXWSHZMH-MRXNPFEDSA-N 420.470 1.519 0 50 HDAA O=C(c1ccc(-n2cnnn2)cc1)N1C[C@@H](O)[C@H](Cc2ccnc3ccccc23)C1 1529174524 XPMPNKRVRGJHLS-DYESRHJHSA-N 400.442 1.886 0 50 HDAA Cc1cc(Cl)ccc1OCC(=O)N[C@@H]1CCC[C@@H](NS(=O)(=O)N(C)C)C1 1857676303 QNGVBJOPSGVBOU-HUUCEWRRSA-N 403.932 1.851 0 50 HDAA O=C1CC[C@@H](N2Cc3ccc(-n4cc(CC[C@@H]5CCCO5)nn4)cc3C2=O)C(=O)N1 1875356053 SCZCVORSAJAZDR-FUHWJXTLSA-N 409.446 1.140 0 50 HDAA CSc1ccc2c(C)cc(-n3nc(CC(N)=O)nc3C[C@@H]3CCC(=O)N3)nc2c1 1940197797 RKVWCPNCSQLROL-LBPRGKRZSA-N 410.503 1.695 0 50 HDAA COc1ccccc1N1C(=O)C(=CN[C@@H]2CCS(=O)(=O)C2)c2ccccc2C1=O 2082930506 IPUUEIAXACYGOW-CQSZACIVSA-N 412.467 2.000 0 50 HDAA C[C@H](CC(=O)NCCCNC(=O)C[C@@H](C)N1CCCCC1=O)N1CCCCC1=O 2325724276 ZZRBCMNEANLQFB-IAGOWNOFSA-N 408.543 1.191 0 50 HDAA COC(=O)C1=C(C)N=c2s/c(=C/c3c(C)nn(C)c3C)c(=O)n2[C@@H]1c1ccccc1 2797498 UWXJPWLVYNOZNB-GTENMVSRSA-N 422.510 1.759 0 50 HDAA CS(=O)(=O)N1CCC(C(=O)Nc2ncn(Cc3ccc(F)cc3Cl)n2)CC1 2804862 IRSGZUUTHXKESU-UHFFFAOYSA-N 415.878 1.729 0 50 HDAA COCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1cccc(Br)c1 9782405 FOYSPRHRKBZXLU-UHFFFAOYSA-N 422.283 1.303 0 50 HDAA biogenic CCOC(=O)N1CCC(NCc2cc(OC)ccc2OC[C@H](O)CN(C)C)CC1 12195233 JMFCUISMMAIVRN-GOSISDBHSA-N 409.527 1.707 0 50 HDAA Cc1ccc2nc3c(cc(C(=O)N4CCN(C(=O)c5ccco5)CC4)n3C)c(=O)n2c1 12421547 KGWANDXMPNTWBV-UHFFFAOYSA-N 419.441 1.686 0 50 HDAA O=C(Cn1nnnc1CN1CCCCCC1)N1CCCC[C@H]1CCN1CCOCC1 12708282 UDLRAMXNRUCQEX-IBGZPJMESA-N 419.574 1.153 0 50 HDAA CC(=O)N1CCN(c2ncccc2CNC(=O)c2ccccc2-n2cccn2)CC1 19111286 DYZLJJQVCFWWLA-UHFFFAOYSA-N 404.474 1.866 0 50 HDAA CCOC(=O)N1CCC(N2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)CC1 36056859 CXIUELGNJKALJS-UHFFFAOYSA-N 411.524 1.622 0 50 HDAA CN(C)S(=O)(=O)N1CCC(C(=O)NCCOc2ccc(C(C)(C)C)cc2)CC1 72116025 OBJROAKLFBBEHD-UHFFFAOYSA-N 411.568 1.998 0 50 HDAA COCCCN1CC2(CCC1=O)CCN(C(=O)[C@@H]1CCCCn3nnnc31)CC2 92028901 YIVMXBDHRSHCMP-MRXNPFEDSA-N 404.515 1.208 0 50 HDAA O=c1cccc2n1C[C@H]1C[C@H]2CN(CCN2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)C1 137506985 LEXDAVFCJPDCNA-LWYYNNOASA-N 406.530 1.548 0 50 HDAA CCc1ccc(NC(=O)Cn2c(=O)c(-c3noc(C)n3)c3n(c2=O)CCCC3)cc1 169763885 YFXMNEXKYBHLOV-UHFFFAOYSA-N 409.446 1.906 0 50 HDAA CC(=O)N1CCC2(CC1)CC(=O)c1ccc(OCC(=O)N[C@H](C)C(=O)O)cc1O2 206213261 PPUKPFXWAHKDCQ-GFCCVEGCSA-N 404.419 1.001 0 50 HDAA CC[C@@H](O)CN1CCN(S(=O)(=O)c2cnc(Cl)c(Br)c2)CC1 253420706 ZTVZFBVWNOKADX-SNVBAGLBSA-N 412.737 1.575 0 50 HDAA COc1ccccc1N1CCN(C(=O)C[C@H]2NC(=O)N(Cc3ccco3)C2=O)CC1 409413181 CQMPQVRUWDGRFO-MRXNPFEDSA-N 412.446 1.448 0 50 HDAA CCc1ccc(CN2CCc3c(C(=O)NCCc4nc(N)n[nH]4)csc3C2)nc1 426689293 QGMBPYWTOCRZHU-UHFFFAOYSA-N 411.535 1.937 0 50 HDAA NC(=O)CC[C@H]1CCCN(c2c(F)cc(S(N)(=O)=O)cc2Br)C1 428125846 QSZODFJCSJRWDV-SECBINFHSA-N 408.293 1.718 0 50 HDAA Cn1nc(CN2CCC(CNC(=O)Cn3cnnn3)CC2)c2c(Cl)cccc21 827864795 YNOJZVVTJLKUBV-UHFFFAOYSA-N 402.890 1.242 0 50 HDAA CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)NCCc1nc(-c3ccccn3)no1)C(=O)C2 1565506418 JEBHUJYSGMHPRQ-DJJJIMSYSA-N 404.492 1.989 0 50 HDAA COc1c[nH]c(C(=O)N[C@H]2CCCC23CCN(C(=O)c2nonc2C)CC3)cc1=O 1857672065 HRAOWVSRBXMODB-INIZCTEOSA-N 415.450 1.280 0 50 HDAA Cc1nc(C(=O)N[C@@H]2CN3CCCC[C@]3(C(=O)NCCc3cnc[nH]3)C2)cs1 1857690880 QJUZAACFRJXUAO-HNAYVOBHSA-N 402.524 1.260 0 50 HDAA N=c1nc(O)c2c([nH]1)C1(CC2)CCN(C(=O)c2cccc(N3CCNC3=O)c2)CC1 1940197250 CIQYGIVZNGPLBR-UHFFFAOYSA-N 408.462 1.245 0 50 HDAA O=C1CC[C@H](N2Cc3c(NC(=O)C(=O)c4ccc(F)cc4)cccc3C2=O)C(=O)N1 2325895771 JGYBSXPMAVAVII-INIZCTEOSA-N 409.373 1.408 0 50 HDAA O=C(NCc1nnc2n1CCN(C(=O)c1c(F)cccc1Cl)CC2)[C@H]1CCOC1 11975737 CUZSSFRRGXRBBV-LBPRGKRZSA-N 421.860 1.422 0 50 HDAA CS(=O)(=O)N1CCC(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)CC1 14105536 NGORUERBOONIMG-UHFFFAOYSA-N 415.537 1.081 0 50 HDAA Cn1nc(C(=O)NCCN2CCOCC2)c2c1CC[C@@H](NCc1cccc(F)c1)C2 14733508 LFGVQLNHYSVYAK-GOSISDBHSA-N 415.513 1.268 0 50 HDAA COc1ccc(OC[C@H](O)CN2CCC(O)CC2)c(CNCCCn2cccn2)c1 14951802 XCGCGXHUUSWROS-HXUWFJFHSA-N 418.538 1.268 0 50 HDAA Cc1nc(CCNC(=O)Cn2nnnc2CN2CCc3ccccc3C2)sc1C 67803958 XWFOGMVWLSQMCG-UHFFFAOYSA-N 411.535 1.664 0 50 HDAA CN1CCN(C(=O)C[C@H]2C(=O)NCCN2CC(c2ccccc2)c2ccccc2)CC1 72150903 IGEFPRBULGKLKM-QHCPKHFHSA-N 420.557 1.783 0 50 HDAA Cc1cc(N2CCOCC2)nc(N2CCN(C(=O)c3sc(C)nc3C)CC2)n1 72436863 XFDYGENNXVLHNT-UHFFFAOYSA-N 402.524 1.657 0 50 HDAA Cc1ccn(-c2cc(N3CCN(S(=O)(=O)c4cc(F)ccc4C)CC3)ncn2)n1 72437685 CYEFPDOWHQVTLJ-UHFFFAOYSA-N 416.482 1.929 0 50 HDAA Cc1cccc(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N(C)Cc3cnn(C)c3)[C@H]4C2=O)c1 77487197 APPNFOZONHOVNA-MXBUBSDBSA-N 406.486 1.669 0 50 HDAA COC(=O)c1ccc(N2C(=O)C[C@@H](N3CCN(Cc4ccccc4)CC3)C2=O)cc1 95482820 BZBFJEKCWGCIHZ-HXUWFJFHSA-N 407.470 1.923 0 50 HDAA CCn1c(-c2cnccn2)nnc1S(=O)(=O)[C@@H](C)C(=O)NCc1ccccc1 170617114 DGUSVNBOXHTVRZ-ZDUSSCGKSA-N 400.464 1.234 0 50 HDAA CN1CC[C@@H](N2CCC(NC(=O)c3cccc(NC(=O)[C@@H]4CCCO4)c3)CC2)C1=O 239762181 CLDUQPPFUHJNKE-MOPGFXCFSA-N 414.506 1.229 0 50 HDAA Cn1c(SCc2cc(=O)n3nc(C4CC4)sc3n2)nnc1[C@H]1CCCNC1 426425440 NUYOUQPKRRVDLG-NSHDSACASA-N 403.537 1.916 0 50 HDAA Cn1cc(S(=O)(=O)NCC(=O)N2CCn3c(cc4c(Cl)cccc43)C2)cn1 446516338 YNUILQJXCHNUFK-UHFFFAOYSA-N 407.883 1.349 0 50 HDAA CN1CCC[C@]2(CO)CCN(C(=O)c3ccc(C(=O)N4CCOCC4)cc3)C[C@@H]12 1704300508 WTGSDDCGLHMQJK-DENIHFKCSA-N 401.507 1.078 0 50 HDAA CN1CCOC[C@@H]1C(=O)N1CCC2(CCc3c(O)nc(-c4ccccc4)nc32)CC1 1857715748 GFMAUSIKCWNHPF-GOSISDBHSA-N 408.502 1.986 0 50 HDAA CCN1C[C@@H](C(=O)N2CCCC[C@@H](NC(=O)c3ccc(N)cc3F)C2)CCC1=O 2325864761 ZFEYCSMGIHNHFB-GOEBONIOSA-N 404.486 1.777 0 50 HDAA O=C1Cc2cccc(NS(=O)(=O)c3cccc(S(=O)(=O)NC4CC4)c3)c2N1 2325866435 KWDZHQMBFAHHDH-UHFFFAOYSA-N 407.473 1.423 0 50 HDAA C[C@@H](OC(=O)NCc1ccc2c(c1)C(=O)N([C@H]1CCC(=O)NC1=O)C2)C1CSC1 2325901224 YNCVQPHMPHDOME-BZNIZROVSA-N 417.487 1.425 0 50 HDAA O=C(N[C@@H]1c2ccccc2C[C@@H]1O)c1ccc(-c2n[nH]c(N3CCOCC3)n2)cc1 2356157716 NVTJYNOBZNMXLQ-RBUKOAKNSA-N 405.458 1.696 0 50 HDAA COc1ccc([C@H]2NC(=O)CO[C@@H]2c2nc(C)nn2CCc2cnc[nH]2)cc1OC 2356160441 RVJUWXIAJSDWRX-MOPGFXCFSA-N 412.450 1.498 0 50 HDAA Cn1c(=O)[nH]c(=O)c2c1nc(N1CCOCC1)n2Cc1cccc(Br)c1 625895 GKPCMRLBNATFHT-UHFFFAOYSA-N 420.267 1.071 0 50 HDAA COCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(Br)c(O)c(OC)c1 4142342 VDCIWJUHJFHLJT-CYBMUJFWSA-N 415.240 1.981 0 50 HDAA NC(=O)NCC(=O)N1CC(=O)N(C2CCCCC2)C[C@H](OCc2ccccc2)C1 14537484 CVFCHNMLWYMHKU-GOSISDBHSA-N 402.495 1.244 0 50 HDAA CCS(=O)(=O)NCc1c(C)ncc2c1CCN(C(=O)Cc1cccc(OC)c1)C2 14889374 HNEWMXJWPLLROI-UHFFFAOYSA-N 417.531 1.965 0 50 HDAA COc1ccc(NC(=O)c2cn(CCNC(=O)[C@H]3Cc4ccccc4O3)nn2)cc1 14993411 HRDBKDMZEKUYNK-LJQANCHMSA-N 407.430 1.659 0 50 HDAA CCS(=O)(=O)c1ncc(CN(C)C[C@@H]2COc3ccccc3O2)n1CCOC 19770855 XKPLBQLABHAFTD-MRXNPFEDSA-N 409.508 1.595 0 50 HDAA Cc1nn2cc(CCNC(=O)Cn3ncc(N4CCCCC4)cc3=O)nc2s1 20166088 VOPWQWUGLWGVGN-UHFFFAOYSA-N 401.496 1.005 0 50 HDAA COc1cccc(CNCCCn2ccnc2)c1OC[C@@H](O)CN1CCOCC1 23338733 HMBOYYOGFHMAEZ-IBGZPJMESA-N 404.511 1.144 0 50 HDAA C[C@@H](NS(=O)(=O)c1cccc(C(=O)NCc2cnn(C)c2)c1)c1ccncn1 95376759 VPRPNCBNSAWFIK-CYBMUJFWSA-N 400.464 1.180 0 50 HDAA Cc1cc(CNC(=O)[C@@H](NS(=O)(=O)c2ccc3c(c2)OCCO3)C(C)C)no1 142613699 CFTOERSVWRUAHC-KRWDZBQOSA-N 409.464 1.374 0 50 HDAA Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1NC(=O)CN1CCOc2ccccc2C1 1529111939 BXXRYGOBEYQVEI-KRWDZBQOSA-N 418.519 1.693 0 50 HDAA CCN1CCN(CCOc2ccccc2CN2C[C@@H]3COCC[C@]3(CO)C2)CC1 1772705332 MMJQYHHWGBPZSM-FYYLOGMGSA-N 403.567 1.534 0 50 HDAA CS(=O)(=O)N1C[C@H]2CN(Cc3cnc(N)nc3)C[C@@]2(CCc2ccccc2)C1 1772805498 MEXYBMZOGIWZAO-QUCCMNQESA-N 401.536 1.385 0 50 HDAA CS(=O)(=O)CCN1C[C@@H]2CN(Cc3ncc[nH]3)C[C@@]2(CCc2ccccc2)C1 1772816546 UHLUYARLFHZLAM-TZIWHRDSSA-N 402.564 1.821 0 50 HDAA O=C(c1cc(-n2cnnn2)n[nH]1)N1CCO[C@@H](CN2CCCC2)[C@@H]1c1ccccc1 1857712843 IXNNQPKQRIUQMW-HKUYNNGSSA-N 408.466 1.064 0 50 HDAA Cc1n[nH]c(C)c1S(=O)(=O)N1CC[C@@]23O[C@H](c4ccccc4)CN2C(=O)C[C@@H]13 1857720024 APGHQUKSVLVETE-FCEWJHQRSA-N 402.476 1.490 0 50 HDAA COc1ccc(Cc2nc(C3(CO)CCOCC3)n(-c3ccnn3C)n2)cc1OC 1857724593 JHOSCBYRBGQXDU-UHFFFAOYSA-N 413.478 1.649 0 50 HDAA COc1ccnc(CN2CC3(CCN(C[C@@H]4CC(=O)N(C)C4)CC3)OCCC2=O)c1 1857739136 KFPAQWWWYNKJLP-QGZVFWFLSA-N 416.522 1.152 0 50 HDAA O=C1CC[C@@H](CC(=O)N2CCC3(CCc4c(O)nc(-c5cccnc5)nc43)CC2)N1 1940197007 LLMWOWUJBGCOEP-HNNXBMFYSA-N 407.474 1.719 0 50 HDAA COC(=O)[C@@H](C)NC(=O)[C@@H](c1ccccn1)N(C(=O)c1ccccc1)c1cnn(C)c1 2325826959 QTTKVWOMDDVACB-DNVCBOLYSA-N 421.457 1.881 0 50 HDAA Cc1ccncc1C(=O)N1CCC(N2CCC[C@H](C(=O)N3CCOCC3)C2)CC1 71747580 BNJQAVVRBGVOAN-SFHVURJKSA-N 400.523 1.565 0 50 HDAA NC(=O)C1(C(=O)Nc2nn(CC(F)(F)F)c3cccc(N4CCOCC4)c23)CC1 77422125 ZWSKXTGWQBKHOU-UHFFFAOYSA-N 411.384 1.639 0 50 HDAA CN(CCn1cccn1)C(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(Cc4ccc(F)cc4)C(=O)[C@@H]13)O2 77438943 JKUHESCQGSFEPY-JYLXEMOASA-N 410.449 1.463 0 50 HDAA Cc1cccc(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N(C)CCn3cccn3)[C@H]4C2=O)c1 77484915 FRKNICHBIKISTL-SRYPRDQNSA-N 406.486 1.632 0 50 HDAA Cc1c(CN(C)C(=O)[C@@H]2[C@@H]3C=C[C@@]4(CN(Cc5cccnc5)C(=O)[C@@H]24)O3)cnn1C 77534898 PXYODKOBJMQCIQ-JYLXEMOASA-N 407.474 1.064 0 50 HDAA Cc1cc(=O)n2nc(CN3CCN([C@@H]4CCN(c5ccccc5)C4=O)CC3)sc2n1 170626292 AMNTYLIYQYPLOD-QGZVFWFLSA-N 424.530 1.383 0 50 HDAA C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N(C)C[C@H]1COc2ccccc2O1 240333220 FCIUEXVPNVTYNN-HIFRSBDPSA-N 405.476 1.433 0 50 HDAA Cc1nnc(CCNC(=O)[C@@H]2[C@@H]3C(=O)N(Cc4ccccc4)C[C@]34C=C[C@H]2O4)s1 426588933 JACZJOPJCWQXJD-LNNXQNCSSA-N 410.499 1.487 0 50 HDAA CS(=O)(=O)NCC(=O)N1CC[C@@]2(CCCN(CCCc3ccccc3)C2=O)C1 426690795 ZQJRAMPYGYNJMQ-FQEVSTJZSA-N 407.536 1.010 0 50 HDAA Cn1cc([C@H](CO)NC(=O)CCCN2C(=O)c3cccc4cccc(c34)C2=O)cn1 481790044 AAKDBFLZXIPILX-SFHVURJKSA-N 406.442 1.799 0 50 HDAA O=C(NCc1ccon1)Nc1ccc(CC(=O)N2CCN(c3ncccn3)CC2)cc1 747536263 AFHPTGIFJWZLKU-UHFFFAOYSA-N 421.461 1.678 0 50 HDAA CN(CC1CCN(Cc2ccccc2)CC1)C(=O)CN(C)[C@@H]1CCS(=O)(=O)C1 952986451 ZUQXEEOBNOBIDL-HXUWFJFHSA-N 407.580 1.476 0 50 HDAA CC(C)Sc1nnc(NC(=O)C2CCN([C@H]3CCS(=O)(=O)C3)CC2)s1 1506408546 MXWNCBPRZYZQID-LBPRGKRZSA-N 404.583 1.876 0 50 HDAA N=c1[nH]c(CCC(=O)N2C[C@@H]3OCCC(=O)N(Cc4ccccc4)[C@H]3C2)cs1 1857738225 XRISNJMGCXWHJU-IRXDYDNUSA-N 400.504 1.517 0 50 HDAA CN(C)c1cccc(C(=O)N[C@@H]2CCC[C@@H]2NC(=O)CC[C@@H]2CCC(=O)NC2)c1 1875344147 FZNXQYOLOBAOQX-ZYSHUDEJSA-N 400.523 1.826 0 50 HDAA CC1(C)C[C@@H](CC(N)=O)N(C(=O)C2CCC(n3cc(-c4cnccn4)nn3)CC2)C1 1875353068 IWTFHPMYPDQATG-UYSNPLJNSA-N 411.510 1.969 0 50 HDAA CC(C)(C)N1CC[C@@](F)(C(=O)N2CCNC(=O)[C@@H]2Cc2nc3ccccc3o2)C1 2325736000 ALZLGZCKCRVIPE-BTYIYWSLSA-N 402.470 1.910 0 50 HDAA Cn1ncc(I)c1C(=O)N1N=C(C(F)F)C[C@@]1(O)C(F)F 1015993 VFWRXYXPMDZWHH-SNVBAGLBSA-N 420.104 1.445 0 50 HDAA COC(=O)[C@H](CCSC)NC(=O)N1CCN(C(=O)c2c[nH]c3ccccc23)CC1 9547955 PRZZAJIPNWDSGR-KRWDZBQOSA-N 418.519 1.930 0 50 HDAA COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NCc2csc(C)n2)cc1C 15063669 NBDSMYPBUGQZFS-KRWDZBQOSA-N 402.520 1.775 0 50 HDAA COc1ccc(CCN(C)[C@@H]2CCCN(C(=O)CN3CCOC3=O)C2)cc1OC 15077928 MGQPMVHOHCHFHT-QGZVFWFLSA-N 405.495 1.621 0 50 HDAA CCN1CCN(C[C@@H](O)COc2cccc(CNCCN3CCCCC3=O)c2)CC1 19744806 WYPISUMKDNEBMU-OAQYLSRUSA-N 418.582 1.166 0 50 HDAA Cc1ccc(S(=O)(=O)N(C)CC(=O)N2CCN(Cc3ccccc3)CC2)cc1 19853411 CPTHZJALHRFCDK-UHFFFAOYSA-N 401.532 1.960 0 50 HDAA O=C(C[C@@H]1C(=O)NCCN1Cc1cccnc1)NCc1ccccc1OC(F)(F)F 59314179 GPSZNABNCSPUGU-MRXNPFEDSA-N 422.407 1.987 0 50 HDAA O=c1[nH]nc(C2CCN(c3nnnn3-c3ccccc3)CC2)n1Cc1ccccc1 71774619 BDADSRBIJFPXLA-UHFFFAOYSA-N 402.462 1.979 0 50 HDAA Cc1ccc(CCN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N(C)Cc3cnccn3)[C@@H]4C2=O)cc1 77426884 LFSIAGINXWKLRJ-BLRYILKCSA-N 418.497 1.768 0 50 HDAA CCCCN1CCN([C@H](C(=O)NCC2CCN(C)CC2)c2ccccc2)C(=O)C1=O 77470779 QSYICKLQEVKKGG-FQEVSTJZSA-N 414.550 1.657 0 50 HDAA CC(C)NS(=O)(=O)N1CCN(c2ncnc3c2cnn3-c2ccccc2)CC1 225813912 LUVCNBFKTBNDOG-UHFFFAOYSA-N 401.496 1.180 0 50 HDAA CC(=O)Nc1ccc(NC(=O)[C@H](C)OC(=O)[C@H]2CS[C@]3(C)CCC(=O)N23)cc1 241897389 TYHQJTPNXZACKP-SVBQJQNYSA-N 405.476 1.969 0 50 HDAA COc1ccc(CN2C(=O)[C@@H](CCC(=O)N[C@H](CO)C(C)C)N=C2O)cc1OC 252533207 GFZNBYWXERKFMV-HUUCEWRRSA-N 407.467 1.242 0 50 HDAA Cc1ccccc1[C@]1(CC(=O)N2CCC[C@H](O)C2)CC(=O)N(Cc2ccncc2)C1=O 299761416 WKIJIVFWOVEGCG-CYFREDJKSA-N 421.497 1.960 0 50 HDAA O=C1CN(C(=O)c2ccc(CNC(=O)N[C@@H]3[C@H]4CCc5ccccc5[C@@H]43)cc2)CCN1 435795163 PJPBGVSIOZGHAI-ILWGZMRPSA-N 418.497 1.786 0 50 HDAA COc1ccc(CN2CCC[C@@H](CNC(=O)CN3CCCC3=O)C2)c(OC)c1C 824525259 AWXDZESDHHAJHU-KRWDZBQOSA-N 403.523 1.963 0 50 HDAA O=C1C[C@@H](Sc2ccccc2C(=O)NCCc2nc(-c3ccccn3)no2)C(=O)N1 828295569 GNDRGHVPCGDQLD-OAHLLOKOSA-N 423.454 1.611 0 50 HDAA CNC(=O)CCc1ccccc1NC(=O)C1CCN([C@H]2CCS(=O)(=O)C2)CC1 952968789 PZXDNXWXQOHZTR-KRWDZBQOSA-N 407.536 1.203 0 50 HDAA CNC(=O)c1ccc(S(=O)(=O)N2CCN(Cc3cccc(C)c3)C(=O)[C@H]2C)cc1 1506417789 OTSDBIAWTJFFQE-MRXNPFEDSA-N 415.515 1.776 0 50 HDAA COc1ccnc(CN2CC3(CCN(C[C@@H]4CCOC4)CC3)OCCC2=O)c1OC 1704316281 LQHFAOGLYYMCDK-KRWDZBQOSA-N 419.522 1.719 0 50 HDAA Cc1cc(NC(=O)CN2C[C@@H]3CN(Cc4cc[nH]n4)C[C@]3(CO)C2)ccc1Cl 1772809249 QOZAULNVAYEEJR-MGPUTAFESA-N 403.914 1.736 0 50 HDAA Cc1cc2[nH]c(CN3C[C@@H]4OCCC(=O)N(Cc5ccccc5)[C@H]4C3)cc(=O)n2n1 1857722130 CIUJAEUGVGMSGR-OALUTQOASA-N 407.474 1.333 0 50 HDAA COC(=O)C1CCC(NC(=O)[C@H](C)NC(=O)c2ccccc2Cl)(C(=O)OC)CC1 1875255865 VYJAPHXOCIGILQ-MEVBUXLWSA-N 424.881 1.850 0 50 HDAA CNC(=O)CCCNC(=O)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1 1875258098 XBRLMPJDZXZHFH-UHFFFAOYSA-N 415.515 1.690 0 50 HDAA CC(=O)N[C@H](Cc1c[nH]c2cc(F)ccc12)C(=O)NC[C@@H]1[C@@H](C)N(C)CCN1C 1875258984 FKMHGIVQAHQPOL-SMHULIPUSA-N 403.502 1.105 0 50 HDAA CS(=O)(=O)N1CCN(c2ccccc2NC(=S)NC(=O)c2cccs2)CC1 2865891 OOUFLWCFZICBDJ-UHFFFAOYSA-N 424.573 1.957 0 50 HDAA Cc1nnc(SCCNC(=O)C[C@H]2C(=O)NCCN2Cc2cccc(F)c2)s1 55107785 DJIBVCAEVDWURX-HNNXBMFYSA-N 423.539 1.585 0 50 HDAA COc1ccc(S(=O)(=O)N2CCN(c3cc(-n4ccnc4)nc(C)n3)CC2)cc1 67601730 ASZYFYBMZRTYKQ-UHFFFAOYSA-N 414.491 1.490 0 50 HDAA CC[C@@H]1CN(Cc2ccc(C(=O)NCc3cn4cc(C)sc4n3)c(=O)[nH]2)CCO1 77376007 GHATZIBGGWZBRJ-MRXNPFEDSA-N 415.519 1.933 0 50 HDAA CCOC(=O)c1cc(NC(=O)[C@H]2[C@H](C(=O)O)[C@H]3CC[C@H]2O3)cc(C(=O)OCC)c1 137818580 KFAGGKYAWMFPEC-KLHDSHLOSA-N 405.403 1.857 0 50 HDAA O=C1N[C@H](CCC(=O)N2CCN(CCc3ccncc3)CC2)C(=O)Nc2ccccc21 169772658 XRJAGLGHLXFIEV-HXUWFJFHSA-N 421.501 1.299 0 50 HDAA CCN1CCC[C@@H]1CNC(=O)C[C@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O 223243226 BFTNKUBUTTYVDD-VQIMIIECSA-N 411.506 1.621 0 50 HDAA CN1C(=O)C[C@H](C(=O)N2CCC[C@H](c3nc(=O)[nH][nH]3)C2)[C@@H]1c1cccc(Cl)c1 253405120 YJPXQEBJFDDKOA-NOLJZWGESA-N 403.870 1.677 0 50 HDAA C[C@H](O)[C@H]1CCN(C(=O)C(=O)NC[C@H](c2ccccc2Cl)N2CCOCC2)C1 328590091 WXKJSGOTGYMCEO-RLFYNMQTSA-N 409.914 1.059 0 50 HDAA CC(C)C[C@@H](NS(=O)(=O)c1ccc2c(c1)c(=O)n(C)c(=O)n2C)c1cccnc1 670459471 GZGSRGHOVHDKNV-QGZVFWFLSA-N 416.503 1.698 0 50 HDAA NC(=O)c1ccc(NC(=O)c2cccc(NC(=O)N[C@@H]3CCS(=O)(=O)C3)c2)cc1 888090694 OIARXRURZLWTJV-MRXNPFEDSA-N 416.459 1.346 0 50 HDAA CNc1nc(C(N)=O)c(NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3OC)C2)s1 1506404527 FEGUXMDUXAUEJF-LLVKDONJSA-N 403.464 1.280 0 50 HDAA Cc1noc(C)c1CCC(=O)NC[C@H]1CCCN(C(=O)Cn2ccc(=O)cc2)C1 1506430941 ZWERRMBCYZSFFI-QGZVFWFLSA-N 400.479 1.441 0 50 HDAA COCC(=O)N1CCC2(CC1)OCCc1cc(C(=O)NCCc3cn[nH]c3)sc12 1857685593 ZBGLCIOLVSMHKH-UHFFFAOYSA-N 418.519 1.481 0 50 HDAA COc1ccc(CN2C[C@H]3[C@H](N(C)C)CS(=O)(=O)[C@H]3C2)cc1Cn1cccn1 1857728361 YNDZMPZZDSJXSV-NSHGMRRFSA-N 404.536 1.099 0 50 HDAA Cn1ncc2c1CCN(S(C)(=O)=O)[C@@H]2C(=O)NC1(c2ccc(F)cc2F)CCC1 2325828494 IPBJNXHTKBQQCM-KRWDZBQOSA-N 424.473 1.753 0 50 HDAA O=C(C[C@@H]1C(=O)NCCN1CCc1ccccc1)NCc1ccc(-n2cccn2)cc1 11817767 QGICVPSUPJBEDP-JOCHJYFZSA-N 417.513 1.922 0 50 HDAA O=C(NCc1nnc2n1CCN(C(=O)c1cc(F)ccc1F)CC2)c1ccncc1 11980340 IJFVVWUYOTWHIE-UHFFFAOYSA-N 412.400 1.580 0 50 HDAA CCCn1nc(C(=O)N2CCOCC2)c2c1CC[C@@H](NCC1(O)CCCCC1)C2 14745146 QVRTWKZVLPXNQZ-QGZVFWFLSA-N 404.555 1.908 0 50 HDAA O=C(C[C@H]1C(=O)NCCN1Cc1cccs1)NCc1ccc(-n2cccn2)cc1 15064312 DXODZONJQFDUBK-IBGZPJMESA-N 409.515 1.941 0 50 HDAA O=S(=O)(CC1CC1)c1ncc(CN2CCc3[nH]ncc3C2)n1C[C@H]1CCCO1 19731124 BPLROLXPZCJQRQ-QGZVFWFLSA-N 405.524 1.527 0 50 HDAA CCOC(=O)c1ccc(N2C(=O)C[C@H](N3CCN(C(=O)OCC)CC3)C2=O)cc1 19782490 HMLCDBUOTIWOHU-INIZCTEOSA-N 403.435 1.269 0 50 HDAA COc1cc(OC)c(C2=NO[C@@H](C(=O)NCCCN3CCOCC3)C2)cc1Cl 20481669 DNOXWAALFOAYOW-GOSISDBHSA-N 411.886 1.689 0 50 HDAA COc1ccc(C(=O)N2CCN(c3cc(-n4ccnc4C)ncn3)CC2)cc1OC 67623100 WDSAEQSGPSXIAB-UHFFFAOYSA-N 408.462 1.950 0 50 HDAA COc1cccc(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N(C)Cc3cc(C)on3)[C@H]4C2=O)c1 77555262 POCAPMBOZYUNJL-SRYPRDQNSA-N 423.469 1.932 0 50 HDAA CC(C)NC(=O)CN1CCC(N2C[C@@H](COc3ccc(F)cc3)OCC2=O)CC1 299801139 WPFHLKUJQJOSIE-IBGZPJMESA-N 407.486 1.421 0 50 HDAA COC1(CO)CCN(C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)C)CC1 446987251 AEIHLXMFUSOPAZ-LJQANCHMSA-N 401.507 1.851 0 50 HDAA O=C(C[C@H]1C(=O)NCCN1Cc1ccccc1)NCc1noc(-c2cccs2)n1 827801681 CNNYRPSLDBGYFH-HNNXBMFYSA-N 411.487 1.805 0 50 HDAA Cc1cc(C)c2nonc2c1S(=O)(=O)N1CCN(c2ncnc(C)c2C)CC1 952970435 VTWSFBGCNADNSP-UHFFFAOYSA-N 402.480 1.757 0 50 HDAA COc1ccc([C@@H]2[C@@H](CO)OCCN2C(=O)CCN2CCCCC2=O)cc1OC 1529168110 XQLXRFCRLIUKTD-WIYYLYMNSA-N 406.479 1.367 0 50 HDAA CN1CCC(O)(C(=O)N2CCC[C@@]3(CCc4c(O)nc(C(C)(C)C)nc43)C2)CC1 1857728281 UZWLFJQRYPECIB-OAQYLSRUSA-N 402.539 1.743 0 50 HDAA CN1C(=O)CCCN(Cc2cccnc2)CCCNC(=O)c2nn(C)c3c2C[C@H]1CC3 1875242565 UOLHQSKRYTYFCU-GOSISDBHSA-N 424.549 1.547 0 50 HDAA CC(C)N(C)CCCc1cn(-c2ccc3c(c2)CN([C@H]2CCC(=O)NC2=O)C3=O)nn1 1875355457 KUBDODHXNIRNBA-IBGZPJMESA-N 424.505 1.301 0 50 HDAA CNC(=O)N1CCC[C@@H]1C(=O)N(C)[C@H]1[C@@H]2CN(C(=O)[C@@H]3C[C@@H]4C=C[C@H]3CC4)C[C@@H]21 2325872909 RLHRPIQLUPKXDP-ZBDIRKKZSA-N 400.523 1.308 0 50 HDAA COc1cc2c(cc1OC)C1(CCN(C(=O)CC[C@@H]3NC(=O)NC3=O)CC1)OCC2 2356146805 WITNKNADNNNNMA-HNNXBMFYSA-N 417.462 1.082 0 50 HDAA CCOC(=O)CSc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(C)cc1 850874 SIBLRTJLMBFIOR-UHFFFAOYSA-N 402.476 1.446 0 50 HDAA CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C(=O)Cc3ccccc3)CC2)cc1 900078 MCLKGLONUHZGGI-UHFFFAOYSA-N 401.488 1.721 0 50 HDAA Cc1nccn1CCCNC(=O)C[C@H]1C(=O)NCCN1Cc1cccc(F)c1F 12441013 DGNBIEWCHJIJDB-KRWDZBQOSA-N 405.449 1.367 0 50 HDAA Cc1ccc(OCC(=O)NCCn2cc(C(=O)N3C[C@H](C)O[C@H](C)C3)nn2)cc1 17837693 AKXVULXCMVJYCW-IYBDPMFKSA-N 401.467 1.031 0 50 HDAA O=C(Cc1cnc2ncnn2c1)N1CCC[C@@H](N2CCN(c3ccccc3F)CC2)C1 55198648 GNOXQMYHRUYBOJ-GOSISDBHSA-N 423.496 1.619 0 50 HDAA CN1CCC(Oc2ccc(CNC(=O)C3CCN(S(C)(=O)=O)CC3)cc2)CC1 65363452 MWSHHNGWDDFOKB-UHFFFAOYSA-N 409.552 1.447 0 50 HDAA CN(Cc1nc(-c2ccncc2)no1)C(=O)C[C@@H]1C(=O)NCCN1CC(C)(C)C 67588670 TYXGRUGWXLUZNX-OAHLLOKOSA-N 400.483 1.327 0 50 HDAA CC1=NN(C(=O)C(=O)N2N=C(C)[C@H]3[C@@H]4[C@@H](C[C@]32O)C4(C)C)[C@@]2(O)C[C@H]3[C@@H]([C@@H]12)C3(C)C 101838583 IRCYFCMAOKHGHL-JHKMJYOESA-N 414.506 1.384 0 50 HDAA COc1cccc(C2=NO[C@@H]3[C@H]4C[C@H]([C@H]5C(=O)N(CCN(C)C)C(=O)[C@@H]45)[C@H]23)c1OC 168120033 PDGGZHFADDVANG-XDWVOIJPSA-N 413.474 1.235 0 50 HDAA O=C(CN1CCOCC1)N1CCN(c2nc(-c3ccncc3)nc3ccccc23)CC1 301072798 IVEFZVGRKMLPCG-UHFFFAOYSA-N 418.501 1.673 0 50 HDAA CCc1cccc(OC[C@@H](O)Cn2cnc3nc(N4CCOCC4)sc3c2=O)c1 328596123 TUVWBVFKCXFPMW-HNNXBMFYSA-N 416.503 1.692 0 50 HDAA C[C@H](NC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 748846250 KSWOULCMLAJCIF-SOUVJXGZSA-N 405.499 1.914 0 50 HDAA O=C1Cc2ccc(cc2)OCCn2cc(nn2)CCC(=O)N2CCCC[C@@H]2CCN1 1704337132 WARHWSJKBSSTOP-LJQANCHMSA-N 411.506 1.733 0 50 HDAA CCCCN1C[C@H]2CN(C(=O)c3ccc(N(C)S(C)(=O)=O)cc3)C[C@@]2(CO)C1 1772812804 QWLFSNQNCXUMJE-FXAWDEMLSA-N 409.552 1.249 0 50 HDAA CCOC(=O)[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CCN(C(=O)c1cncc(O)c1)C2 1857686671 BNOOZBNEOMDGEJ-JBYIUTFZSA-N 417.506 1.684 0 50 HDAA CCOc1ccc2nc(N3C[C@@H](C(=O)NCCn4cncn4)CC3=O)sc2c1 1857715318 MDIPPZFMZHXDTB-LBPRGKRZSA-N 400.464 1.456 0 50 HDAA COc1ccc(F)cc1C(=O)NC1([C@H]2CCN(C(=O)C[C@@H]3CCNC3=O)C2)CC1 1875334999 OJQAIYZNKLDFHG-KBPBESRZSA-N 403.454 1.471 0 50 HDAA COc1ccc(F)c(NC(=O)c2ccc3c(c2)C(=O)N([C@H]2CCC(=O)NC2=O)C3)c1 2325886931 OTBXWJTYLWTTOZ-KRWDZBQOSA-N 411.389 1.848 0 50 HDAA C[S@](=O)(=NC(=O)C1=CS(=O)(=O)CCC1)C1CCN(C(=O)[C@H]2CC2(F)F)CC1 2332238586 DJYMJMBQOXSQIX-ZBSNKRKSSA-N 424.491 1.350 0 50 HDAA COc1ccccc1OCC(=O)NC[C@@H](C)NC(=O)COc1ccccc1OC 4657012 WCXKYKKCSCRYBT-OAHLLOKOSA-N 402.447 1.783 0 50 HDAA COC(=O)C1CCN(C[C@@H](O)COc2ccc(CNCC3(C)COC3)cc2)CC1 11839426 IEWQTKPQBQXFDL-LJQANCHMSA-N 406.523 1.437 0 50 HDAA COc1ccc(CNC(=O)[C@H]2CCC(=O)N(CCCN3CCCC3=O)C2)c(OC)c1 11933878 FDZJPKSIXCVHLX-KRWDZBQOSA-N 417.506 1.571 0 50 HDAA CC(C)CN(C(=O)Cn1nc(-c2ccccc2F)ccc1=O)[C@H]1CCS(=O)(=O)C1 44921110 FTYHMMBSBHGLCU-HNNXBMFYSA-N 421.494 1.721 0 50 HDAA O=C1c2cccc(N3CCN([C@@H]4CCSC4)CC3)c2C(=O)N1CCn1cccn1 59322730 CIJXMPSPZVHUIA-MRXNPFEDSA-N 411.531 1.807 0 50 HDAA Cc1cccc(S(=O)(=O)N2CCN(c3cc(C)nc(N4CCOCC4)n3)CC2)c1 67613398 HKZZEHWQOKVQGJ-UHFFFAOYSA-N 417.535 1.441 0 50 HDAA COc1ccc(C)cc1N1C[C@@H](C(=O)NC[C@@H]2CCO[C@H]2c2ccnn2C)CC1=O 225573780 RJNQBDNIOCSAIF-CKJXQJPGSA-N 412.490 1.984 0 50 HDAA CCN1CCN(C[C@H](O)COc2ccc(CN[C@H]3CC[C@H](O)CC3)cc2OC)CC1 257371962 FGBALXXCSBBDOG-ACRUOGEOSA-N 421.582 1.466 0 50 HDAA Cc1nccc(NC(=O)c2cccc(S(=O)(=O)N3C[C@@H]4C[C@H]5C[C@H]4[C@H]3[C@H]5O)c2)n1 408525119 LNQKBJZPDWFFKK-KYYHFZFISA-N 414.487 1.427 0 50 HDAA Cc1ccc(S(=O)(=O)NC(=O)Cc2ccc(Br)cc2)cc1C(N)=O 732619998 HBCSDGXNHNLRMJ-UHFFFAOYSA-N 411.277 1.904 0 50 HDAA CN1CCN(C(=O)c2cncc(N(C)C[C@@H]3CC(=O)N(C4CCCC4)C3)n2)CC1 1529160051 ZXPKFEGPFCZGAH-INIZCTEOSA-N 400.527 1.092 0 50 HDAA CN1CCN(C(=O)c2cncc(N(C)C[C@H]3CC(=O)N(C4CCCC4)C3)n2)CC1 1529160054 ZXPKFEGPFCZGAH-MRXNPFEDSA-N 400.527 1.092 0 50 HDAA COc1ccc(C(=O)NCCCc2nn[nH]n2)cc1Oc1cc(F)cc(CN)c1 1857704767 FKKJVSUBZOTEHY-UHFFFAOYSA-N 400.414 1.961 0 50 HDAA Nc1cc(N2C[C@@H]3[C@H](CNC(=O)CN4CCCCCC4)[C@H]4CC[C@]3(C2)O4)ncn1 1857715506 VDEALHBOZJBGTH-BIZBXSGISA-N 400.527 1.035 0 50 HDAA CS(=O)(=O)NC(=O)C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 1875390702 AAABQVDGFRZTKN-UHFFFAOYSA-N 415.320 1.470 0 50 HDAA Cc1[nH]nc(C(=O)NC[C@H]2CCN(C(=O)c3cc4n(n3)CCCC4)C[C@H]2C)c1O 2325824066 NWBROAKZFOZVFG-TZMCWYRMSA-N 400.483 1.485 0 50 HDAA O=C1CC[C@@H](N2Cc3ccc(CNC(=O)Nc4ccccc4F)cc3C2=O)C(=O)N1 2325886926 OAPMRJCOHBBCBC-QGZVFWFLSA-N 410.405 1.908 0 50 HDAA O=S(=O)(Nc1ncccn1)c1ccc(NC(=S)N2CCN3CCC[C@@H]3C2)cc1 5814202 DYGACNZWDYIVKY-OAHLLOKOSA-N 418.548 1.754 0 50 HDAA COC(=O)C1CCN(C[C@H](O)COc2cccc(CNCC3(C)COC3)c2)CC1 11843408 WZSHLQZIOILZJM-IBGZPJMESA-N 406.523 1.437 0 50 HDAA CCN(CCN1CCCCC1)C(=O)[C@H]1CCC(=O)N(CCCN2CCCC2=O)C1 11874241 HFRNYAMVRKIDDL-IBGZPJMESA-N 406.571 1.572 0 50 HDAA CC[C@H]1CN(CC(=O)N2CCN(CC(=O)N(C)C)CC2)Cc2ccc(Cl)cc2O1 14882031 ITHXNLBTPWCMAH-SFHVURJKSA-N 422.957 1.545 0 50 HDAA Cc1cc(C)n(CCCNC(=O)[C@H]2CCC(=O)N(CCCN3CCCC3=O)C2)n1 15074613 RIOSSZRUTZJSEL-SFHVURJKSA-N 403.527 1.257 0 50 HDAA CCN(CCN1CCCC1)Cc1ccc(OC[C@H](O)CN2CCOCC2)c(OC)c1 19731339 LYGQMDLDLKRRAQ-OAQYLSRUSA-N 421.582 1.685 0 50 HDAA Cc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)NCCN1CCOCC1 20568017 MIRROOIETYTSKA-UHFFFAOYSA-N 409.552 1.478 0 50 HDAA CCCCN1CCN([C@@H](C(=O)N2CCc3n[nH]cc3C2)c2ccccc2)C(=O)C1=O 77287518 NVKHQYBCCRJBMB-LJQANCHMSA-N 409.490 1.507 0 50 HDAA Cc1cc(F)ccc1N1C[C@]23C=C[C@H](O2)[C@H](C(=O)N(C)CCc2cn[nH]c2)[C@@H]3C1=O 77439110 JWYLITILGZERTI-VWNVYAMZSA-N 410.449 1.845 0 50 HDAA O=C(CC[C@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O)NCCc1ccccc1 206248877 BDERIHXCCOFIRL-QGZVFWFLSA-N 409.442 1.975 0 50 HDAA C[C@H](C(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O 241693875 QINVGKNIDLUGRC-DJIMGWMZSA-N 422.485 1.833 0 50 HDAA O=C(CCCn1cnnn1)N1CC[C@@]2(CCCN(Cc3ccccc3F)C2=O)C1 426410502 KVICZIAOSYWDJU-FQEVSTJZSA-N 400.458 1.634 0 50 HDAA Cn1nnnc1SCC(=O)N1CC[C@@]2(CCCN(CCc3ccccc3)C2=O)C1 426544612 BDEIBKJLUWOMIZ-FQEVSTJZSA-N 414.535 1.386 0 50 HDAA CCOC(=O)N1CCN(S(=O)(=O)c2oc(-c3ccccc3)nc2C(=O)OC)CC1 823241580 SANPSKYJVPJKAU-UHFFFAOYSA-N 423.447 1.591 0 50 HDAA COCCc1noc([C@H]2CCCCN2C(=O)c2ccc3c(c2)N(C)C(=O)CO3)n1 952982511 APMQPQRKUGSECB-CQSZACIVSA-N 400.435 1.981 0 50 HDAA O=C(O)COc1ccc(CN2CCCN(S(=O)(=O)N3CCCCC3)CC2)cc1 1506417291 MDRGITHQYKJOSX-UHFFFAOYSA-N 411.524 1.388 0 50 HDAA COc1ccccc1C(=O)N1C[C@H]2CN(S(=O)(=O)c3ccccc3)C[C@]2(CO)C1 1772812851 RPMWWWWQWVDBTO-KKSFZXQISA-N 416.499 1.450 0 50 HDAA O=C(NC1(Cc2cn(-c3cnccc3C(=O)O)nn2)CCCCC1)c1cc(O)ncn1 1875359954 UQTVGLNGPIRLKP-UHFFFAOYSA-N 423.433 1.532 0 50 HDAA C=CC(=O)N1CCC(C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2O)CC1 1875364995 MLXUFHZSXWRRBI-UHFFFAOYSA-N 407.492 1.540 0 50 HDAA C[C@H]1CN([C@@H](C)CN=c2[nH]cc[nH]c2=NC[C@@H](C)N2C[C@H](C)O[C@H](C)C2)C[C@@H](C)O1 2325759547 GWZAPEQKGLUXCY-YUNYCSSDSA-N 420.602 1.140 0 50 HDAA CCN(CC)[C@H]1CC(=O)N(c2ccc(N3C(=O)C[C@H](N(CC)CC)C3=O)cc2)C1=O 688210 DCSAANTUNCFNMM-ROUUACIJSA-N 414.506 1.634 0 50 HDAA CCOC(=O)C1=C(N)N2C(=O)[C@H](C)SC2=C(C(=O)OCC)[C@H]1c1ccc(O)cc1 1076530 BXZKMYPJYDCNQH-GWCFXTLKSA-N 418.471 1.961 0 50 HDAA C[C@@H](CCOC1=NS(=O)(=O)c2ccccc21)NC(=O)C(=O)Nc1ccccc1 2296108 BLEUSNXTYHOABH-ZDUSSCGKSA-N 401.444 1.686 0 50 HDAA COc1cccc(CCNC(=O)c2cccc(N3C(=O)[C@@H](C)CS3(=O)=O)c2)c1 12002990 UUVGUPYKLATWEX-AWEZNQCLSA-N 402.472 1.980 0 50 HDAA O=C1NCCN(Cc2cccc(F)c2)[C@@H]1CC(=O)N1CCN(C2CCCC2)CC1 12438966 KIAOWDLWCWWRDH-HXUWFJFHSA-N 402.514 1.603 0 50 HDAA O=C(NCCN1CCOCC1)[C@@H]1CC(=O)N(CCc2c[nH]c3ccc(F)cc23)C1 13944835 OJQCHRWKKLRADL-MRXNPFEDSA-N 402.470 1.146 0 50 HDAA CN(CCc1cnn(C)c1)C(=O)C[C@H]1C(=O)NCCN1Cc1ccc(Cl)c(F)c1 15061975 TWOAXGKYVDOFGP-SFHVURJKSA-N 421.904 1.604 0 50 HDAA O=C(NCCN1CCNC1=O)c1cccc(OC2CCN(Cc3ccncc3)CC2)c1 15072810 QCKVFLFPDHAWPJ-UHFFFAOYSA-N 423.517 1.880 0 50 HDAA Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CC=CC[C@H]3C(=O)O)CC2)cc1C 17087362 STFKPANHYKMSDT-ZWKOTPCHSA-N 406.504 1.803 0 50 HDAA CCOC(=O)c1cc(C)nc2c1c(=O)n(Cc1ncc(C)c(OC)c1C)c(=O)n2C 20168581 WKCZONRIJXJZHA-UHFFFAOYSA-N 412.446 1.649 0 50 HDAA CC(C)NC(=O)c1cn(CCN2CCN(C(=O)/C=C\c3cccc(F)c3)CC2)nn1 55358037 RNJMSBLOIHJXLI-SREVYHEPSA-N 414.485 1.413 0 50 HDAA Cc1cccc(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N(C)CCn3cccn3)[C@@H]4C2=O)c1 77484910 FRKNICHBIKISTL-VAWZGJIGSA-N 406.486 1.632 0 50 HDAA COc1ccc([C@@H](O)C(=O)N2CCC3(CCC(=O)N(CCN(C)C)C3)CC2)cc1 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COc1ccc(S(=O)(=O)NC[C@H]2CC[C@H](C(=O)N3CCN(C=O)CC3)CC2)cc1 245256116 NUTJHORCNPRUJR-QAQDUYKDSA-N 423.535 1.081 0 50 HDAA CSCC[C@@H](NC(=O)[C@H]1CC[C@H](CNC(=O)[C@H](N)CC(C)C)CC1)C(=O)O 248080530 PMYVNNMQSPYTPN-KLHDSHLOSA-N 401.573 1.605 0 50 HDAA biogenic Cc1cccc(=O)n1CCC(=O)N[C@H]1C2CN3CCN(C2)CC1(c1ccccc1)C3 670468739 SOJQVTDGYNCCML-JWLIYLPMSA-N 406.530 1.231 0 50 HDAA Cc1cccc2c(O)nc(COC(=O)C3CCN(c4ccc5nnnn5n4)CC3)nc12 904543104 MXFYENNZMIYSEF-UHFFFAOYSA-N 420.433 1.436 0 50 HDAA Cc1ccc(C)c([C@H](C)NC(=O)CN2CCC(N3CCN(CCO)CC3)CC2)c1 1529180582 LGVMOSNLSZODHD-FQEVSTJZSA-N 402.583 1.555 0 50 HDAA COc1cccc(CN2CCC3(CC2)CN(CC(=O)N(C)C)C(=O)CCO3)c1OC 1704325251 KKTQEHXTPLXWAD-UHFFFAOYSA-N 419.522 1.376 0 50 HDAA Cn1ncc(Cl)c1C(=O)NC[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccco2)CCCO1 1875328062 WLCZXFQZTUVXLM-BFHYXJOUSA-N 406.870 1.818 0 50 HDAA CCc1noc(CC2CCN(S(=O)(=O)c3ccc4nc(O)nc(O)c4c3)CC2)n1 1875345677 FRZFNZSSOUTAJO-UHFFFAOYSA-N 419.463 1.630 0 50 HDAA CC[C@H]1C(=O)NCCCN1C(=O)CCc1cn([C@H](Cc2ccccc2)C(=O)O)nn1 1875355142 BEIQRBFATDKROI-ZWKOTPCHSA-N 413.478 1.206 0 50 HDAA CN(C)S(=O)(=O)c1ccc(C(=O)N2CC[C@@H](NC(=O)C3(C(F)(F)F)CC3)C2)o1 2325828338 DZNCTSUBCZETQO-SNVBAGLBSA-N 423.413 1.203 0 50 HDAA Cn1cccc1-c1nnc2ccc(C(=O)NCCc3noc([C@@H]4CCCO4)n3)cn12 2356150176 PJTHFBZDFYVCMV-HNNXBMFYSA-N 407.434 1.942 0 50 HDAA COc1ccccc1CNC(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O 881223 WPGNFQJPCOEPAR-UHFFFAOYSA-N 408.476 1.795 0 50 HDAA CCn1cc(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3cn(CC)nc3C)C2)cn1 2809292 KRQKAZYAIHRIBQ-INIZCTEOSA-N 408.528 1.145 0 50 HDAA CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)C[C@H](C)c3ccccc3)[C@H]2SC1 8488838 NFWOAGOKRSGCBI-WQFAYQGZSA-N 418.471 1.482 0 50 HDAA COCC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3ccccc3OC)CC2)cc1 9426486 LWRWDQQJSXGEPS-UHFFFAOYSA-N 419.503 1.791 0 50 HDAA CC(=O)NCCC1CCN(C(=O)C[C@@H]2C(=O)NCCN2Cc2ccc(C)cc2)CC1 12587713 NIWQSKHYRFHXOV-OAQYLSRUSA-N 414.550 1.450 0 50 HDAA COc1cc(CN2CCC(CCO)CC2)ccc1OC[C@@H](O)CN1CCOCC1 12748766 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VMNFHQKJFYIYGU-IEBWSBKVSA-N 411.458 1.430 0 50 HDAA COCCN1C(=O)C[C@@](CC(=O)N2CCC[C@@H](OC)C2)(c2cccc(OC)c2)C1=O 299766167 CCBAWMCDHSXMNR-GCJKJVERSA-N 418.490 1.366 0 50 HDAA C[C@H](NC(=O)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1)c1ncnn1C 473921988 IWFUYWWPKHGTEY-ZDUSSCGKSA-N 410.475 1.121 0 50 HDAA Cc1ccc(S(=O)(=O)NCCCNC(=O)Cn2cnc3ccsc3c2=O)cc1 670455780 JJLNGMNYGOLWEA-UHFFFAOYSA-N 420.516 1.251 0 50 HDAA Cc1cc2nc(C(=O)Nc3c(C)nn([C@H]4CCS(=O)(=O)C4)c3C)cc(C)n2n1 1529151907 HAKBHNBHEYGZKU-AWEZNQCLSA-N 402.480 1.771 0 50 HDAA Cc1ncsc1CN1C[C@H]2CN(C(=O)c3nnc4n3CCCCC4)C[C@]2(CO)C1 1772712929 VTCCJLVKPQEEGV-YWZLYKJASA-N 416.551 1.336 0 50 HDAA Cc1ccc(C(=O)N2CCC(C(=O)N3CC[C@@]45OCCCN4C(=O)C[C@@H]35)CC2)cc1 1857724953 GSENTEDWLGSNSK-XXBNENTESA-N 411.502 1.797 0 50 HDAA Cc1ccc(C2(O)CCN(C(=O)[C@H]3CC(=O)N(c4nnc(C)s4)C3)CC2)nc1 1857737203 AWRXXWNDVOJDDL-AWEZNQCLSA-N 401.492 1.413 0 50 HDAA COC(=O)N[C@@H](C)C(=O)N1CCC2(CCc3c(O)nc(-c4cccnc4)nc32)CC1 1940196092 JVRZJBSLETYOIY-ZDUSSCGKSA-N 411.462 1.795 0 50 HDAA COc1cc(C(=O)NS(=O)(=O)c2ccc(Br)cn2)nnc1C1CC1 2325841483 WUTCRMDVPDDBOY-UHFFFAOYSA-N 413.253 1.639 0 50 HDAA COc1ncccc1NC(=O)NCc1ccc2c(c1)C(=O)N([C@@H]1CCC(=O)NC1=O)C2 2325887012 QIJZEHWQBSKSHY-MRXNPFEDSA-N 423.429 1.173 0 50 HDAA COc1cccc(CN2CCNC(=O)[C@H]2CC(=O)N(C)CCN2CCCCC2)c1 12703688 QDIKAJPVSCXZPR-HXUWFJFHSA-N 402.539 1.330 0 50 HDAA CCOC(=O)N1CCN(C(=O)C[C@@]2(c3ccccc3Cl)CC(=O)N(C)C2=O)CC1 14986902 JWKYIZBNISFPDE-HXUWFJFHSA-N 421.881 1.657 0 50 HDAA O=C(CSc1nc(=O)c2c3c(sc2[nH]1)CCCC3)NCCN1CCOCC1 18169849 QDHPTFIVHFPSEU-UHFFFAOYSA-N 408.549 1.404 0 50 HDAA O=C(CCN1CCOCC1)N1CCC[C@H](CNS(=O)(=O)Cc2ccccc2)C1 20785801 JOVLXEUKERSFSO-LJQANCHMSA-N 409.552 1.067 0 50 HDAA C[C@@H](NC(=O)[C@@H]1COc2ccccc2O1)C(=O)N1CCN(Cc2ccccc2)CC1 67630338 RVMUKSKGGZWKAY-UTKZUKDTSA-N 409.486 1.676 0 50 HDAA COc1ccc(-c2cn3cc(C(=O)N4CC=C[C@@H]4CO)nc3c(=O)n2CC2CC2)cc1 72481524 DJFLGFNUVIBWQN-QGZVFWFLSA-N 420.469 1.955 0 50 HDAA CN(Cc1nccn1C)C(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(Cc4ccc(F)cc4)C(=O)[C@@H]13)O2 77506212 KHNRSKYYGMVUJW-UYZIEWPDSA-N 410.449 1.500 0 50 HDAA CCOC(=O)[C@H]1CCCN(S(=O)(=O)N[C@H](Cn2cncn2)c2ccccc2)C1 257364983 GUJCEFSYTTWVRQ-DLBZAZTESA-N 407.496 1.129 0 50 HDAA C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)N1CCC[C@@]2(C1)NC(=O)NC2=O 434779942 XVOKJPDNRIYJKI-SGTLLEGYSA-N 423.311 1.470 0 50 HDAA O=C(N[C@H]1C2CN3CCN(C2)CC1(c1ccccc1)C3)c1ccc2nc(CO)[nH]c2c1 828809004 VKGBLYXFKMPZCQ-NZAVSEOKSA-N 417.513 1.353 0 50 HDAA Cc1cc(-c2cc(S(=O)(=O)N3CCC[C@H]3C(=O)N3CCOCC3)c(C)s2)n[nH]1 1506416913 NFVTXHDHHHQGJK-HNNXBMFYSA-N 424.548 1.767 0 50 HDAA Cc1cccnc1CC(=O)NC[C@H]1CN(CC2CCN(CC3CC3)CC2)C(=O)CO1 1857698047 UHMZNDKAKSEEIO-FQEVSTJZSA-N 414.550 1.398 0 50 HDAA CCc1nnc(N2C[C@H](C(=O)NC3CCN(c4cnccn4)CC3)CC2=O)s1 1857715701 DHSIMJLEFOZSLV-GFCCVEGCSA-N 401.496 1.029 0 50 HDAA Cc1c(C(=O)N[C@@H](C)C(=O)N2CCS(=O)(=O)CC2)cnc2c(Cl)cccc12 1875317309 UGAOCMNTLPFQNB-LBPRGKRZSA-N 409.895 1.572 0 50 HDAA CCCO[C@@H]1C[C@@H](C(=O)NCc2cnn(CC)c2)CC[C@H]1NC(=O)c1ncc[nH]1 2100544682 FEUYJCASOCNZSL-GVDBMIGSSA-N 402.499 1.636 0 50 HDAA Cc1cc(C)n(C[C@H](C)NC(=O)COCC(=O)N[C@@H](C)Cn2nc(C)cc2C)n1 2325721730 QQMZBKLUWWZKQP-HOTGVXAUSA-N 404.515 1.039 0 50 HDAA CCn1nc(CC(=O)NC)nc1[C@H]1OCC(=O)N(C2CC2)[C@@H]1c1ccc(OC)cc1 2356138414 AVNPTJXTSQQEEF-UXHICEINSA-N 413.478 1.399 0 50 HDAA O=C(NC[C@@H]1[C@@H](c2ccccc2)[C@]12CN(c1cnccn1)C[C@H]2O)c1cscn1 2356153119 SEGOMTRHBXERPQ-STQYRHOTSA-N 407.499 1.944 0 50 HDAA COC(=O)c1cc(NC(=O)CS(=O)(=O)Cc2ccccc2)cc(C(=O)OC)c1 2848200 QINOBFCJIYDCNU-UHFFFAOYSA-N 405.428 1.813 0 50 HDAA O=C(Cn1nnnc1CN1CCCCCC1)N1CCC(N2CCSCC2)CC1 11815499 SINVZUARUGDDLA-UHFFFAOYSA-N 407.588 1.089 0 50 HDAA CCOC(=O)c1nn(Cc2ccccn2)c2c1CN(C(=O)c1cc(C)nn1C)CC2 14543024 KEHNGDJHNUFNOJ-UHFFFAOYSA-N 408.462 1.744 0 50 HDAA COc1cccc(OC)c1CN1CCc2nnc(CCNC(=O)C3CCC3)n2CC1 19743901 OVHAMVGDCRBPHJ-UHFFFAOYSA-N 413.522 1.812 0 50 HDAA COCCCn1c(CN(C)C[C@@H]2COCCO2)cnc1S(=O)(=O)C1CCCC1 20363481 KMMVHVCEWPPSBU-QGZVFWFLSA-N 415.556 1.483 0 50 HDAA COC[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)CN(C(=O)c1ccon1)CC2 77539884 VFERLSXONHGTLJ-INIZCTEOSA-N 405.476 1.673 0 50 HDAA COCCN1CCC(CN(C[C@H]2CCCO2)C(=O)c2ccn3nnnc3c2)CC1 96166254 DANZXFYZSOCGAP-GOSISDBHSA-N 402.499 1.104 0 50 HDAA Cc1nn(C)c(C)c1C[C@@H](C)C(=O)NS(=O)(=O)c1ccc(Br)nc1 225690369 XKSIVRMDLRPNAY-SECBINFHSA-N 415.313 1.878 0 50 HDAA Cc1ccccc1[C@@]1(CC(=O)N2CCC[C@H](O)C2)CC(=O)N(Cc2ccncc2)C1=O 299761425 WKIJIVFWOVEGCG-YADARESESA-N 421.497 1.960 0 50 HDAA O=C(Nc1cccc(OCCN2CCOCC2)c1)C1(n2cnnn2)CCCCC1 409414266 JXKGLLXWDICLQR-UHFFFAOYSA-N 400.483 1.682 0 50 HDAA COc1ccc([C@@H](CO)N(C)S(=O)(=O)c2ccc3nc(O)nc(O)c3c2)cc1 443262840 OEMSIOWWMAEKOP-MRXNPFEDSA-N 405.432 1.404 0 50 HDAA CCc1nn(C)c(CC)c1CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OCc1ccccc1 755208917 AWNKHFTYMYIAMG-UZLBHIALSA-N 414.506 1.933 0 50 HDAA CN1CC(=O)N(CC(=O)N2CCC(C(=O)NCc3ccccc3Cl)CC2)C1=O 823748543 OJTXJTJNEHZMPG-UHFFFAOYSA-N 406.870 1.089 0 50 HDAA Cc1nnnn1CCC(=O)N1CCC[C@@]2(CCc3c(O)nc(-c4cccnc4)nc32)C1 1857672605 HOGSPQCFIMAAOU-OAQYLSRUSA-N 420.477 1.436 0 50 HDAA Cc1nc(C(=O)N[C@@H]2CN3CCCC[C@@]3(C(=O)NCC3CCOCC3)C2)cs1 1857686624 ADBDSBRIMTZEPD-JXFKEZNVSA-N 406.552 1.721 0 50 HDAA CCc1nnc(CNC(=O)[C@@]23CC[C@H](N4CCOCC4)C[C@H]2CCN(CC)C3)o1 1857688558 PTRUFUJHUFPIAW-LLGFUMIMSA-N 405.543 1.461 0 50 HDAA Cc1ncc(C(=O)N[C@@H]2COC[C@H]2CS(=O)(=O)N(C)C)c(-c2ccccc2)n1 1875248116 ZMKZNLSGCKRBML-DOTOQJQBSA-N 404.492 1.088 0 50 HDAA O=C(N[C@@H]1CN(C(=O)c2ccc(F)c3ccccc23)C[C@H]1O)c1cc2n(n1)CCC2 1875331601 PJURSNMBKSOWLK-WOJBJXKFSA-N 408.433 1.737 0 50 HDAA O=C(NCCCN1C(=O)NC2(CCCC2)C1=O)c1cc(=O)c2cc(F)ccc2o1 2325706246 DPRLKJMQQYJCSW-UHFFFAOYSA-N 401.394 1.917 0 50 HDAA CCN1C[C@@H](C(=O)N2CCCC[C@@H](NC(=O)c3cccc(N)c3C)C2)CCC1=O 2325864532 RLPLLZQKYZACGN-DLBZAZTESA-N 400.523 1.947 0 50 HDAA COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2ccccc2N(C)S(C)(=O)=O)c1 667338 QOSKEQCWJLZRBT-UHFFFAOYSA-N 420.443 1.908 0 50 HDAA CS(=O)(=O)N(CCc1ccccc1)CC(=O)N1CCN(c2ccccc2)CC1 687713 SINCXCZRWLCSTB-UHFFFAOYSA-N 401.532 1.840 0 50 HDAA CCOc1cc(C=O)cc(I)c1OCC(=O)N1CCOCC1 1063480 XONQPQRTIIWODD-UHFFFAOYSA-N 419.215 1.740 0 50 HDAA COC(=O)c1cc(CNC(=O)Cn2cncn2)cc(NC(=O)c2cccc(OC)c2)c1 15072418 DHKSPNTYDCLGCV-UHFFFAOYSA-N 423.429 1.642 0 50 HDAA O=C(Cn1c(=O)[nH]c2ccccc2c1=O)N1CCN(C/C=C/c2ccccc2)CC1 20426281 DZEXPMDBKMAYAG-RMKNXTFCSA-N 404.470 1.547 0 50 HDAA COc1cccc(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N(C)Cc3noc(C)n3)[C@@H]4C2=O)c1 77320880 IWIZCLWANGMWEL-UYZIEWPDSA-N 424.457 1.327 0 50 HDAA CN(C)CCC(=O)N1CCC(N2CCC[C@H](C(=O)NCc3ccccn3)C2)CC1 82137183 VXFRNEUCWAOEPM-SFHVURJKSA-N 401.555 1.353 0 50 HDAA CC(C)(C)c1ccc(OCc2ncc(C(=O)NCCS(C)(=O)=O)c(O)n2)cc1 91707724 NGXHMSCHVHDKKD-UHFFFAOYSA-N 407.492 1.833 0 50 HDAA Cc1[nH]nc(CCC(=O)N2CCC3(CCC(=O)N([C@@H]4CCN(C)C4)C3)CC2)c1C 95519759 MAAMTUXLEQXNFJ-GOSISDBHSA-N 401.555 1.894 0 50 HDAA CN(Cc1ccc2c(c1)CN(C(=O)[C@H]1CNC(=O)C1)CCO2)Cc1cc(C2CC2)[nH]n1 299757242 JZMKURMADBCGIY-QGZVFWFLSA-N 423.517 1.776 0 50 HDAA COCCn1c(C(=O)N=c2cc(C)[nH]n2[C@@H]2CCS(=O)(=O)C2)cc2ccccc21 334159310 YUVPKMBZDXAFGP-MRXNPFEDSA-N 416.503 1.826 0 50 HDAA C[C@H]1CCCN(C(=O)C2CCN(C(=O)CN3CCC4(CC3)CCN(C)C4=O)CC2)C1 683674127 OUVCGVSKWNVBKS-SFHVURJKSA-N 418.582 1.428 0 50 HDAA COc1ccc(NC(C)(C)C(=O)N2CCCN(S(=O)(=O)N3CCCC3)CC2)cc1 1506427224 KTWZPSSFMOUVEP-UHFFFAOYSA-N 424.567 1.761 0 50 HDAA Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1NC(=O)c1ccc2c(c1)OCC(=O)N2 1529112319 KSYYXKGTISCNMK-CYBMUJFWSA-N 404.448 1.443 0 50 HDAA Cc1cccc(C(=O)N[C@@]2(C)CC3(CCN(C(=O)C4CC=CC4)CC3)OC[C@@H]2O)n1 1704339813 MYGDYZNMUIHBSL-UGKGYDQZSA-N 413.518 1.987 0 50 HDAA O=C(NC[C@H]1CCS(=O)(=O)C1)N1[C@H]2CC[C@@H]1[C@@H]1CN(Cc3ccncc3)C[C@@H]12 1857680294 JZCRIZUTQXWDJN-FQBWVUSXSA-N 404.536 1.121 0 50 HDAA O=C(CN1CCCCC1)N1CCO[C@@H](CN2CCC(O)CC2)[C@@H]1c1ccccc1 1857723208 YONPQSIEBWWEAZ-GMAHTHKFSA-N 401.551 1.898 0 50 HDAA COC(=O)c1nc(-c2ccccc2)oc1S(=O)(=O)N1CC[C@H](c2nc(C)no2)C1 1857799234 SDVQVLBSGNZZKI-ZDUSSCGKSA-N 418.431 1.998 0 50 HDAA C=CC(=O)NCc1nc2c(s1)CCN(C(=O)[C@H]1CC(=O)N([C@@H](C)CCC)C1)C2 1875386421 PUOJKDQKHHIQHK-KBPBESRZSA-N 404.536 1.867 0 50 HDAA COc1cc(COCC(=O)N2CC[C@@H](NC(=O)[C@H]3CCc4c[nH]nc43)[C@H]2C)ccn1 2325839173 KYXVUGNDVSYPML-XOKHGSTOSA-N 413.478 1.166 0 50 HDAA CC(C)(C)OC(=O)N(CCO)[C@H]1CCN(C(=O)N[C@H]2CCN(c3ccccn3)C2)C1 2325874201 DLOWCCDKTWHXIY-IRXDYDNUSA-N 419.526 1.674 0 50 HDAA Cc1c(C(=O)N2C[C@@H]3CC[C@@H](NC(=O)c4c[nH]c(=N)s4)[C@H]3C2)sc2nccn12 2325875778 BSICORXJVBNEHQ-SDDRHHMPSA-N 416.532 1.854 0 50 HDAA O=C1CC[C@@H](N2Cc3cc(C(=O)NC4(c5ncon5)CCCC4)ccc3C2=O)C(=O)N1 2325896347 WRJPLNXXPJLGNI-OAHLLOKOSA-N 423.429 1.030 0 50 HDAA CCOC(=O)CSc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(Cl)cc1 1051122 PRWWQBAQTQZMQL-UHFFFAOYSA-N 422.894 1.791 0 50 HDAA CCOC(=O)C1CCN(C(=O)C[C@H]2C(=O)NCCN2CCc2ccccc2)CC1 11874749 GXBRHBHWENACAU-IBGZPJMESA-N 401.507 1.221 0 50 HDAA COc1ccc(NC(=O)c2cn(CCNC(=O)Cc3cccc(OC)c3)nn2)cc1 12164067 FXVALMQZEOFOJU-UHFFFAOYSA-N 409.446 1.907 0 50 HDAA O=C(NC[C@H]1CCC2(CCN(Cc3cccc(OCCO)c3)CC2)O1)[C@H]1CCCO1 12182980 LVPWTIMEPDYLOD-NHCUHLMSSA-N 418.534 1.867 0 50 HDAA CC(C)(C)CN1CCC2(CC1)C(=O)N(CC(N)=O)C(=O)N2CCc1ccccc1 14535197 MNBGBLNZLUZYCF-UHFFFAOYSA-N 400.523 1.859 0 50 HDAA CCN1CCN(C[C@H](O)COc2cccc(CNCCc3c(C)n[nH]c3C)c2)CC1 19759109 FBTCILATNMBGMA-NRFANRHFSA-N 415.582 1.736 0 50 HDAA COc1ccc2c(c1)C=C(CN1C[C@H](O)[C@@H](N3CCN(c4ccccn4)CC3)C1)CO2 22891846 CGOSLTQUPQDPHP-VXKWHMMOSA-N 422.529 1.733 0 50 HDAA Cc1noc(C)c1NC(=O)c1cccc(S(=O)(=O)N2C[C@@H]3C[C@H]4C[C@H]3[C@@H]2[C@@H]4O)c1 408525071 JVZTZCLOLKEQMN-DFXHGPDCSA-N 417.487 1.934 0 50 HDAA Cc1nc(-c2ccc(NC(=O)C3CCN([C@H]4CCS(=O)(=O)C4)CC3)cc2)n[nH]1 827758259 CQKGSEPJNUZZBM-KRWDZBQOSA-N 403.508 1.618 0 50 HDAA COc1nccnc1N1CCC(N2C[C@H](COc3ccc(F)cc3)OCC2=O)CC1 1857712359 WBWYKLFPGUPFEA-GOSISDBHSA-N 416.453 1.900 0 50 HDAA COC(=O)CN=c1[nH]c(C)nc2c1CC[C@@]21CCCN(C(=O)c2cscn2)C1 1875240634 FPBLBCDCNWSJLG-LJQANCHMSA-N 401.492 1.369 0 50 HDAA CN(CC1(O)CCOCC1)c1cc(N(C)CC2(O)CCOCC2)nc(C(C)(C)C)n1 2325724419 TWYXIVCLEUKOST-UHFFFAOYSA-N 422.570 1.730 0 50 HDAA O=C(NC[C@H]1CC2(CCNCC2)C(=O)O1)c1cc(Br)cc2nc[nH]c12 2325854107 OGWGDOVKXMZNBX-LLVKDONJSA-N 407.268 1.741 0 50 HDAA O=C(c1ncc[nH]c1=O)N1C[C@@H]2C[C@H](C1)[C@@H]1CCCC(=O)N1[C@H]2Cc1ccccc1 2356157049 CAEZUBOBKBUHAI-XWSJACJDSA-N 406.486 1.854 0 50 HDAA O=C(COc1ccc(S(=O)(=O)NCCc2ccccc2)cc1)N1CCOCC1 800430 YBKCEXQGKXVIDO-UHFFFAOYSA-N 404.488 1.445 0 50 HDAA Cn1c(N2CCOCC2)nc2c1c(=O)n(Cc1ccc(Cl)cc1Cl)c(=O)n2C 1127852 XVNHAIKPROROGP-UHFFFAOYSA-N 424.288 1.625 0 50 HDAA Cc1ccc(NC(=O)CN2C(=O)N/C(=C/c3ccccc3OCC(=O)O)C2=O)cc1 4698991 PUSYMNDFMNENPK-MHWRWJLKSA-N 409.398 1.990 0 50 HDAA CCCN1C(=O)C[C@H](C(=O)OC)C12CCN(Cc1ccc(OCCO)cc1)CC2 11786827 RMQZMJVIFCGBIM-LJQANCHMSA-N 404.507 1.824 0 50 HDAA CN(C)S(=O)(=O)N1CC[C@H]2[C@H](CCCN2C(=O)c2c(F)ccc(F)c2F)C1 12004247 HLJZHLCYTPUUQU-RISCZKNCSA-N 405.442 1.837 0 50 HDAA COc1cccc(NC(=O)c2cn(CCNC(=O)CSc3ccccn3)nn2)c1 12247963 HFZGIMQOUYQIBK-UHFFFAOYSA-N 412.475 1.843 0 50 HDAA COCCN1CCC(CN(C[C@@H]2CCCO2)C(=O)c2cc(C)c(C)[nH]c2=O)CC1 12580646 YTBXFRISTYWIFA-IBGZPJMESA-N 405.539 1.971 0 50 HDAA O=C1CN(C(=O)C[C@H]2C(=O)NCCN2Cc2cccc(Oc3ccccc3)c2)CCN1 12597365 YSOJEGGQJBIUSU-FQEVSTJZSA-N 422.485 1.128 0 50 HDAA COc1ccc(C)cc1S(=O)(=O)N1CCN(c2cc(N(C)C)nc(C)n2)CC1 15671236 VSHHFSVISTZQQA-UHFFFAOYSA-N 405.524 1.679 0 50 HDAA CN(CCOc1ccccc1)C(=O)[C@H]1CCC(=O)N(CCCN2CCOCC2)C1 19794633 PHNYUDIMQYLTIH-IBGZPJMESA-N 403.523 1.485 0 50 HDAA CCS(=O)(=O)c1ncc(CN2CCCN(C=O)CC2)n1CCCc1ccccc1 20386345 LRIDSMLZEIQUDX-UHFFFAOYSA-N 418.563 1.974 0 50 HDAA CN1CC2(CCN(C[C@@]3(O)CCCN(CCc4ccccc4)C3=O)CC2)OC1=O 67967957 NDTWZOKXCJAIIQ-QFIPXVFZSA-N 401.507 1.499 0 50 HDAA COC(=O)CN1CCC[C@H](CNC(=O)CCC(=O)N2CCOc3ccccc32)C1 242339219 ZGAZSPBVELWARC-MRXNPFEDSA-N 403.479 1.193 0 50 HDAA Cn1c(CN2C[C@@H](c3ccccc3)CC2=O)nn([C@H]2CC(=O)[C@H]3OC[C@H]2O3)c1=S 254396741 CIQDWPCJZMFIIY-BFIPOCKSSA-N 414.487 1.723 0 50 HDAA O=C(NC[C@@H]1CN(C2CCN(C3CCC3)CC2)C(=O)CO1)c1cc(F)ccc1F 299786278 SGNFTEUEDFFQRM-QGZVFWFLSA-N 407.461 1.939 0 50 HDAA Cn1c(O)nc2ccc(S(=O)(=O)N3CCO[C@H](c4ccccc4)C3)cc2c1=O 825631944 XLRCOSFKNIHMOH-KRWDZBQOSA-N 401.444 1.401 0 50 HDAA CN1CCC2(CCN(C(=O)Cn3c(CS(C)(=O)=O)nc4ccccc43)CC2)C1=O 1320866373 WCQGADSYWMOODH-UHFFFAOYSA-N 418.519 1.052 0 50 HDAA COc1ccnc(-c2cn(-c3ccc4c(c3)CN([C@@H]3CCC(=O)NC3=O)C4=O)nn2)c1 1875355507 LPKCEOKKNUYXDP-GOSISDBHSA-N 418.413 1.099 0 50 HDAA Cc1ccc(C(N)=O)c(N2CCC3(CCc4c(O)nc(N5CCOCC5)nc43)CC2)n1 2100557168 OKYMZUFUUSFVON-UHFFFAOYSA-N 424.505 1.306 0 50 HDAA C=CC(=O)N(C)CC(=O)N1CCC(c2n[nH]cc2I)CC1 2325787019 VXWUXXWYNBTXEQ-UHFFFAOYSA-N 402.236 1.365 0 50 HDAA CC(C)(C)c1cc(CNC(=O)c2ccc3c(c2)CN([C@H]2CCC(=O)NC2=O)C3=O)on1 2325896003 OOGVWSYJGMSBQQ-INIZCTEOSA-N 424.457 1.663 0 50 HDAA CN(C)c1ncc2c(n1)[C@]1(CCCN(C(=O)c3ccc4c(=O)n(C)cnc4c3)C1)CC2 2356158731 XIXYNJBFBVIRDL-HSZRJFAPSA-N 418.501 1.910 0 50 HDAA CC(C)C[C@@H](NC(=O)CN(C)C)c1nnc2n1CCN(C(=O)C1=CCCC1)CC2 11787834 MUXPBLDGLVJKAX-QGZVFWFLSA-N 402.543 1.538 0 50 HDAA O=C1N[C@H](c2ccc(C(=O)O)cc2)[C@@H](C(=O)c2cccnc2)[C@](O)(C(F)(F)F)N1 11859298 STPNFWCLOASSPC-AHIWAGSCSA-N 409.320 1.884 0 50 HDAA COc1cc(CN2CCNC(=O)[C@H]2CC(=O)N(C)Cc2ccno2)cc(OC)c1 11934480 VCNZQHCUIGOJIN-GOSISDBHSA-N 402.451 1.041 0 50 HDAA COc1ccccc1OCC(=O)NC[C@H]1CCCN(C(=O)CCN2CCCO2)C1 12582926 GSZBVCNKDKHCSG-QGZVFWFLSA-N 405.495 1.456 0 50 HDAA CC(C)C[C@H]1NC(=O)[C@H]2CN(C(=O)c3ccc(OC(F)(F)F)cc3)CCN2C1=O 14742044 QYPLMRGCICTUNV-HUUCEWRRSA-N 413.396 1.783 0 50 HDAA COC(=O)CN(C)C(=O)c1coc(CN2CCN(C/C=C/c3ccccc3)CC2)n1 19842299 VAGYIUWSEJSLKS-RMKNXTFCSA-N 412.490 1.751 0 50 HDAA COc1cccc(S(=O)(=O)N2CCN(c3ccc(-n4cccn4)nn3)CC2)c1 67613421 SUSLRDFYACISLF-UHFFFAOYSA-N 400.464 1.182 0 50 HDAA Cc1ccc(C)c(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N3CCCN(C)CC3)[C@H]4C2=O)c1 77393143 FQPJGMRWMSXWPR-XARGGIHNSA-N 409.530 1.750 0 50 HDAA CC(C)(C)OC(=O)NC[C@H]1CC[C@@H](C(=O)N2CCN(CCN3CCCC3)CC2)O1 225761581 WMINEBGTYHGMJR-MSOLQXFVSA-N 410.559 1.299 0 50 HDAA O=C(NC[C@@H]1CN(CC2CCN(CC3CC3)CC2)C(=O)CO1)c1ccc(F)cc1 299786526 LIKHSARBWNLDOH-HXUWFJFHSA-N 403.498 1.905 0 50 HDAA CN(C(=O)c1cccc(S(=O)(=O)N2C[C@@H]3C[C@H]4C[C@H]3[C@H]2[C@@H]4O)c1)c1ccccn1 408524972 FCRZYOOFKDCOIW-OVWALXMSSA-N 413.499 1.748 0 50 HDAA Cc1ccnn1CCC(=O)NC[C@@H]1CN(CC2CCN(CC3CC3)CC2)C(=O)CO1 1857691616 SKNMTYDOTSMLBX-HXUWFJFHSA-N 417.554 1.047 0 50 HDAA CN(C)S(=O)(=O)C[C@@H]1CN(C(=O)c2cc(C3CC3)nc3ccccc23)C[C@H]1O 1857736480 QNSSTNNPLXVUSJ-IFXJQAMLSA-N 403.504 1.437 0 50 HDAA COCCn1nnc([C@H]2CN(Cc3nc(-c4ccccc4F)oc3C)CCO2)n1 1875249906 JECHRTXGXAFKCH-QGZVFWFLSA-N 402.430 1.996 0 50 HDAA Cc1cc(O)ncc1C(=O)N1CC[C@]2(CCN(C(=O)C(C)(C)Cc3cnn[nH]3)C2)C1 1875360253 CUMBYOPZEDMMMS-NRFANRHFSA-N 412.494 1.547 0 50 HDAA Cc1ncc2c(n1)[C@]1(CCCN(C(=O)COc3ccc(-n4cnnn4)cc3)C1)CC2 2356144566 DJZPQLOTWKASCE-OAQYLSRUSA-N 405.462 1.646 0 50 HDAA CC(=O)N[C@H](NC(=S)Nc1ccc(S(N)(=O)=O)cc1)C(Cl)(Cl)Cl 13638623 ORTWNPYZBSUZHU-SECBINFHSA-N 419.743 1.453 0 50 HDAA COc1ccc(S(=O)(=O)N2CC(=O)Nc3ccccc32)cc1C(=O)NC(C)C 16652491 LGXHEOPTVJFANO-UHFFFAOYSA-N 403.460 1.981 0 50 HDAA O=C(C[C@H]1C(=O)NCCN1Cc1cccc(C(F)(F)F)c1)NCCN1CCCC1 19850208 DEVCLXXWTHYGRA-KRWDZBQOSA-N 412.456 1.608 0 50 HDAA CCN1CCN(C2(C(=O)N[C@@H](CC(C)C)C(=O)OC)Cc3ccccc3C2)CC1 20535117 JVYIJWGQHMTKOW-FQEVSTJZSA-N 401.551 1.865 0 50 HDAA COCCn1c(CN2CCC[C@H]2C(=O)OC)cnc1S(=O)(=O)CCC(C)C 55053908 SXTCEKLHCMZLBU-INIZCTEOSA-N 401.529 1.487 0 50 HDAA Cc1nc(-c2c3n(c(=O)n(CC(=O)Nc4ccc(F)cc4)c2=O)CCCCC3)no1 169764000 RUBIDWLUDVAOOC-UHFFFAOYSA-N 413.409 1.873 0 50 HDAA CCN1CCCN(C(=O)N(c2ccc(OC)cc2)[C@@H]2CCS(=O)(=O)C2)CC1=O 170616170 KUQZDBNZHNCHGW-MRXNPFEDSA-N 409.508 1.363 0 50 HDAA Cc1ccc(NC(=O)CN(CCCO)Cc2ccccn2)cc1S(=O)(=O)N(C)C 225519655 IDGRMPPOWNORAT-UHFFFAOYSA-N 420.535 1.463 0 50 HDAA CN1C(=O)NC(=O)[C@]2(Cc3cccc(F)c3N3CCN(c4ccccc4)C[C@H]32)C1=O 248057126 SOYWAMFBKXZBQF-HTAPYJJXSA-N 408.433 1.772 0 50 HDAA CN1C(=O)C[C@H](C(=O)N2CCC[C@@H](c3nc(=O)[nH][nH]3)C2)[C@@H]1c1cccc(Cl)c1 253405108 YJPXQEBJFDDKOA-INWMFGNUSA-N 403.870 1.677 0 50 HDAA CCc1ccc(CN2CCc3c(C(=O)NC[C@@H]4CNCCO4)csc3C2)nc1 426445191 YSQLOLCFCBSMMR-KRWDZBQOSA-N 400.548 1.982 0 50 HDAA O=S1(=O)CC[C@@H](NS(=O)(=O)c2ccc(-c3cc(C(F)(F)F)on3)o2)C1 670459242 LZUDWSMCTVWXHM-SSDOTTSWSA-N 400.356 1.419 0 50 HDAA CC(=O)N1C[C@@H]2NC(=O)c3ccc(Cl)c(c3)OCCCn3cc(nn3)CO[C@H]2C1 952862801 RCDUWXLNBYCTBB-WMZOPIPTSA-N 419.869 1.260 0 50 HDAA COc1ccc(-c2onc(N3CCCC3)c2C(=O)N2CCN(CCO)CC2)cc1 1704314871 WUUIECZEJWOWDN-UHFFFAOYSA-N 400.479 1.701 0 50 HDAA Cn1cc([C@H]2[C@H](CN3CCCCC3)OCCN2C(=O)CCc2cc(O)no2)cn1 1857716835 GTDBSJBTSNTSIR-PXNSSMCTSA-N 403.483 1.501 0 50 HDAA CC(C)c1cc(C(=O)N2CC[C@@]34OC[C@@H](c5ccccc5)N3C(=O)C[C@@H]24)nc(=N)[nH]1 1857728724 AOMLBYSMUHJLDE-SVMVAKDDSA-N 407.474 1.927 0 50 HDAA C[C@]1(C(=O)N2CC(F)(CNC(=O)c3cnn4cccnc34)C2)[C@H]2Cc3ccccc3[C@@H]21 2325826996 RJNYRLPRRNLJIT-SPEDKVCISA-N 419.460 1.986 0 50 HDAA CC1(C)C(=O)Nc2ccc(C(=O)N3C[C@@H]4C[C@H]3CN4C(=O)[C@@H]3C[C@@H]4CC[C@H]3O4)cc21 2325872550 CRQVEYILXJNEBP-XHWCBRGXSA-N 409.486 1.909 0 50 HDAA O=C1CC[C@@H](N2Cc3ccc(C(=O)Oc4cccc5c4OCCO5)cc3C2=O)C(=O)N1 2325895740 IHQBRHQGPLGHBL-OAHLLOKOSA-N 422.393 1.438 0 50 HDAA NS(=O)(=O)c1ccc(NC(=O)CN2C(=O)c3cccc4cccc(c34)C2=O)cc1 4144510 AELNACPPUSAYDL-UHFFFAOYSA-N 409.423 1.722 0 50 HDAA CCOC(=O)N1CCN(C(=O)[C@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)CC1 6729308 PFNCRJTYRPVUBA-ZDUSSCGKSA-N 401.460 1.281 0 50 HDAA CCOC(=O)N1CCC(NC(=O)C[C@@H]2C(=O)NCCN2CC2CCCCC2)CC1 12757466 CNJOOLQFRPDWDI-GOSISDBHSA-N 408.543 1.494 0 50 HDAA CCS(=O)(=O)N1CCN(C(=O)c2ccccc2OCc2c(C)noc2C)CC1 20616060 PNLFEWSBEPQGIC-UHFFFAOYSA-N 407.492 1.978 0 50 HDAA Cc1cc(C)n(-c2cc(N3CCN(C(=O)c4ccc5c(c4)OCO5)CC3)ncn2)n1 67613944 BAUYNRVVDVDHGS-UHFFFAOYSA-N 406.446 1.970 0 50 HDAA Cc1nnc(NS(=O)(=O)c2ccc3c(c2)CN(C(=O)c2cc[nH]n2)CC3)s1 77455874 NBKMWMQAHZEYHJ-UHFFFAOYSA-N 404.477 1.569 0 50 HDAA Cc1cn2cc(CNC(=O)c3ccc(CN(C)Cc4ccon4)[nH]c3=O)nc2s1 77456265 JBBYAEUNQVRIFJ-UHFFFAOYSA-N 412.475 1.943 0 50 HDAA Nc1nnc(CNc2nc(CN3CCOCC3)nc3sc4c(c23)CCCC4)o1 253428718 KVHDULGEGFCJEA-UHFFFAOYSA-N 401.496 1.980 0 50 HDAA COc1cc(CN2CC[C@H](O)CC(C)(C)C2)ccc1OCC(=O)N1CCOCC1 824609109 HRUAKPAWPJZFQM-SFHVURJKSA-N 406.523 1.916 0 50 HDAA CCN1CCN(CCOc2ccc(CN3CC[C@@]45OCCN4C(=O)C[C@@H]35)cc2)CC1 1857708095 UZVNONBXTWRVKK-GGAORHGYSA-N 414.550 1.236 0 50 HDAA CCCNC(=O)[C@H]1C[C@H]2CN(C(=O)CCOC)CC(=O)N2[C@H]1c1ccc(OC)cc1 1857720261 LSGZQYLQHVABLI-MDKPJZGXSA-N 417.506 1.358 0 50 HDAA COc1ccc(CCNC(=O)CN2CC[C@@H](O)[C@@](CO)(Cc3ccccc3)C2)cc1 1857722340 INVPSBBXUBQVHH-VWNXMTODSA-N 412.530 1.642 0 50 HDAA COc1ncccc1C(=O)N[C@@H]1CC[C@H](C(=O)N(C)Cc2cscn2)C[C@H]1O 2100547322 FPSBLGUKKDENNZ-APHBMKBZSA-N 404.492 1.465 0 50 HDAA COc1cc(S(=O)(=O)NC(=O)[C@H]2CC[C@]3(CCOC3)O2)ccc1Br 2325829467 KQMXBHZQRVQSES-IUODEOHRSA-N 420.281 1.601 0 50 HDAA CCc1nc2ccc(Cl)cn2c1C(=O)NS(=O)(=O)c1ccsc1C(N)=O 2325852326 ZWLAGZOQGSIMQK-UHFFFAOYSA-N 412.880 1.829 0 50 HDAA C=CC(=O)N1CCC[C@@H](C(=O)N2CCO[C@@H](c3ccc(S(C)(=O)=O)cc3)C2)C1 2325889451 RCFSOBUSEVVOIR-SJLPKXTDSA-N 406.504 1.415 0 50 HDAA CS(=O)(=O)c1ccc(CC(=O)N2CCC[C@]3(CCc4c[nH]c(=N)nc43)C2)cc1 2356141613 JESBVQUJGRKEID-FQEVSTJZSA-N 400.504 1.342 0 50 HDAA COC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cc(C)c(Cl)cc1C 2818173 RARDHEXCDGEDBD-JSGCOSHPSA-N 402.900 1.788 0 50 HDAA O=C(COc1ccccc1)NCCc1nnc2n1CCN(Cc1nccs1)CC2 12163273 PQKZTFNCAXRLRB-UHFFFAOYSA-N 412.519 1.531 0 50 HDAA Cn1c(=O)n(C)c2cc(CNC(=O)[C@H]3CCC(=O)N(Cc4ccccn4)C3)ccc21 12448088 MWBUSPSGMUJAPE-INIZCTEOSA-N 407.474 1.327 0 50 HDAA COc1ccc(/C=C2\SC(=O)N(CCC(=O)N3CCOCC3)C2=O)cc1OC 12559023 RUTMOQKCYTYVIR-VBKFSLOCSA-N 406.460 1.989 0 50 HDAA C[C@H]1CN(C(=O)c2cn(CCNC(=O)CCc3c[nH]c4ccccc34)nn2)C[C@@H](C)O1 14991277 YIXWQKNEDNUXGX-IYBDPMFKSA-N 424.505 1.758 0 50 HDAA COc1ccc(CCN(Cc2cnn(C)c2)S(=O)(=O)c2cnn(C)c2)cc1OC 20602093 ZCFIEQHKNPBSGL-UHFFFAOYSA-N 419.507 1.604 0 50 HDAA Cc1ccn(-c2cc(N3CCN(S(=O)(=O)c4cc(F)ccc4F)CC3)ncn2)n1 72115958 OQDKSBPSYSYKKR-UHFFFAOYSA-N 420.445 1.760 0 50 HDAA COc1ccc(-c2cn3cc(C(=O)N4CC[C@H](O)C4)nc3c(=O)n2CC2CC2)cc1 72481369 ZHGBPUQUZSDBPH-INIZCTEOSA-N 408.458 1.788 0 50 HDAA Cn1c(CCC(=O)NC2CCOCC2)nc2cc(S(=O)(=O)N3CCCC3)ccc21 77356595 LHPFOHYZSSJLBK-UHFFFAOYSA-N 420.535 1.586 0 50 HDAA Cc1ccc(CCN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N(C)Cc3nccn3C)[C@@H]4C2=O)cc1 77424956 KJSBPPBRPMWMNK-WTMJVXIESA-N 420.513 1.712 0 50 HDAA COCCN(C)CCN1CC2(CCN(C(=O)c3cnc4ccccn34)CC2)OC1=O 77470631 AIBJPVLZBZMJBF-UHFFFAOYSA-N 415.494 1.340 0 50 HDAA Cc1ccc(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N(C)CCn3cccn3)[C@H]4C2=O)cc1C 77489490 RZVGNSFRSWLEJX-CIEVZJJWSA-N 420.513 1.941 0 50 HDAA COc1ccc(OC)c2c1[C@H]1[C@@H]3[C@@H]4[C@@H]3[C@@H]3[C@]15C=C[C@H](n1[nH]c(=O)n(C)c1=O)C[C@]35[C@@H]24 248041093 OGQGXENRZAODAB-WSWVNGRZSA-N 405.454 1.766 0 50 HDAA NS(=O)(=O)c1ccc(Br)c(C(=O)Nc2ccc3c(c2)C(=O)NC3)c1 730587744 AYUVWPDUCRWHMG-UHFFFAOYSA-N 410.249 1.592 0 50 HDAA CS(=O)(=O)c1cccc(S(=O)(=O)N2CCC[C@@H](N3CCCCC3=O)C2)c1 732814523 GQVVRCNBEYTTSQ-CQSZACIVSA-N 400.522 1.256 0 50 HDAA O=C(CCNC(=O)[C@@H]1CC(=O)N(Cc2cccnc2)C1)Nc1cc(F)ccc1F 952869882 OEKHOQUOXXKALO-CQSZACIVSA-N 402.401 1.853 0 50 HDAA O=C1Cc2ccc(cc2)OCCn2cc(nn2)CCC(=O)N2CCCC[C@H]2CCN1 1704337131 WARHWSJKBSSTOP-IBGZPJMESA-N 411.506 1.733 0 50 HDAA COC1(C(=O)NCc2cnc(C)cn2)CCN(C(=O)c2n[nH]c(C)c2Cl)CC1 1857708323 NLYVPIGRRVGYFT-UHFFFAOYSA-N 406.874 1.408 0 50 HDAA COC(=O)[C@@H](O)[C@@H](Cc1ccccc1)NC(=O)C[S@@](=O)c1ccc(Cl)cc1 1875383307 OGCGZDBVJQNHEK-WXFDILNBSA-N 409.891 1.709 0 50 HDAA Cc1cc(C)n(CCNC(=O)c2c(OCc3ccccc3)c(=O)ccn2C)c(=O)n1 1940194691 GHVFMRAKKAHSMJ-UHFFFAOYSA-N 408.458 1.568 0 50 HDAA C[C@H](NC(=O)C(=O)N1CCN(c2ccncc2)CC1)c1cc(F)ccc1-n1cccn1 2325724246 JYOYYXYWNVLEHZ-INIZCTEOSA-N 422.464 1.932 0 50 HDAA CSc1ccc(S(=O)(=O)NC(=O)c2cn(CC[C@H]3CCCCN3)nn2)cc1 2325839788 FBJYXDUWSYEWGO-CYBMUJFWSA-N 409.537 1.651 0 50 HDAA CN(C(=O)COc1cccc2c1CN([C@@H]1CCC(=O)NC1=O)C2=O)C1CC(F)(F)C1 2325897308 UDLWXYUUVAHOLJ-CQSZACIVSA-N 421.400 1.083 0 50 HDAA O=S(=O)(c1ccc(Cl)cc1)N1CCN(S(=O)(=O)N2CCCCC2)CC1 811857 MWFDPUIRYXKXSF-UHFFFAOYSA-N 407.945 1.377 0 50 HDAA Cn1c(=O)c2c(ncn2CC(=O)NC(c2ccccc2)c2ccccc2)n(C)c1=O 970801 BTEDSZFRVNCKDX-UHFFFAOYSA-N 403.442 1.340 0 50 HDAA biogenic CCOC(=O)N1CCN([C@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)CC1 4719647 NFVPJKACZAQYSF-AWEZNQCLSA-N 410.268 1.855 0 50 HDAA CCOC(=O)CNC(=O)N1CCC[C@H](N(C)CCc2ccc(OC)c(OC)c2)C1 12702556 VUYGGJVQZDUWRI-KRWDZBQOSA-N 407.511 1.915 0 50 HDAA COc1ccc(CCNC(=O)C[C@H]2C(=O)NCCN2Cc2ccccc2)c(OC)c1 12708048 ZPLFMEKYUNWEKY-FQEVSTJZSA-N 411.502 1.753 0 50 HDAA COC(=O)CCN1CCc2c(c(C(=O)NC3CC3)nn2Cc2cccc(OC)c2)C1 14754929 DKEBCEXOGPYEDE-UHFFFAOYSA-N 412.490 1.753 0 50 HDAA Cc1cccn2c(CNCCN3CCCC[C@@H]3CO)c(C(=O)N3CCOCC3)nc12 20996361 ZIHPTDVTNZTCHZ-GOSISDBHSA-N 415.538 1.052 0 50 HDAA O=S(=O)(c1cc(F)ccc1F)N1CCN(c2ccnc(N3CCCC3)n2)CC1 72117392 OHARNPSKWKYBQE-UHFFFAOYSA-N 409.462 1.866 0 50 HDAA CCOc1cc(C)c(Cl)cc1S(=O)(=O)N1CCCN(CC(=O)N(C)C)CC1 952965310 PZBIFWQHPYKVCX-UHFFFAOYSA-N 417.959 1.832 0 50 HDAA CCN1Cc2nc(OC)c(CNC(=O)CCc3nc(-c4ccco4)no3)cc2C1=O 952982763 YNEAFEPEKMCJQM-UHFFFAOYSA-N 411.418 1.958 0 50 HDAA COc1ccc(OCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCOCC2)cc1 1768752918 HXKKKYZYTQHDMB-OAHLLOKOSA-N 422.507 1.104 0 50 HDAA Cc1cccc(S(=O)(=O)N2C[C@@H]3COC[C@]3(C(=O)NCc3ccccn3)C2)c1 1857686445 XCMQGWFGDDIWBE-OXQOHEQNSA-N 401.488 1.344 0 50 HDAA CCc1nnc(N2C[C@@H](C(=O)NC3CCN(c4cnccn4)CC3)CC2=O)s1 1857715702 DHSIMJLEFOZSLV-LBPRGKRZSA-N 401.496 1.029 0 50 HDAA CC(C)(C)c1cc(CNC(=O)c2ccc3c(c2)CN([C@@H]2CCC(=O)NC2=O)C3=O)on1 2325896004 OOGVWSYJGMSBQQ-MRXNPFEDSA-N 424.457 1.663 0 50 HDAA O=C1CC[C@H](N2Cc3ccc(C(=O)Nc4cccc5c4CCN5)cc3C2=O)C(=O)N1 2325896642 CCKULRVUKMKRKU-SFHVURJKSA-N 404.426 1.668 0 50 HDAA COCCNC(=O)c1ccccc1NC(=O)c1ccc(N(C)S(C)(=O)=O)cc1 2140746 RSKBTEXGAQMCSG-UHFFFAOYSA-N 405.476 1.711 0 50 HDAA CCOC(=O)[C@@H]1[C@@H](c2ccc(OC)cc2OC)NC(=S)N[C@@]1(O)C(F)(F)F 11859264 XNSMAEPYIRYMCY-ZOWXZIJZSA-N 408.398 1.653 0 50 HDAA COCCNC(=O)c1cn(C2CCN(C(=O)Cc3ccc(F)cc3Cl)CC2)nn1 14956525 NGWVIUMNNBKTPE-UHFFFAOYSA-N 423.876 1.853 0 50 HDAA COc1ccc(CCN(C)[C@@H]2CCCN(C(=O)c3ccc(=O)n(C)n3)C2)cc1OC 15062087 FGWDDIZYBFYHBW-QGZVFWFLSA-N 414.506 1.577 0 50 HDAA COc1cc(CN(C)Cc2cc(C)no2)ccc1OC[C@@H](O)CN1CCOCC1 20210243 VNQXUYBQUBMVCB-SFHVURJKSA-N 405.495 1.696 0 50 HDAA CCOC(=O)c1n[nH]cc1CN1CCN(C2CCN(C(C)C)CC2)[C@H](CCO)C1 43154247 GKWDTYHCMUOXQB-LJQANCHMSA-N 407.559 1.328 0 50 HDAA Cc1nc(NCCNS(=O)(=O)c2ccc(C)c(C)c2)cc(N2CCOCC2)n1 65363261 XVHQYVDNEBHAEA-UHFFFAOYSA-N 405.524 1.629 0 50 HDAA CCS(=O)(=O)N1CCC[C@@H](C(=O)NCc2ccc(OC3CCN(C)CC3)cc2)C1 67601948 PVTMBTQHKYOSTH-GOSISDBHSA-N 423.579 1.838 0 50 HDAA CN1CCN(S(=O)(=O)c2cc(-c3ccc(=O)[nH]n3)ccc2Br)CC1 72115558 WMBMBBGJZTYRHB-UHFFFAOYSA-N 413.297 1.136 0 50 HDAA CCN1CCN(CCN2CC3(CCN(C(=O)c4ccsc4)CC3)OC2=O)CC1 77458558 GXWFUAZQPZBFTF-UHFFFAOYSA-N 406.552 1.813 0 50 HDAA C[C@@H](C(=O)N(C)C[C@]1(O)CCN(Cc2ccccc2)C1)n1nnc(-c2ccccc2)n1 170601431 MQMPZNSQYGDVHE-FDDCHVKYSA-N 420.517 1.997 0 50 HDAA CN(Cc1nnc(S(C)(=O)=O)s1)[C@@H]1CCN(c2ccccc2Cl)C1=O 225574049 UHVVKZXFNWSJTG-GFCCVEGCSA-N 400.913 1.832 0 50 HDAA O=C(COC(=O)CCN1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O)Nc1ccc(F)cc1 239038776 DXECMJXJDXDTLH-HXXCKNJQSA-N 412.417 1.751 0 50 HDAA C[C@@]1(c2cccc(-n3cnnn3)c2)NC(=O)N(CC(=O)Nc2ccc(F)cc2)C1=O 241171101 KEEUGUWTLAYYKK-IBGZPJMESA-N 409.381 1.207 0 50 HDAA Cc1c(C)[n+]([O-])c([C@@H](c2ccc3c(c2)OCO3)C2C(=O)OC(C)(C)OC2=O)n1C 263587513 HQSFFPQMPOFRHL-HNNXBMFYSA-N 402.403 1.588 0 50 HDAA O=C(Cc1noc(Cn2nnc(-c3ccccc3)n2)n1)NCc1ccc(F)cc1F 445826004 HQBXRCXVTPSLRC-UHFFFAOYSA-N 411.372 1.909 0 50 HDAA CC(C)(C)c1ccc(N2CCC(NC(=O)Cn3ncn4nccc4c3=O)CC2)cc1 732736634 FNSWRYNWNRQSLW-UHFFFAOYSA-N 408.506 1.974 0 50 HDAA CN1CCN(CCNC(=O)c2ccc(N3CCC[C@H](C(N)=O)C3)cc2)CC1(C)C 1325162014 RYFMWSBFVHZMRT-SFHVURJKSA-N 401.555 1.144 0 50 HDAA CC[C@@H](OC)C(=O)N1CCc2nc(C(=O)NCc3ccc(F)c(F)c3)cn2CC1 1875246737 LRBHMVHSJMXXSA-QGZVFWFLSA-N 406.433 1.901 0 50 HDAA COc1ccc(-c2ccnc3nc(=NC(=O)c4cnn5cc(C)cnc45)[nH]n23)cc1 2100545549 VSQWCIOUZMTPCF-UHFFFAOYSA-N 400.402 1.825 0 50 HDAA CC(=O)NCCN(C(=O)[C@H]1CC[C@H](C(=O)N(CCNC(C)=O)C(C)C)CC1)C(C)C 2325734416 DOAOUZVLKRVBLI-MXVIHJGJSA-N 424.586 1.539 0 50 HDAA COC(=O)CN1CCC(NC(=O)c2c(OCc3ccccc3)c(=O)ccn2C)CC1 2356165833 QEMDCMUEJBXBRH-UHFFFAOYSA-N 413.474 1.332 0 50 HDAA O=C(C[C@@H]1NCCC[C@H]1O)Cn1cnc2cc(Br)c(Cl)cc2c1=O 1849659 LVASCWIMLIKXLA-LSDHHAIUSA-N 414.687 1.885 0 50 HDAA endogenous,investigational CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)[C@@H](OCCO)c2cc3ccccc3nc2-1 14021076 XAKLYHGHEFMDAP-UNMCSNQZSA-N 408.410 1.587 0 50 HDAA COCCS(=O)(=O)c1ncc(CN2CCC[C@@H](CO)C2)n1Cc1ccccc1 15079220 CAXNCCFYRWWJPA-GOSISDBHSA-N 407.536 1.556 0 50 HDAA O=C(NCCCN1CCCCCC1)c1cccc(S(=O)(=O)N2CCOCC2)c1 23236929 IWRRVXQCFPMPSG-UHFFFAOYSA-N 409.552 1.703 0 50 HDAA C[C@]12CC[C@@H]3[C@H](CC[C@]4(O)C[C@H](O)CC[C@]34C(=O)O)[C@]1(O)CC[C@H]2C1=CC(=O)OC1 253506777 XJIILRFVONGQOG-AZISAFBISA-N 420.502 1.784 0 50 HDAA Cc1ccc(C(=O)N2CCC(C(=O)N3CCN(CCn4cncn4)CC3)CC2)cc1 825168312 ASZDHMXKWVWBRD-UHFFFAOYSA-N 410.522 1.283 0 50 HDAA CC(C)(C(=O)N[C@@H]1CC[C@H](NC(=O)CCOc2ccccc2)C1)N1CCOCC1 1857686238 MUYBKJWDOCXIRV-ZWKOTPCHSA-N 403.523 1.720 0 50 HDAA COc1ccnc(N2CCC(N3C[C@@H](COc4ccc(F)cc4)OCC3=O)CC2)n1 1857690520 LTAPCQNJYCZSAE-SFHVURJKSA-N 416.453 1.900 0 50 HDAA C[C@H](Cc1ccc2c(c1)OCO2)c1nccn1CCS(=O)(=O)N1CCOCC1 1857722944 QQKMPDWTQDAMKG-OAHLLOKOSA-N 407.492 1.620 0 50 HDAA c1cnn2ccc(-c3nc(-c4nc[nH]n4)nn3-c3ccn(C4CCOCC4)n3)c2c1 1875348531 UPBJKXYQKKWKHX-UHFFFAOYSA-N 402.422 1.915 0 50 HDAA COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NCc2nc(C)c(C)s2)c(F)c1 11719535 YTELOBXHIOWQGV-QGZVFWFLSA-N 420.510 1.915 0 50 HDAA CC(C)N(C)Cc1nnnn1CC(=O)N1CCC[C@H](COc2ccccc2F)C1 15067771 AZKUCQFFJVRQLS-INIZCTEOSA-N 404.490 1.970 0 50 HDAA Cc1cn2cc(CNC(=O)c3ccc(CN(C)[C@H]4CCN(C)C4)[nH]c3=O)nc2s1 77386880 FVAXPAVAPHJUGI-INIZCTEOSA-N 414.535 1.458 0 50 HDAA CNS(=O)(=O)c1ccc([C@H](C)NC(=O)Nc2ccc3c(c2)C(=O)NC3=O)cc1 138335646 KHGYOHRTTGKGAH-JTQLQIEISA-N 402.432 1.361 0 50 HDAA O=C(NCc1ccc(S(=O)(=O)CCO)cc1)c1cccc(OCC(F)F)n1 170611834 RDWTWPUIFGNSES-UHFFFAOYSA-N 400.403 1.422 0 50 HDAA COC(=O)CC1CCN(C(=O)C[C@H]2NC(=O)N(c3ccc(OC)cc3)C2=O)CC1 409415079 SPNUHCJIYWJTNF-MRXNPFEDSA-N 403.435 1.312 0 50 HDAA CC1=NO[C@](C)(C(=O)N2CCOC3(CCN(C(=O)Cc4cccnc4)CC3)C2)C1 822324417 WSAFNQMYTNVXSE-FQEVSTJZSA-N 400.479 1.399 0 50 HDAA COc1ccc(C(=O)N[C@@H]2C[C@@H](C(=O)NCc3ncc[nH]3)CC[C@H]2OC)cc1OC 1857683994 URDOYRFLYREJFA-NUEKZKHPSA-N 416.478 1.657 0 50 HDAA O=C(Cn1cc2ccccc2n1)N1CCO[C@@H](CN2CCOCC2)[C@@H]1c1cccnc1 1857733948 HEFRXULIMANJEG-GMAHTHKFSA-N 421.501 1.732 0 50 HDAA Cc1ncsc1-c1cn(-c2ccc3c(c2)CN([C@H]2CCC(=O)NC2=O)C3=O)nn1 1875355514 MBFZOLNATSSWEK-HNNXBMFYSA-N 408.443 1.460 0 50 HDAA CC[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C=CCN1C(=O)OC(C)(C)C)N(C)C 2325872756 LSTNXXDHQVRQRL-QAETUUGQSA-N 406.527 1.314 0 50 HDAA CCN1C(=O)[C@]2(SC(NC(C)=O)=NN2C(C)=O)c2cc(Br)ccc21 1424838 NGKHLUSIRDFIPD-OAHLLOKOSA-N 411.281 1.971 0 50 HDAA COCC(=O)N1CCC(Oc2ccccc2C(=O)NCc2c(C)n[nH]c2C)CC1 12705088 ZEEDJJZPVTUUSD-UHFFFAOYSA-N 400.479 1.973 0 50 HDAA Cc1cccc(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)CN2CCc3ccccc3C2)c1 13636665 IRDQDLIPUXDSQE-OAQYLSRUSA-N 420.513 1.709 0 50 HDAA CN(Cc1ccccc1)C(=O)c1cn(CCNC(=O)CSc2ccccn2)nn1 15070509 VQXDPPDNFCVTMM-UHFFFAOYSA-N 410.503 1.854 0 50 HDAA CCN1CCN(CCCN2CC3(CCN(C(=O)c4ccncc4)CC3)OC2=O)CC1 77553927 AYPCLNXTHFYPCV-UHFFFAOYSA-N 415.538 1.536 0 50 HDAA CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)c1cc(S(N)(=O)=O)cn1C 170645330 BDEAKUSBFYUAKV-QGZVFWFLSA-N 404.536 1.657 0 50 HDAA CCCOc1ccc([C@@H]2[C@H](C(=O)OC)C(=O)C[C@@](C)(O)[C@H]2C(=O)OC)cc1OC 239173857 OVBSUKWMFCUTJV-NEYJZJCJSA-N 408.447 1.870 0 50 HDAA COc1ccc(CN2C(=O)[C@@H](CC(=O)NCCc3nc4ccccc4[nH]3)N=C2O)cc1 252527957 DUYXKSMEDIMUIF-GOSISDBHSA-N 421.457 1.945 0 50 HDAA C[C@]1(C2CCN(C(=O)[C@H]3CC(c4cc(F)ccc4F)=NO3)CC2)NC(=O)NC1=O 746013395 XYPNJFDXRFISBQ-DNVCBOLYSA-N 406.389 1.295 0 50 HDAA CC(C)Cc1cc(C(=O)N2CCc3nnc(Cc4cccnc4)n3CC2)nc(O)n1 1506427548 KREXUWCVBWPCAT-UHFFFAOYSA-N 407.478 1.657 0 50 HDAA Cc1noc(C)c1CC(=O)N1C[C@H]2CN(Cc3cc[nH]n3)C[C@@]2(CCC(=O)O)C1 1772808768 AUGZGTPACMFAFH-QRWLVFNGSA-N 401.467 1.382 0 50 HDAA COc1cc(-c2nnc3n2C[C@@]2(CCN(C(=O)c4cnc(C)[nH]4)C2)OC3)ccc1O 1857692947 ASXYZDDKCDKDAP-FQEVSTJZSA-N 410.434 1.506 0 50 HDAA CN1CCc2nc(CNC(=O)C[C@@H]3CCCN(c4nc5ncccc5o4)C3)ncc2C1 1857731642 NMOKEEJGPCWNBC-HNNXBMFYSA-N 421.505 1.924 0 50 HDAA Cc1noc(CSCC(=O)N2CCCCNC(=O)C[C@H]3CCCCN3CCC2)n1 2100532801 AGGMSBVGGBHAPZ-QGZVFWFLSA-N 423.583 1.985 0 50 HDAA COc1ccc2c(c1)[C@H](C)CN(C(=O)[C@H]1Nc3ccccc3S(=O)(=O)N1)CC2 2325749410 BOAJORALTWORDI-YJYMSZOUSA-N 401.488 1.914 0 50 HDAA COc1ccc(CCNC(=O)CSc2nnc(C(F)(F)F)n2N)cc1OC 795597 YPJJBOKCHREYCG-UHFFFAOYSA-N 405.402 1.479 0 50 HDAA CCOC(=O)C1CCN(C(=O)C[C@@H]2C(=O)NCCN2Cc2ccc(F)cc2)CC1 14980984 VXFOOEFOVJHUCT-GOSISDBHSA-N 405.470 1.318 0 50 HDAA CCOc1cccc(N2C(=O)C[C@@H](NCc3ccc(S(N)(=O)=O)cc3)C2=O)c1 19770870 RCERXABCMBAQPU-QGZVFWFLSA-N 403.460 1.154 0 50 HDAA O=C(Cn1nc(O)ccc1=O)N1CC[C@@]2(CCCN(Cc3ccccc3F)C2)C1 20994820 SOCCYNCPMPOINK-OAQYLSRUSA-N 400.454 1.603 0 50 HDAA CC(C)CC(=O)[C@H]1CCCN(C(=O)c2ccc(N3CCC(O)(CO)CC3)nc2)C1 67696525 LYWIUKQSBZDNKY-SFHVURJKSA-N 403.523 1.873 0 50 HDAA CN1CCN(c2cc(N3CCN(C(=O)c4ccc(Cl)cc4)CC3)ncn2)CC1 72115889 YCDJTBROIHRBLU-UHFFFAOYSA-N 400.914 1.844 0 50 HDAA CC(C)OCC(=O)N1CCC(N2CCC[C@H](C(=O)NCc3cccnc3)C2)CC1 82116304 UIGGAGKSXDBDPZ-IBGZPJMESA-N 402.539 1.826 0 50 HDAA CCc1cc(C(=O)N2CCC(c3nnc(CN4CCC(O)CC4)n3C)CC2)on1 96137568 FNRMUBIBCCSAOP-UHFFFAOYSA-N 402.499 1.342 0 50 HDAA O=C(O)CCOCCOCCC(=O)Nc1ccc(CCC(=O)N2CCC2=O)cc1 96503380 ISVXAOFJPGUMDS-UHFFFAOYSA-N 406.435 1.215 0 50 HDAA Cc1cc(NC(=O)Cn2c(=O)c(-c3noc(C)n3)c3n(c2=O)CCCCC3)no1 169763992 PHMHATVZRKRQSF-UHFFFAOYSA-N 400.395 1.030 0 50 HDAA O=C1C[C@H](n2c(=S)n([C@H]3CC(=O)[C@H]4OC[C@H]3O4)c3ccccc32)[C@H]2CO[C@H]1O2 248003553 RQGIDQQMSDJKIJ-RUQDAACESA-N 402.428 1.683 0 50 HDAA CCn1c(Cn2nnc(-c3ccccc3)n2)nn([C@@H]2CC(=O)[C@H]3OC[C@H]2O3)c1=S 254294385 YNUJFARSOSVFDY-MRRJBJDNSA-N 413.463 1.391 0 50 HDAA CCN1C[C@H](C(=O)N2CCC(CNC(=O)Cc3cc(F)ccc3C)CC2)CC1=O 823101436 GGOWJOIAWYSKMY-GOSISDBHSA-N 403.498 1.900 0 50 HDAA C[C@H]1[C@H](NC(=O)N2CCc3nnc(N4C[C@@H]5CN(C)C[C@@H]5C4)cc3C2)CCCN1C 952890553 CNUKVNRPCUBHPZ-GDAAHCPNSA-N 413.570 1.025 0 50 HDAA COCCc1noc([C@@H]2CCCCN2C(=O)c2ccc(N3CC(=O)NC3=O)cc2)n1 1506413192 IGEDTUAIIRCKQU-HNNXBMFYSA-N 413.434 1.682 0 50 HDAA Cc1ccc2cc1OCCCn1cc(nn1)CCC(=O)NCC1CCN(CC1)C2=O 1704329360 TWHYYHAYKZNCEA-UHFFFAOYSA-N 411.506 1.970 0 50 HDAA CCN1CC[C@@H]2C[C@@H](N3CCOCC3)CC[C@@]2(C(=O)NCCc2nccn2C)C1 1857691074 YLTULTZBRMSKJP-XQBPLPMBSA-N 403.571 1.292 0 50 HDAA CS(=O)(=O)c1ccc(N2C[C@@H]3OCCC(=O)N(Cc4ccccc4)[C@H]3C2)nc1 1857715321 MHRGHDOMVCXKHT-ROUUACIJSA-N 401.488 1.491 0 50 HDAA C[C@@H](c1ccccc1)N1C[C@@H](C(=O)NS(=O)(=O)c2cnc3ccccn23)CC1=O 2325819806 QGNZFDOORBPTIY-HOCLYGCPSA-N 412.471 1.749 0 50 HDAA Cc1noc(CCCC(=O)N2[C@H]3CCC[C@H]2CN(C(=O)C[C@H]2CCCC(=O)N2)C3)n1 2325827072 URVFYGUWYLIUEV-IKGGRYGDSA-N 417.510 1.351 0 50 HDAA CNCc1cccc(NC(=O)c2ccc3c(c2)CN([C@H]2CCC(=O)NC2=O)C3=O)c1 2325896469 ZFDMNNNCFVRHRE-SFHVURJKSA-N 406.442 1.419 0 50 HDAA O=C(NC[C@@H]1[C@@H](c2ccccc2)[C@]12CN(C(=O)c1cc[nH]c1)C[C@H]2O)c1cnc[nH]1 2356168804 OFBDITXEMKSIMD-WGQQHEPDSA-N 405.458 1.385 0 50 HDAA O=C1C[C@H](N2CCSCC2)C(=O)N1c1ccc(I)cc1 811215 OEWFLINOZNOJAE-LBPRGKRZSA-N 402.257 1.972 0 50 HDAA Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1cc3c(cc1Br)OCO3)CC(=O)N2 4913098 FQUZIXADWRGPRH-MRVPVSSYSA-N 408.208 1.049 0 50 HDAA O=C(NCCN1CCOCC1)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 20512817 YUQSUEARRCJJOT-UHFFFAOYSA-N 401.916 1.187 0 50 HDAA O=C(C[C@@H]1C(=O)NCCN1C/C=C/c1ccccc1)NCc1cn2c(n1)SCC2 20536960 BWHZPRMKRHHCFF-WEBJUUICSA-N 411.531 1.509 0 50 HDAA O[C@@H](COc1ccc2c(c1)OCO2)CN1CCN(Cc2ccc3c(c2)OCO3)CC1 21475728 LSVUFTKIRRUJII-QGZVFWFLSA-N 414.458 1.702 0 50 HDAA O=C1CCCCN1CC(=O)N1CCC[C@@H](N2CCN(c3ccccc3F)CC2)C1 61969763 ONNNCABURCYIPV-GOSISDBHSA-N 402.514 1.951 0 50 HDAA COc1cccc(CN2CCC[C@@](O)(CNCc3cnc(C)cn3)C2=O)c1OC 67895053 WYXAYCUJRANYSI-OAQYLSRUSA-N 400.479 1.446 0 50 HDAA C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)CC(=O)NC[C@H]1COc2ccccc2O1 252139734 GJDJWVDAOCTMHY-HOCLYGCPSA-N 419.503 1.283 0 50 HDAA Cc1nccc(NC(=O)c2cccc(S(=O)(=O)N3C[C@@H]4C[C@H]5C[C@H]4[C@H]3[C@@H]5O)c2)n1 408525118 LNQKBJZPDWFFKK-GAIWEEKLSA-N 414.487 1.427 0 50 HDAA Cc1cccc2c1CN(C(=O)CCC(=O)Nc1ccc3c(n1)n(C)c(=O)n3C)CC2 430357564 MSJBZJBJPYAAFW-UHFFFAOYSA-N 407.474 1.884 0 50 HDAA O=C(CN1C[C@@H](CO)c2ccccc21)NCc1ccc(C(=O)N2CCOCC2)cc1 433300712 DYMHCVXAXGIDGA-IBGZPJMESA-N 409.486 1.371 0 50 HDAA CCCNS(=O)(=O)c1ccc(C(=O)NCc2nc(-c3ccccn3)no2)cc1 822964717 CEXKUAKENRYGGX-UHFFFAOYSA-N 401.448 1.750 0 50 HDAA CCN=c1[nH]c(C(=O)N2CCOC[C@]3(COCCN3Cc3ccccc3)C2)cs1 1875318164 OEVHIVXWYJCXBR-NRFANRHFSA-N 416.547 1.740 0 50 HDAA COc1ccc([C@@H]2CN(C(=O)C(=O)Nc3cccc(C(N)=O)c3)CCO2)cc1OC 1875324259 OSFWWYBINVLUJU-SFHVURJKSA-N 413.430 1.341 0 50 HDAA CO[C@@H]1CC[C@H](C(=O)N2CCCNC(=O)C2)C[C@H]1Nc1nc(C)ncc1C(C)C 2356152990 LRVMSVXFFJJZRL-CGTJXYLNSA-N 403.527 1.853 0 50 HDAA Cc1nc2c(c(=O)n1C)CCN(C(=O)c1ccc3nnc([C@@H](O)C(C)C)n3c1)CC2 2356169828 IFDFRVRDMYNEGI-SFHVURJKSA-N 410.478 1.062 0 50 HDAA COc1cc(CNCC(C)(C)CN(C)C)ccc1OC[C@@H](O)CN1CCC(O)CC1 11816626 FKGLCGSRAXUJLA-FQEVSTJZSA-N 423.598 1.569 0 50 HDAA COC(=O)[C@@H]1CCCN1C(=O)[C@H]1CC(=O)c2sc(NC(=O)C3CCC3)nc2C1 12150609 NKASKRDHYKPQAB-YPMHNXCESA-N 405.476 1.791 0 50 HDAA O=C1NCCN(Cc2cccnc2)[C@H]1CC(=O)N1CCCN(C2CCCCC2)CC1 12387740 KBCTZVLAUVPAMM-NRFANRHFSA-N 413.566 1.639 0 50 HDAA COc1ccc(CN2C(=O)N(CC(C)C)C3(CCN(CCC(N)=O)CC3)C2=O)cc1 14742279 OYEOPDUTVYKZHV-UHFFFAOYSA-N 416.522 1.825 0 50 HDAA Cc1ccccc1[C@]1(CC(=O)N2CCN(C)CC2)CC(=O)N(Cc2ccncc2)C1=O 20209705 LIRJJSFHNXXPNR-DEOSSOPVSA-N 420.513 1.751 0 50 HDAA COc1ccc(NC(=O)CN2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1 36227539 KNQDHWMHVAYJFM-UHFFFAOYSA-N 407.467 1.779 0 50 HDAA CCCS(=O)(=O)c1ncc(CN2CCC(C(=O)OC)CC2)n1C[C@H]1CCCO1 55119265 SOXQAOFHFXAOGY-QGZVFWFLSA-N 413.540 1.631 0 50 HDAA c1ccc(Cc2n[nH]c(Cn3nnnc3[C@H](c3ccccc3)N3CCOCC3)n2)cc1 65383631 KWKLAIGSMPCLEB-NRFANRHFSA-N 416.489 1.852 0 50 HDAA Cc1ccc(-c2noc(CNC(=O)[C@H]3CCCN(S(=O)(=O)N(C)C)C3)n2)cc1 67604718 FAWYNKLZCUEDHQ-HNNXBMFYSA-N 407.496 1.180 0 50 HDAA Cc1cccc(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N(C)Cc3nnc(C)o3)[C@H]4C2=O)c1 77285435 IBVCOACSJJTBTF-ZBPHCFQXSA-N 408.458 1.627 0 50 HDAA Cn1c(CCC(=O)NC[C@@H]2CCCO2)nc2cc(S(=O)(=O)N3CCCC3)ccc21 77470056 ZACXEZSMJDLNKQ-HNNXBMFYSA-N 420.535 1.586 0 50 HDAA Cc1ccc(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N3CCCN(C)CC3)[C@H]4C2=O)cc1C 77518318 REVWQCQJVKMNKM-CIEVZJJWSA-N 409.530 1.750 0 50 HDAA CCCc1ccc(S(=O)(=O)Nc2cc(C(=O)OC)ccc2S(N)(=O)=O)cc1 225395688 FYDQAQVQRPQRGM-UHFFFAOYSA-N 412.489 1.874 0 50 HDAA CSCC[C@@H](NC(=O)[C@@H](c1ccccc1)n1cnnn1)c1nnc2ccccn12 252488234 INZZMDRFKAQGLB-NVXWUHKLSA-N 408.491 1.916 0 50 HDAA CS(=O)(=O)c1ccc2ncnc(N3CCC[C@H]3C(=O)NCc3ccco3)c2c1 302638741 DMXZHOQTSOGDAI-KRWDZBQOSA-N 400.460 1.912 0 50 HDAA COc1cc(OC)cc(C(=O)N2CCC(C(=O)N[C@@H]3CCn4ccnc4C3)CC2)c1 428344230 ATWKSRBAQOIQRV-QGZVFWFLSA-N 412.490 1.884 0 50 HDAA Cc1cc(C(=O)N[C@H]2CCCN(Cc3cccs3)C2)c2c(O)nc(=O)n(C)c2n1 670454581 IMVBXOMXOVUNMF-ZDUSSCGKSA-N 413.503 1.798 0 50 HDAA CN(C)S(=O)(=O)N1C[C@@H]2CN(Cc3ccc(Cl)cc3)C[C@]2(CCC(=O)O)C1 1772817283 AYEGPYPCMNDBBU-MAUKXSAKSA-N 415.943 1.745 0 50 HDAA Cc1ccc(C(=O)NC[C@H]2CN(CC3CCN(CC4CC4)CC3)C(=O)CO2)c(C)n1 1857681066 WSSSFHYISOACOO-FQEVSTJZSA-N 414.550 1.778 0 50 HDAA COCCNC(=O)[C@@]12CCCN(Cc3cc(OC)cc(OC)c3)[C@H]1CN(C)CC2 1857686652 AWVGPOPEMGBVLQ-RBBKRZOGSA-N 405.539 1.753 0 50 HDAA COc1ccc(CN2C[C@@H]3[C@H](CNS(=O)(=O)CC(C)C)[C@H]4CC[C@]3(C2)O4)cn1 1875248046 VWUWXPWQFAVEHS-JRBPQWBISA-N 409.552 1.645 0 50 HDAA O=C(Nc1ccccc1NC1CCC1)c1cnc(N2CCS(=O)(=O)CC2)nc1 2325827477 HKXFGPZCWQIUQH-UHFFFAOYSA-N 401.492 1.928 0 50 HDAA Nc1ccc(C(=O)N[C@@H]2c3ccccc3C[C@H]2NC(=O)[C@@H]2C[C@H](F)C(=O)N2)cc1F 2325872275 PMLMCDACJSJQBK-XOYOTBSWSA-N 414.412 1.147 0 50 HDAA Cn1cnc(C(=O)N2CCC([S@](C)(=O)=NC(=O)C[C@H]3CC[C@@H](C4CC4)O3)CC2)c1 2332238912 PITGEPITVDVVHE-POEINMCQSA-N 422.551 1.997 0 50 HDAA O=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCN(c2ccccc2)CC1 908916 YFXZGYVLZMTLAL-UHFFFAOYSA-N 415.515 1.670 0 50 HDAA Cc1nccn1CC[C@H](NC(=O)Cn1nnnc1CN1CCCC1)c1ccccc1 11936409 FVDROGNXXQHQCJ-IBGZPJMESA-N 408.510 1.722 0 50 HDAA CC1CCN(Cc2nnnn2CC(=O)N2CCC[C@@H](C(=O)c3cccnc3)C2)CC1 12200766 RHKDDXFHKYAGGL-GOSISDBHSA-N 411.510 1.422 0 50 HDAA COC(=O)CN1C(=O)N(Cc2ccccc2)C2(CCN([C@@H]3CCSC3)CC2)C1=O 14532694 WYDDPHYFAJCAHS-QGZVFWFLSA-N 417.531 1.964 0 50 HDAA Cn1c(SCC(=O)Nc2ccccc2)nnc1[C@H]1CCCN(S(C)(=O)=O)C1 17088317 UNSOBHFMQHEBAQ-ZDUSSCGKSA-N 409.537 1.685 0 50 HDAA O=C(Nc1ccccc1)C1=C(NCCN2CCOCC2)c2ccccc2S1(=O)=O 19842905 CODTTWIEKVPAAI-UHFFFAOYSA-N 413.499 1.703 0 50 HDAA COc1cc(CN2CCN(C(C)C)CC2)ccc1OC[C@@H](O)CN1CCC(O)CC1 23360604 YFZINOWMKNXLDK-NRFANRHFSA-N 421.582 1.418 0 50 HDAA COCCS(=O)(=O)Cc1cccc(S(=O)(=O)N2[C@H](C(=O)O)CCC2(C)C)c1 252488013 IGXQRPLBGKUGKG-HNNXBMFYSA-N 419.521 1.264 0 50 HDAA CC(C)CNC(=O)CN1CCC(N2C[C@H](COc3ccc(F)cc3)OCC2=O)CC1 299764317 UESUSFDCDMZMRJ-HXUWFJFHSA-N 421.513 1.669 0 50 HDAA CS(=O)(=O)NC[C@H]1CCCCN1C(=O)C[C@@H]1CN(Cc2ccccc2)CCO1 468503079 WPJFNCQFFSUVBO-RTBURBONSA-N 409.552 1.208 0 50 HDAA CNS(=O)(=O)C[C@@H]1CCCN1C(=O)Nc1cc(F)c(N2CCOCC2)cc1F 494028571 LXQAWRMWDIWDRB-LBPRGKRZSA-N 418.466 1.347 0 50 HDAA CS(=O)(=O)c1ccc(S(=O)(=O)NC[C@@H]2CC(=O)N(C3CCCC3)C2)cc1 670462552 CDZDKNKIUCNIRC-ZDUSSCGKSA-N 400.522 1.160 0 50 HDAA NC(=O)COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)c3ccccn3)C2)cc1 952860173 HCLWUBSILPFKKV-CQSZACIVSA-N 403.460 1.229 0 50 HDAA CC(C)N1CCNC(=O)[C@@H]1CC(=O)Nc1ccc(NC(=O)CN2CCCCC2)cc1 952986483 IYKVEYALWZFRFL-IBGZPJMESA-N 415.538 1.648 0 50 HDAA O[C@@H]1CCCN(c2ccnc(N3CCN(c4nnc(C(F)(F)F)s4)CC3)n2)C1 1704338494 CZYPWQGVQNMZEW-LLVKDONJSA-N 415.445 1.635 0 50 HDAA Cc1nnc(S[C@@H](C(=O)Nc2ccc(S(N)(=O)=O)cc2)c2ccccc2)n1N 1772491235 YZEBMLPAPLJQKP-OAHLLOKOSA-N 418.504 1.420 0 50 HDAA Cc1ccc(CCC(=O)N2CCC([C@@H](O)CN3CCS(=O)(=O)CC3)CC2)cc1 1857731090 KBTIGAKJASDRIQ-FQEVSTJZSA-N 408.564 1.258 0 50 HDAA CC(=O)N1CC[C@](C)(C(=O)N2C[C@H]3CN(C(=O)c4cccc5cc[nH]c45)C[C@H]3C2)C1 1875360901 NHZWWLSWVKVPCG-IXFSTUDKSA-N 408.502 1.957 0 50 HDAA N=c1nn[nH]n1C1CCN(C(=O)c2cc3ccc(Br)cc3c(O)n2)CC1 2325825900 HBBODKNQBXTOJK-UHFFFAOYSA-N 418.255 1.579 0 50 HDAA CC1(C)CN2C[C@H]1CNC(=O)[C@]1(CC=CCOc3ccccc3C2=O)CNCCO1 2325894060 SFRCVCJTFMIVBZ-HXOBKFHXSA-N 413.518 1.598 0 50 HDAA CCOC(=O)C(CCCCSc1ncnc2nc[nH]c12)(NC(C)=O)C(=O)OCC 5349720 SFSSRDYVWQZPPF-UHFFFAOYSA-N 423.495 1.616 0 50 HDAA O=C(C[C@H]1C(=O)NCCN1Cc1ccc(Cl)c(F)c1)NCCc1cscn1 20232361 JIFYCXAJFNXMMN-INIZCTEOSA-N 410.902 1.985 0 50 HDAA COC(=O)c1c(NC(=O)CN2CCN3CCC[C@@H]3C2)sc(C(=O)N(C)C)c1C 23095835 YABHZRMACQNXDY-CYBMUJFWSA-N 408.524 1.263 0 50 HDAA CC(C)[C@@H](NS(C)(=O)=O)c1nnc2n1CCN(Cc1cccc(F)c1F)CC2 23339331 ZEJAFSIYQVYBCN-QGZVFWFLSA-N 413.494 1.861 0 50 HDAA Cc1nnc(CN(C)C(=O)[C@@H]2[C@@H]3C=C[C@@]4(CN(Cc5ccc(C)c(C)c5)C(=O)[C@H]24)O3)o1 77318933 PSKQIWLJMFZOGR-USKVXJDGSA-N 422.485 1.935 0 50 HDAA Cc1ccn(-c2cc(N3CCN(S(=O)(=O)c4cccc(F)c4)CC3)ncn2)n1 82230378 VULWDUPBLWPCNG-UHFFFAOYSA-N 402.455 1.621 0 50 HDAA COc1ccc(CN(C)Cc2ccoc2)cc1OC[C@@H](O)CN1CCN(C)CC1 95516813 ZUZJTPHTQDZNMF-FQEVSTJZSA-N 403.523 1.907 0 50 HDAA CCCn1c(=O)c2ccccc2n2c(SCc3nc4[nH]c(C)cc(=O)n4n3)nnc12 170595576 GVIZATDBFUISCA-UHFFFAOYSA-N 422.474 1.786 0 50 HDAA CCC(CC)c1nnc(NC(=O)[C@@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)s1 170610621 ODYYQWYHVHTJLV-KRWDZBQOSA-N 409.512 1.996 0 50 HDAA CN1CCN(C(=O)CC[C@@H]2CN(Cc3ccccc3)CC[C@@H]2N2CCOCC2)CC1 206934192 VRVCTLWREIRVOO-PKTZIBPZSA-N 414.594 1.764 0 50 HDAA O=C1N[C@@H](CC(=O)N2CCC[C@H](c3nnc4ccccn34)C2)C(=O)Nc2ccccc21 263584932 CFRCXCORASKXJQ-YOEHRIQHSA-N 418.457 1.576 0 50 HDAA biogenic Cc1nc(CC(=O)NC[C@@H]2CN(C3CCN(C4CCC4)CC3)C(=O)CO2)cs1 299756322 GNZLPKVILDKLQB-GOSISDBHSA-N 406.552 1.355 0 50 HDAA O=C(c1cnn(-c2ccccc2)n1)N1CCC[C@@H](n2ncc(N3CCC3)cc2=O)C1 328603385 GAHHEOIKEHWFGJ-QGZVFWFLSA-N 405.462 1.511 0 50 HDAA COCc1nc(-c2ccc(NC(=O)C[C@H]3NC(=O)c4ccccc4NC3=O)cc2)n[nH]1 409413202 DSMUSDZWVXVVGF-MRXNPFEDSA-N 420.429 1.697 0 50 HDAA CN(CCC(=O)N1CCN(c2nc3ccccc3s2)CC1)[C@@H]1CCS(=O)(=O)C1 823668458 RKOOQHFTKFTZQV-OAHLLOKOSA-N 422.576 1.454 0 50 HDAA CCN(CCc1nc2ccc(F)cc2[nH]1)C(=O)CCN(C)[C@@H]1CCS(=O)(=O)C1 952869804 PIMVJIGBQIEKEE-OAHLLOKOSA-N 410.515 1.602 0 50 HDAA C=CC(=O)N(CC)CC(=O)N1CCC([C@@H]2OCC[C@H]2NC(=O)OC(C)(C)C)CC1 1449777812 TUTFKLUGCPLTRD-APWZRJJASA-N 409.527 1.942 0 50 HDAA CCOCCC(=O)N1C[C@@H]2CN(Cc3cc4c(cc3Cl)OCO4)C[C@]2(CO)C1 1772706067 LQUVIRDFKCCTEW-MGPUTAFESA-N 410.898 1.748 0 50 HDAA O=C1CN(Cc2ccccn2)CCCNC(=O)c2cc(Cl)ccc2OCCN1 1857707603 FUAJYVUHIWGCTO-UHFFFAOYSA-N 402.882 1.866 0 50 HDAA CC[C@H]1[C@@H](C(=O)NCCc2cscn2)C[C@H]2CN(C(=O)c3ccc[nH]3)CC(=O)N21 1875249647 MTTZYSOSMYJXMA-ZOBUZTSGSA-N 415.519 1.282 0 50 HDAA Cc1ccc(OCC(=O)NS(=O)(=O)c2ccc(C(N)=O)cc2)c2c1[C@@H](C)CC2=O 2325702842 MTEKWEGGLGFQPW-LBPRGKRZSA-N 416.455 1.668 0 50 HDAA CCSC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)CNC(=O)c1cnc(C)[nH]1 2325872590 FGUAUKXFOKELFV-FZMZJTMJSA-N 413.544 1.599 0 50 HDAA CNC(=O)C[C@@H]1C(=O)N(Cc2ccccc2)C(=S)N1NC(=O)c1cccc(F)c1 2728161 LSIOHURZYVLRGQ-MRXNPFEDSA-N 414.462 1.605 0 50 HDAA COC(=O)c1ccccc1NC(=O)CSc1nnnn1-c1cccc(C(=O)O)c1 2867281 CHJZDMGDQRHNLU-UHFFFAOYSA-N 413.415 1.878 0 50 HDAA Cc1nc(CCNC(=O)C[C@@H]2C(=O)NCCN2CCc2ccccc2)sc1C 12206952 FSNZMRSLURUTFG-GOSISDBHSA-N 400.548 1.852 0 50 HDAA COCCn1c(CN(CCO)Cc2ccccc2)cnc1S(=O)(=O)CC1CC1 12304989 FXPQHPSCHRNJEW-UHFFFAOYSA-N 407.536 1.708 0 50 HDAA COc1ccc(CCCNC(=O)[C@H]2CCC(=O)N(CCCN3CCCC3=O)C2)cc1 12373021 WXHDVOAZQQULRT-IBGZPJMESA-N 415.534 1.995 0 50 HDAA O=C(CCCn1nnnc1CN1CCOCC1)N1CC[C@H](c2ccc(F)cc2)C1 15063600 AMFYIVMXCVYFSF-KRWDZBQOSA-N 402.474 1.441 0 50 HDAA C[C@@H](C(=O)NC[C@@H]1Cc2cc(-c3cncnc3)cc(Cl)c2O1)N1CCOCC1 19841926 GANNOISTAQGGRI-GUYCJALGSA-N 402.882 1.937 0 50 HDAA O=S(=O)(N1CCCCC1)N1CCN(C[C@@H](O)COc2ccc3c(c2)CCC3)CC1 19933005 WSVMKCZDJUTROD-HXUWFJFHSA-N 423.579 1.263 0 50 HDAA CC1=C(C(=O)Nc2ccccc2C(=O)NCCCN2CCN(C)CC2)SCCO1 20919157 TVDJYOWPFUOQFM-UHFFFAOYSA-N 418.563 1.987 0 50 HDAA CN(C)C(=O)c1nn(CC2CCCCC2)c2c1C[C@H](NCCN1CCOCC1)CC2 23353971 UDELIARPCBQGJE-LJQANCHMSA-N 417.598 1.944 0 50 HDAA CC(=O)N[C@@H](C)C(=O)N1CCc2ccc(S(=O)(=O)Nc3cc(C)on3)cc2C1 77459306 QEDIGGCGILBWON-LBPRGKRZSA-N 406.464 1.193 0 50 HDAA O=C(CCc1ccccn1)N1CC[C@H](N2CCN(c3ccccc3F)CC2)[C@@H](O)C1 207408661 ZMHXQJSSVKTMRX-VXKWHMMOSA-N 412.509 1.937 0 50 HDAA CCn1cc(NC(=O)[C@@H]2[C@H](C(=O)O)[C@H]3CC[C@H]2O3)c(C(=O)NC2CCCCC2)n1 239287351 CQJVQYISJXRVRY-LVQVYYBASA-N 404.467 1.782 0 50 HDAA COc1ccc(CCN2C(=O)[C@@H](CCC(=O)Nc3ccc(C(N)=O)cc3)N=C2O)cc1 252536341 IEXCWXWWHYKXLI-GOSISDBHSA-N 424.457 1.880 0 50 HDAA COC(=O)C[C@H](c1ccc2c(c1)n(C)c(=O)n2C)c1c(O)ncc(C(=O)OC)c1O 253623739 JJYXNFCTQFXQKF-LLVKDONJSA-N 415.402 1.165 0 50 HDAA biogenic CN(C)C(=O)c1c[nH]nc1[C@H]1CCCN(C(=O)Nc2nnc(C(F)(F)F)s2)C1 328605039 MBCOHQHHWICOCZ-QMMMGPOBSA-N 417.417 2.393 0 50 HDAA COc1ccc([C@@H]2[C@H](C(=O)NCc3c(C)noc3C)C[C@@H]3CN(C)CC(=O)N23)cc1 1857690375 JJADDZABCVVULE-HGHGUNKESA-N 412.490 1.820 0 50 HDAA Cn1cc(C(=O)N[C@H]2CC[C@@H](NC(=O)c3ccc(-n4ccnc4)cc3)C2)ccc1=O 1857704657 ARVCKHRRBGCFKR-MSOLQXFVSA-N 405.458 1.652 0 50 HDAA CC(=O)NC(C)(C)C(=O)NC[C@H]1[C@H]2CN(C(=O)CC3CCCC3)C[C@]23CC[C@H]1O3 1857712545 CVMDFUKVQZOSIT-KCXPTXFHSA-N 405.539 1.604 0 50 HDAA COc1cccc(C(=O)N2CCC(C(=O)N3C[C@H]4COC[C@@H]3CN(C)C4)CC2)c1 1857722935 QHBZWHNQQRWZJK-LPHOPBHVSA-N 401.507 1.336 0 50 HDAA O=C(NC[C@H]1CC2(CCOCC2)CN1C(=O)c1ccc2c(c1)COC2)c1cncnc1 1875361605 WNKXBCUIOIDPRS-HXUWFJFHSA-N 422.485 1.948 0 50 HDAA COc1cc(C(=O)N[C@H](C)C(=O)Nc2ncc(C(N)=O)s2)cc(OC)c1OC 2325854679 QBLBWOSGZYAASF-MRVPVSSYSA-N 408.436 1.025 0 50 HDAA CCN1C[C@@H](C(=O)N2CCCC[C@H](NC(=O)c3cccc(CO)c3)C2)CCC1=O 2325864700 XHJIKBBENOCURJ-OALUTQOASA-N 401.507 1.548 0 50 HDAA CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(Cc3ccccc3)CC2)N[C@@H]1c1ccco1 2357384 ZYZSZLFMTCDSCE-RBUKOAKNSA-N 410.474 1.804 0 50 HDAA Cc1ccc(S(=O)(=O)N2C(=O)CC[C@H]2C(=O)Nc2ccccc2C(N)=O)cc1 2856857 MMAGVSGFHROCGP-INIZCTEOSA-N 401.444 1.412 0 50 HDAA COC(=O)c1ccc(CNC(=O)C[C@H]2C(=O)NCCN2CCc2ccccc2)cc1 12750504 LVCINYULBAXGHE-FQEVSTJZSA-N 409.486 1.523 0 50 HDAA Cc1ccc(OC[C@H]2C[C@@H](C(=O)NCCN(C)C)CN(Cc3nccn3C)C2)cn1 14535948 XAPQBXMFNRIRLV-RBUKOAKNSA-N 414.554 1.318 0 50 HDAA CCNC(=O)c1nn(Cc2cccc(OC)c2)c2c1CN(Cc1noc(C)n1)CC2 14541260 DDMXKRJMMHPRQH-UHFFFAOYSA-N 410.478 1.939 0 50 HDAA O=C1N[C@H](Cc2ccc(O)cc2)C(=O)N2CCN(Cc3ccc4ncccc4c3)C[C@H]12 14754453 VFANRKCVKLMCTN-FGZHOGPDSA-N 416.481 1.694 0 50 HDAA Cc1cccc(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N(C)Cc3nc(C)c[nH]3)[C@@H]4C2=O)c1 77298611 HGHTWODDPMXQEX-YPIYEQTHSA-N 406.486 1.967 0 50 HDAA CN(C)C(=O)CNC(=O)[C@@H]1CCCN(C2CCN(C3Cc4ccccc4C3)CC2)C1 91951071 PYJAXSHSLSFCGO-HXUWFJFHSA-N 412.578 1.535 0 50 HDAA CCn1c(-c2cnccn2)nnc1S(=O)(=O)[C@H](C)C(=O)NCc1ccccc1 170617116 DGUSVNBOXHTVRZ-CYBMUJFWSA-N 400.464 1.234 0 50 HDAA COC(=O)C1=NN(C(C)(C)CC(C)=O)[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]12 227096984 WAQBFKWHYQISIX-DZGCQCFKSA-N 405.838 1.800 0 50 HDAA COc1ccc(S(=O)(=O)NC[C@H]2CC[C@H](C(=O)NCCc3c[nH]cn3)CC2)cc1 245255468 IOGNWZBOJUYTKV-WKILWMFISA-N 420.535 1.862 0 50 HDAA COCCNC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1S(=O)(=O)c1ccc2c(c1)OCCO2 253369823 ILDZMHUOYWVUTF-OIISXLGYSA-N 424.519 1.542 0 50 HDAA COC(=O)c1cnc(O)c([C@@H](CC(N)=O)c2cc3cc(OC)ccc3nc2O)c1O 253623934 UBALGWRAMVKDRG-NSHDSACASA-N 413.386 1.549 0 50 HDAA biogenic O=C(Cc1c(F)cccc1F)N1CCC[C@@H](n2ncc(N3CC[C@H](O)C3)cc2=O)C1 328602938 DGEOVRRZHDTILE-ZBFHGGJFSA-N 418.444 1.499 0 50 HDAA O=C(c1cccc2c1OCO2)N1CCC[C@@H](n2ncc(N3CC[C@H](O)C3)cc2=O)C1 328605024 LZMDXSWDXXKKEA-ZBFHGGJFSA-N 412.446 1.020 0 50 HDAA Cc1ccc(C(=O)N2CCC(C(=O)N3C[C@H](O)[C@H](Cc4cc(C)[nH]n4)C3)CC2)cc1 1704354129 SXMLVMCVVDXYMO-CTNGQTDRSA-N 410.518 1.941 0 50 HDAA O=C(c1cn(-c2ccccc2)nn1)N1C[C@H]2CN(Cc3ccns3)C[C@]2(CO)C1 1772805400 NLDWHHJRJVQXQB-FOIQADDNSA-N 410.503 1.290 0 50 HDAA O=C(Cc1cccnc1)N1C[C@H]2CN(c3nccc(C(F)(F)F)n3)C[C@]2(CO)C1 1772812815 RCRWGGBFVMOZEQ-KSSFIOAISA-N 407.396 1.390 0 50 HDAA CCOC(=O)[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CCN(C(=O)Cc1cccnc1)C2 1857689020 BSWXXMGZPMRNKJ-TXTKFYIRSA-N 415.534 1.907 0 50 HDAA Cc1c(C(=O)N2CCCC3(CCN(C(=O)c4n[nH]c(O)n4)CC3)C2)cnn1C(C)C 1875330756 BBXKHGUYFXVZJA-UHFFFAOYSA-N 415.498 1.755 0 50 HDAA CCOC(=O)C1CCN(C(=O)CN(c2ccc(OCC)cc2)S(C)(=O)=O)CC1 784304 HJILMGNAXVGTFI-UHFFFAOYSA-N 412.508 1.653 0 50 HDAA COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)N2CCOCC2)cc1OC 811739 XYFGXKGFBUPYNR-UHFFFAOYSA-N 406.460 1.977 0 50 HDAA Cc1ccc(C(=O)Nc2ccc(C(=O)O)cc2)cc1S(=O)(=O)N1CCOCC1 887988 LDBHLEOOQJYZEV-UHFFFAOYSA-N 404.444 1.966 0 50 HDAA Cn1c2c(c(=O)n(C)c1=O)[C@H](c1cc3c(cc1Br)OCO3)CC(=O)N2 4913091 FQUZIXADWRGPRH-QMMMGPOBSA-N 408.208 1.049 0 50 HDAA CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccccn3)CC2)N[C@H]1c1ccccc1 9049226 PPHWWJCJQDCCCJ-OALUTQOASA-N 407.474 1.610 0 50 HDAA CN(CC(=O)N1CCC[C@H](CNS(=O)(=O)c2cccs2)C1)Cc1ccncc1 12304171 BPZINPMYUNEKKR-QGZVFWFLSA-N 422.576 1.792 0 50 HDAA CCOc1ccccc1CN1CCNC(=O)[C@H]1CC(=O)NCC(C)(C)CN(C)C 12456351 PANOHJJGVDGEOT-GOSISDBHSA-N 404.555 1.480 0 50 HDAA CCOc1ccccc1CN1CCNC(=O)[C@@H]1CC(=O)N(C)Cc1nonc1C 12755733 ZTKILRWVXUUZAJ-KRWDZBQOSA-N 401.467 1.126 0 50 HDAA COc1ccc(S(=O)(=O)N2CCN(c3ccc(-n4ccc(C)n4)nn3)CC2)cc1 13009292 PGZWDNSFHIDOBE-UHFFFAOYSA-N 414.491 1.490 0 50 HDAA O=C1N[C@@H](Cc2c[nH]cn2)C(=O)N2CCN(C(=O)c3cc(Cl)cc(Cl)c3)C[C@H]12 14531086 WBXPBEJLUIVHSG-LSDHHAIUSA-N 422.272 1.111 0 50 HDAA COC(=O)c1ccccc1C(=O)N1CCC[C@@H](CCC(=O)N2CCN(C)CC2)C1 20453926 PJMLNROQJHJPSP-KRWDZBQOSA-N 401.507 1.880 0 50 HDAA COc1ccc(CN2CCC(CCO)CC2)cc1OC[C@@H](O)CN1CCN(C)CC1 23375370 NEMIYFIDGWWJDF-NRFANRHFSA-N 421.582 1.277 0 50 HDAA CN1CCN(S(=O)(=O)c2ccc(NC(=S)NC(=O)c3cccs3)cc2)CC1 35877346 TWCJBNCZOOKIIX-UHFFFAOYSA-N 424.573 1.811 0 50 HDAA Cc1noc(C)c1CN(C)C(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(Cc4cccnc4)C(=O)[C@@H]13)O2 77388774 BIXCEGBBKVOWQT-JYLXEMOASA-N 408.458 1.627 0 50 HDAA CCC[C@H](N)C(=O)N1CCc2ccc(S(=O)(=O)Nc3nnc(C)s3)cc2C1 77537897 WUEFKFTZJAABNL-HNNXBMFYSA-N 409.537 1.659 0 50 HDAA CCN1C[C@@]2(COC)CC[C@H](OC)[C@@]34[C@H]2C[C@@H]([C@@H]13)[C@]1(O)C[C@@H](OC)[C@@H]2C[C@@H]4[C@@H]1[C@@H]2O 249681033 BDCURAWBZJMFIK-LWPPJKQVSA-N 421.578 1.531 0 50 HDAA biogenic Cc1noc(C)c1CN1CCN(C(=O)CC2(Cn3cnnn3)CCCCC2)CC1 888103927 LNUMSBYPCGCCEU-UHFFFAOYSA-N 401.515 1.963 0 50 HDAA O=C(O)CC[C@@]12CN(Cc3ccccc3F)C[C@H]1CN(C(=O)c1n[nH]c(O)n1)C2 1772818895 NAERRNLODLCWPG-DJJJIMSYSA-N 403.414 1.088 0 50 HDAA O=C(Nc1nnc(CCN2CCOCC2)s1)[C@H]1CCCN(c2ccccn2)C1 1875246635 DIBLORPLBPLALY-HNNXBMFYSA-N 402.524 1.663 0 50 HDAA Cc1cc(C)n(C[C@@H](C)NC(=O)COCC(=O)N[C@H](C)Cn2nc(C)cc2C)n1 2325721731 QQMZBKLUWWZKQP-HZPDHXFCSA-N 404.515 1.039 0 50 HDAA COc1cc2c(cc1F)CN(C(=O)c1ccc3c(c1)S(=O)(=O)N(C)C3=O)CC2 2325726352 NCAQLOSXXFKLFO-UHFFFAOYSA-N 404.419 1.807 0 50 HDAA COCc1nocc1CNS(=O)(=O)c1cc2nc(O)[nH]c2cc1Br 2325825141 GIXGCQHLWISNOD-UHFFFAOYSA-N 417.241 1.644 0 50 HDAA O=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCN(c2ccccn2)CC1 4276238 FYQQXRVQVPFVEC-UHFFFAOYSA-N 416.503 1.065 0 50 HDAA COc1cc(CNCCCn2ccnc2C)ccc1OC[C@H](O)CN1CCOCC1 11820106 HCEWJZQTHOYOCF-HXUWFJFHSA-N 418.538 1.452 0 50 HDAA Cc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NCCCn2nnc3ccccc32)cc1 12756580 NWSPXBNNBNAGRB-NRFANRHFSA-N 420.517 1.637 0 50 HDAA CCOC(=O)CC1(NC(=O)C[C@H]2C(=O)NCCN2Cc2cccnc2)CCCCC1 14980976 DCHGCADWTCUNKL-SFHVURJKSA-N 416.522 1.544 0 50 HDAA COc1ccc(CNCCc2ccco2)cc1OC[C@H](O)CN1CCCN(C)CC1 23375092 WIBRQKCZKMEIDH-HXUWFJFHSA-N 417.550 1.998 0 50 HDAA CCOC(=O)[C@H](CC1=CN[C@H]2C=CC=C[C@H]12)NC(=O)CN1C(=O)c2ccccc2C1=O 100297215 WVOFZQZADYCTOA-MNEFBYGVSA-N 421.453 1.319 0 50 HDAA CC(C)CCNC(=O)c1ccc(CN2C(=O)NC3(CCS(=O)(=O)CC3)C2=O)cc1 169772499 GPYBQERSDRHXFK-UHFFFAOYSA-N 421.519 1.462 0 50 HDAA CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCCC(=O)Nc1ccc2oc(=O)[nH]c2c1 170595316 OJQOJEADDLHKPH-AWEZNQCLSA-N 418.450 1.965 0 50 HDAA O=C1[C@@H]2[C@@H](C(=O)N1c1cccnc1)[C@H]1C=C[C@@H]2[C@H]2C(=O)N(c3cccnc3)C(=O)[C@@H]12 244741903 NYRYURCICOJXHW-MULDDASSSA-N 400.394 1.204 0 50 HDAA CCN1C[C@@]2(COC)CC[C@H](OC)[C@@]34[C@H]2C[C@@H]([C@@H]13)[C@@]1(O)C[C@@H](OC)[C@@H]2C[C@@H]4[C@@H]1[C@H]2O 249681029 BDCURAWBZJMFIK-JQIONWSMSA-N 421.578 1.531 0 50 HDAA biogenic Nc1ncccc1CN1C[C@H]2CN(C(=O)c3ccc4ncsc4c3)C[C@@]2(CO)C1 1772806113 ZDJXCGAMBXLSCV-HRAATJIYSA-N 409.515 1.840 0 50 HDAA CCOC(=O)[C@@]12CC[C@H](N3CCOCC3)C[C@H]1CCN(c1nccc(OC)n1)C2 1857694729 IRRCCTWFSJUFJY-LLGFUMIMSA-N 404.511 1.746 0 50 HDAA COc1ccccc1[C@@H](NC(=O)CCn1cnc2c(cnn2C)c1=O)c1ccccn1 1875254003 CJBLDSOJLBZDQJ-HXUWFJFHSA-N 418.457 1.830 0 50 HDAA O=C(Cc1ccccc1O)N1CCC2(CCc3c(O)nc(N4CCOCC4)nc32)CC1 1940196189 QJPFYXUBIMEBRR-UHFFFAOYSA-N 424.501 1.774 0 50 HDAA COc1cc(C)ccc1CNC(=O)c1ccc2c(c1)CN([C@H]1CCC(=O)NC1=O)C2=O 2325886595 BMOZSRSRORJPHK-SFHVURJKSA-N 421.453 1.695 0 50 HDAA COc1cc2[nH]c(=S)n(CCc3ccc(S(N)(=O)=O)cc3)c(=O)c2cc1OC 2330918 LDICHMWNCGARIC-UHFFFAOYSA-N 421.500 1.966 0 50 HDAA CC[C@@H](C)NC(=O)c1ccccc1NC(=O)C1CCN(S(=O)(=O)N(C)C)CC1 10433833 GQOIPSUAESPBCH-CQSZACIVSA-N 410.540 1.672 0 50 HDAA CCn1nc(C(=O)N2CCN(C)CC2)c2c1CC[C@@H](NC1Cc3ccccc3C1)C2 14733660 ZFAFIVOWJHVIBF-LJQANCHMSA-N 407.562 1.905 0 50 HDAA COc1cccc(CN[C@H]2C[C@H]3C(=O)N[C@@H](COCc4ccccc4)C(=O)N3C2)c1 14741734 OQQSUHMHGANRKR-JBACZVJFSA-N 409.486 1.470 0 50 HDAA CSc1ccc(S(=O)(=O)NCc2cccnc2)cc1C(=O)N1CCOCC1 16624362 AKQAOUQLXZBMOT-UHFFFAOYSA-N 407.517 1.754 0 50 HDAA COC(=O)CNC(=O)C[C@H]1C(=O)NCCN1Cc1cccc(Oc2ccccc2)c1 55211170 LVBFXBSQCPQWEK-IBGZPJMESA-N 411.458 1.459 0 50 HDAA CC(C)c1ccc(N2C[C@]34C=C[C@H](O3)[C@H](C(=O)N3CCNC(=O)CC3)[C@@H]4C2=O)cc1 77426756 QIMIJLXKHDAPTN-YPIYEQTHSA-N 409.486 1.445 0 50 HDAA CN(C[C@H]1CCCN(CCc2ccccc2F)C1)C(=O)Cc1c[nH]c(=O)[nH]c1=O 95497055 FLEXGTLVWPKJAG-OAHLLOKOSA-N 402.470 1.158 0 50 HDAA Cc1nc(S[C@H](C)C(=O)N[C@H]2CCS(=O)(=O)C2)n(C[C@H]2CCCO2)c1C 241653370 PUNLMFQVCVRNTD-QLFBSQMISA-N 401.554 1.463 0 50 HDAA COC(=O)c1cnc(O)c([C@H](CC(N)=O)c2cc(OC)c(OC)c(OC)c2)c1O 253623865 RJVSWRQUJZCHKK-SNVBAGLBSA-N 406.391 1.313 0 50 HDAA biogenic O=C(Nc1ccn(CC(=O)N2CCOCC2)n1)c1cc(OCc2ccccc2)ccn1 742684915 ZJIUPGWOTOSTEH-UHFFFAOYSA-N 421.457 1.968 0 50 HDAA COc1ccc([C@@H]2[C@@H](CO)OCCN2C(=O)CCN2CCCCCC2=O)cc1OC 1529172448 HVEQEKGPTYVISK-DENIHFKCSA-N 420.506 1.757 0 50 HDAA COc1cc(CN2C[C@H]3CN(C(=O)c4cccc(O)n4)C[C@]3(CO)C2)ccc1F 1772804422 OVMDYCFSKCUKQA-BTYIYWSLSA-N 401.438 1.501 0 50 HDAA Cn1cnc(C(=O)N2CCC[C@H](c3nc(C4CCOCC4)nn3CCO)CC2)c1 1772809047 KSDJCZDTHGOAFF-INIZCTEOSA-N 402.499 1.308 0 50 HDAA Cc1cc(C)n(CCC(=O)N2C[C@@H]3CN(C(=O)c4csc(C)n4)C[C@]3(CO)C2)n1 1772811964 CNYNDWBHNYMNKD-UZLBHIALSA-N 417.535 1.248 0 50 HDAA Cc1cc(C(=O)N2CCCNC(=O)c3cc(Cl)ccc3OCCNC(=O)C2)no1 1857700895 ARVIZPWLLDTODL-UHFFFAOYSA-N 420.853 1.407 0 50 HDAA COCC(=O)N[C@@H]1CN2CCCC[C@@]2(C(=O)NCc2ccccc2-n2cccn2)C1 1875246059 YCNBSEBNMDOWEW-AVRDEDQJSA-N 411.506 1.248 0 50 HDAA CCCCOc1ccc(C(=O)NC[C@]2(c3nccn3C)NC(=O)NC2=O)c(Cl)c1 1875273539 HTBWOAHHWQHGGV-LJQANCHMSA-N 419.869 1.717 0 50 HDAA CNC(=O)CN(CC1CCN(C(=O)OC)CC1)C(=O)Cc1c(OC)cccc1OC 1875304039 XTDVPEBUJXSJCK-UHFFFAOYSA-N 421.494 1.299 0 50 HDAA CO[C@@H]1CN(C(=O)c2cccc(-n3cc(C(C)(C)N(C)C)nn3)c2)[C@@](C)(C(=O)O)C1 1875354269 SNAANOKNJZHASR-HRAATJIYSA-N 415.494 1.768 0 50 HDAA CCN1CCC[C@H](n2cc([C@H]3CCN(C(=O)c4ccc5c(c4)C(=O)NC5)C3)nn2)C1=O 1875359697 MXTMWQMCGWDDNF-LPHOPBHVSA-N 422.489 1.335 0 50 HDAA C[C@@H](C(=O)N=c1nc2nccc(C3CC3)n2[nH]1)N(c1ccccc1)S(C)(=O)=O 2356163338 YTKWCKZALJHROA-LBPRGKRZSA-N 400.464 1.217 0 50 HDAA Cc1nn(-c2ccc(F)cc2)c(C)c1CNC(=O)C[C@H]1C(=O)NCCN1C(C)C 12574879 CHYNSLXNUAAXEM-IBGZPJMESA-N 401.486 1.843 0 50 HDAA CSCCNC(=O)c1ccc(OC2CCN(S(=O)(=O)N(C)C)CC2)cc1 12725642 PNLFYMOVNRURNU-UHFFFAOYSA-N 401.554 1.429 0 50 HDAA CCCn1nc(C(=O)N2CCOCC2)c2c1CC[C@H](NCC1(O)CCCCC1)C2 14745145 QVRTWKZVLPXNQZ-KRWDZBQOSA-N 404.555 1.908 0 50 HDAA COc1cccc(CN2CCC(CCO)CC2)c1OC[C@@H](O)CN1CCOCC1 39379716 SGUPQHRCOCGMJX-FQEVSTJZSA-N 408.539 1.362 0 50 HDAA O=C(C[C@H]1C(=O)NCCN1Cc1cccs1)NCc1ccc(-n2cncn2)cc1 55042185 MNKRNRHVTLMTCB-SFHVURJKSA-N 410.503 1.336 0 50 HDAA Cc1ccc(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N(C)CCn3cccn3)[C@H]4C2=O)cc1C 77489495 RZVGNSFRSWLEJX-XARGGIHNSA-N 420.513 1.941 0 50 HDAA O=C(CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)OCC(=O)c1ccc(Br)cc1 101889485 JYKUGGCJZPTERA-IYVPYFHTSA-N 418.243 1.982 0 50 HDAA O=C(C[C@@H]1NC(=O)N(Cc2cccc(F)c2)C1=O)Nc1ccc(Cn2cncn2)cc1 170625583 DCGAVINHSZBMRN-SFHVURJKSA-N 422.420 1.915 0 50 HDAA O=c1c(Cl)c(N2CC[C@@H](CO)[C@@H](O)C2)cnn1-c1ccc(C(F)(F)F)cn1 225405441 RMCIGXNUIHHTIK-CABZTGNLSA-N 404.776 1.479 0 50 HDAA O=C(Cc1ccncc1)NC[C@@H]1CN(CC2CCN(CC3CC3)CC2)C(=O)CO1 299790009 AFQUTORKNDNMAA-HXUWFJFHSA-N 400.523 1.090 0 50 HDAA CC(C)Cc1noc(CN2CCC[C@H](n3ncc(N4CCN(C)CC4)cc3=O)C2)n1 328602207 ATRBWYFSESIFBH-KRWDZBQOSA-N 415.542 1.414 0 50 HDAA COC(=O)C[C@@]1(NC(=O)[C@@H](Cc2c[nH]c3cc(F)ccc23)NC(C)=O)CCOC1 464441544 ZGCLJEGNRKQWHY-XLIONFOSSA-N 405.426 1.193 0 50 HDAA CNc1cc(N2CCC[C@@H]2CNC(=O)NCCN2CCc3sccc3C2)ncn1 465759365 RCFRRLLZWLIVPC-MRXNPFEDSA-N 415.567 1.906 0 50 HDAA Cc1noc(-c2ccnc(N3CCCN(S(=O)(=O)N4CCCCC4)CC3)c2)n1 1529145551 COHPIMXOGJPETN-UHFFFAOYSA-N 406.512 1.683 0 50 HDAA O=C1[C@@H](NS(=O)(=O)N2CC3CC2C3)CCN1c1cccc(OC(F)(F)F)c1 1857527508 BSQJXXOLSPHSSU-OVGLSYRBSA-N 405.398 1.619 0 50 HDAA O=C1C[C@H]2[C@H](CCN2C(=O)c2cc(N3CCOCC3)no2)N1CC1=CCCCC1 1857696180 QGNJPTCEJYRHFL-IRXDYDNUSA-N 400.479 1.827 0 50 HDAA Cc1nc(C2CCN(C(=O)[C@H]3CC(=O)N(c4nnc(C(C)C)s4)C3)CC2)n[nH]1 1857719391 JZQDXKYHIJQBKZ-ZDUSSCGKSA-N 403.512 1.847 0 50 HDAA O=C(N1CCc2n[nH]cc2C1)C12CCC(C(=O)N3CCc4n[nH]cc4C3)(CC1)CC2 2325750134 WGZWECRIMMOAJP-UHFFFAOYSA-N 408.506 1.943 0 50 HDAA COc1ccc(-c2nnc3n(Cc4ccccc4)c4c(=O)[nH]c(=O)n(C)c4n23)cc1 10964735 MGYWALOZZZZZEM-UHFFFAOYSA-N 402.414 1.795 0 50 HDAA Cc1nnc2ccc(SCC(=O)N(Cc3ccccc3)C[C@@H]3CCC(=O)N3)nn12 11999468 YAMLFPCCGGXLGB-INIZCTEOSA-N 410.503 1.832 0 50 HDAA O=C1CN(C(=O)[C@@H]2CCOC2)C[C@H](OCc2ccccc2)CN1Cc1cccnc1 14742840 PXKGLAJADNSVEV-NHCUHLMSSA-N 409.486 1.874 0 50 HDAA CCn1c(CN2CCOCC2)nnc1SCC(=O)Nc1ccc2c(c1)OCO2 19799551 HZVHUQVMNGQJLS-UHFFFAOYSA-N 405.480 1.590 0 50 HDAA CCOC(=O)c1sc(NC(=O)CSC(=S)N2CCN(C)CC2)nc1C 19831694 HMVVMQISXKYMSO-UHFFFAOYSA-N 402.567 1.832 0 50 HDAA O=C(COc1cccnc1)N1CCC(N2CCC[C@H](C(=O)N3CCCC3)C2)CC1 71613697 PYYCUHDYWHRSDE-SFHVURJKSA-N 400.523 1.786 0 50 HDAA O=C(CCCn1cnnn1)N1CC[C@@H]2[C@@H](CCC(=O)N2CCc2cccs2)C1 72438141 HDBYKAWYLNVRTF-DOTOQJQBSA-N 402.524 1.597 0 50 HDAA COc1cc(C)c(S(=O)(=O)NCCNc2ccc(-n3ccc(C)n3)nn2)cc1C 82230570 JCXFYOCXEBGWQN-UHFFFAOYSA-N 416.507 1.987 0 50 HDAA COc1ccc(C)cc1C(=O)N1CC[C@H](N2CCN(C)CC2)[C@H](CCC(=O)O)C1 95359176 JFKQXVHZUMTDAK-MJGOQNOKSA-N 403.523 1.947 0 50 HDAA COc1ccc(CNC(=O)C[C@H]2NC(=O)N(CCc3ccccc3)C2=O)cc1OC 206240525 ANZXZVSCQLXAQL-QGZVFWFLSA-N 411.458 1.873 0 50 HDAA C[Si](C)(C)CCCNS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 225548935 GJRKAWWLAXDHFM-UHFFFAOYSA-N 420.629 1.714 0 50 HDAA CCOC(=O)N1CCN(C(=O)CC[C@H]2N=C(O)N(Cc3cccc(F)c3)C2=O)CC1 252571003 XNSCKGKQZBRMAP-MRXNPFEDSA-N 420.441 1.531 0 50 HDAA CCc1cc(N2CCC(NC(=O)CN3C(=O)[C@H](C)Oc4ccccc43)CC2)ncn1 480134138 FLUNNXDQPSPVIJ-HNNXBMFYSA-N 409.490 1.938 0 50 HDAA Cc1cc(CC(=O)NCC2CCN(C(=O)Cc3c(C)nc(C)nc3O)CC2)on1 827861887 ZUAHBAJMVFAOSW-UHFFFAOYSA-N 401.467 1.235 0 50 HDAA Cc1ncc2c(n1)[C@]1(CCCN(C(=O)c3cc(S(N)(=O)=O)ccc3C)C1)CC2 1704339857 OWMCBPUGHQBJON-HXUWFJFHSA-N 400.504 1.861 0 50 HDAA Cc1c(C(=O)N2C[C@H]3CN(C(=O)CC(C)C)C[C@]3(CO)C2)[nH]c2c1C(=O)CCC2 1772813362 YPPGJOSIRXSDNR-IVZQSRNASA-N 401.507 1.781 0 50 HDAA O=C([C@@H]1C[C@@H]2CN(Cc3cnc[nH]3)CC(=O)N2[C@@H]1c1ccccc1)N1CCOCC1 1857689435 DGRLHSJPICMYBA-SFHLNBCPSA-N 409.490 1.043 0 50 HDAA O=C(CN1CCOC1=O)N[C@@H]1CCC[C@@H](NC(=O)c2ccccc2-n2cccn2)C1 1857702752 BPTGRUNBKJMXLC-HZPDHXFCSA-N 411.462 1.482 0 50 HDAA Cc1[nH]nc(C(=O)NC[C@H]2CCN(C(=O)c3cc4n(n3)CCCC4)C[C@@H]2C)c1O 2325824063 NWBROAKZFOZVFG-GXTWGEPZSA-N 400.483 1.485 0 50 HDAA Cc1cc(S(=O)(=O)NC(=O)[C@H]2CNCCC2(F)F)sc1Br 2325852648 NTDHBGNBJDRAAU-SSDOTTSWSA-N 403.270 1.869 0 50 HDAA CN(CCCN1CCCCC1)C(=O)C[C@@H]1C(=O)NCCN1Cc1cccc(F)c1F 11768628 XKSLXFMUGINORL-LJQANCHMSA-N 422.520 1.990 0 50 HDAA COC[C@H](C)NC(=O)c1ccc(OC2CCN(S(C)(=O)=O)CC2)c(Cl)c1 12385255 YUIQKCFSGVZLSH-LBPRGKRZSA-N 404.916 1.908 0 50 HDAA CCN1CCN(C(=O)C2CCN(S(=O)(=O)CCCc3ccccc3)CC2)CC1 16648899 XYHUOYSHKIPPIA-UHFFFAOYSA-N 407.580 1.825 0 50 HDAA O=C(N[C@H]1CCS(=O)(=O)C1)c1ccc(-c2ccsc2)nc1N1CCOCC1 19743713 GOJDBDWZMQTDQY-AWEZNQCLSA-N 407.517 1.564 0 50 HDAA CCN1CCN(C[C@H](O)COc2cccc(CNCCn3nc(C)cc3C)c2)CC1 20783807 NQHPBQLKBHFGRF-QFIPXVFZSA-N 415.582 1.667 0 50 HDAA COc1ccc(N2C(=O)c3cccc4c(NC(CO)(CO)CO)ccc(c34)C2=O)cc1 23550172 UJFATNJEVJULRQ-UHFFFAOYSA-N 422.437 1.777 0 50 HDAA COc1cccc(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N3CCSCC3)[C@H]4C2=O)c1 77458581 JIXMHDUQGQXGAA-NYUBLWNDSA-N 400.500 1.553 0 50 HDAA O=C([C@@H]1CC(=O)N(c2n[nH]c3ccccc23)C1)N1CCN(CCc2ccncc2)CC1 169772834 QOPSSOKORBTFTJ-GOSISDBHSA-N 418.501 1.698 0 50 HDAA CC(C)c1nsc(N2CCC[C@@H](n3ncc(N4CCN(C)CC4)cc3=O)C2)n1 328606559 RYZHOWOWGHNLCR-OAHLLOKOSA-N 403.556 1.812 0 50 HDAA Cc1ccccc1-n1cc(CN(C)c2cncc(C(=O)N3CCN(C)CC3)n2)cn1 1506417670 KNLCDLSSLKAVSF-UHFFFAOYSA-N 405.506 1.995 0 50 HDAA CC[C@@H]1[C@H](C(=O)NCCc2cscn2)C[C@@H]2CN(Cc3nccn3C)CC(=O)N21 1857686759 GJDBNACHQJKONH-BRWVUGGUSA-N 416.551 1.047 0 50 HDAA CS(=O)(=O)N1CCc2ncc(CNC(=O)c3ccc4scnc4c3)cc2C1 1875248535 WKIHILNAEUZOKU-UHFFFAOYSA-N 402.501 1.939 0 50 HDAA CC[C@H](C(=O)N=[S@@]1(=O)CCCN(C(=O)[C@@H]2CC2(F)F)CC1)N1CCCC1=O 2332239071 VKGQULLRXCQXTM-HWOJOUQTSA-N 405.467 1.270 0 50 HDAA Cc1nc(C)c(C(=O)N=[S@]2(=O)CCCN(C(=O)[C@]3(F)CCOC3)CC2)s1 2332239114 XCDMRFUJOXPTAM-QMTYFTJSSA-N 403.501 1.729 0 50 HDAA N=c1nn[nH]n1CC(=O)N1C[C@@H]2C[C@H](C1)[C@@H]1CCCCN1[C@H]2Cc1cccc(F)c1 2356146751 SYJUTQPFMUCUOR-NEPXVJNWSA-N 413.501 1.169 0 50 HDAA O=C(c1cc2c(s1)C1(CCNCC1)OCC2)N1C[C@@H](O)[C@H](Cc2ccncc2)C1 2356159253 SERQXSSFYXTPCX-QZTJIDSGSA-N 413.543 1.970 0 50 HDAA O=S1(=O)CC[C@@H](S(=O)(=O)N2CCC3(CC2)OCCc2c3[nH]c3ccccc23)C1 2356169769 ZEHBSVABEVTLJX-CQSZACIVSA-N 424.544 1.549 0 50 HDAA CCCc1cc(CN(C)C(=O)C[C@@H]2C(=O)NCCN2Cc2cccc(OC)c2)n[nH]1 11662606 MLUIJSXEUGCTSM-HXUWFJFHSA-N 413.522 1.720 0 50 HDAA COCCC(=O)N[C@H](C)c1nnc2n1CCN(Cc1cccc(OC)c1OC)CC2 12034383 ZPMMAGVXNQXIAW-OAHLLOKOSA-N 417.510 1.567 0 50 HDAA CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NCCc3ccccc3)c2)CC1 12379413 DWNQPSNSSMJROR-UHFFFAOYSA-N 415.515 1.512 0 50 HDAA O=C(C[C@H]1C(=O)NCCN1Cc1ccc(Cl)c(F)c1)NCC1(O)CCCCC1 20541521 JAEAMYFCOSGEML-KRWDZBQOSA-N 411.905 1.981 0 50 HDAA CN1CCN([C@@H]2CCN(Cc3cnc(-c4ccc(Cl)cc4)nc3)C[C@H]2O)CC1 23374702 XAFWSGFRKJGWCP-WOJBJXKFSA-N 401.942 1.980 0 50 HDAA Cn1c(=O)c2c(nc(Nc3ccccc3)n2CC(=O)Nc2ccccc2)n(C)c1=O 51195648 ZKAGABWBCJMWJC-UHFFFAOYSA-N 404.430 1.816 0 50 HDAA O=C(c1cnn2cccnc12)N1CCC(N2CCC[C@H](C(=O)N3CCCC3)C2)CC1 71759130 OOUKNFWJUHXDTM-KRWDZBQOSA-N 410.522 1.668 0 50 HDAA CCN(Cc1noc(C)n1)C(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(Cc4cccnc4)C(=O)[C@H]13)O2 77323067 ZRUVZHMWPKHMTB-DKXUYOFUSA-N 409.446 1.104 0 50 HDAA CCOCCC(=O)N1CCc2cc(S(=O)(=O)NC[C@@H]3CCCN(C)C3)ccc2C1 77459636 NLYKEFCMCBCNFN-KRWDZBQOSA-N 423.579 1.618 0 50 HDAA COC(=O)c1cn(-c2ccc3c(c2)C(=O)N2CCC[C@@H]2C(=O)N3)cc2c(O)nnc1-2 409414084 NONQODDVDMZAAE-OAHLLOKOSA-N 407.386 1.421 0 50 HDAA COc1ccc2nc(CNC(=O)C3CCN([C@@H]4CCS(=O)(=O)C4)CC3)[nH]c2c1 670438864 AGIYLPUUTXCMOZ-CQSZACIVSA-N 406.508 1.087 0 50 HDAA CC(=O)N[C@@]1(C)CC2(CCN(Cc3noc(-c4ccccc4)n3)CC2)OC[C@@H]1O 1772709321 OFXPPXTYXJDFAP-PXNSSMCTSA-N 400.479 1.747 0 50 HDAA COc1ccccc1CNC(=O)CN1C[C@H]2CN(Cc3nccs3)C[C@@]2(CO)C1 1772809476 BWFJLALMBGMEMU-LAUBAEHRSA-N 416.547 1.194 0 50 HDAA O=C(CO)N1CCC2(CCc3c2nc(-c2ccccc2)[nH]c3=NC[C@@H]2CCOC2)CC1 1857688622 UBEAYYWJNUVANY-KRWDZBQOSA-N 422.529 1.813 0 50 HDAA CCOC(=O)c1coc(N2CC[C@H](O)[C@H](NC(=O)CCOc3ccccc3)C2)n1 1857698491 UPQHROGTEWDKID-WBVHZDCISA-N 403.435 1.376 0 50 HDAA Cc1cc(=O)c(O)c(C2(CC(=O)NC[C@@H](C)O)CCN(C(=O)OC(C)(C)C)CC2)o1 2049513331 AQRUGHWGHQAWRG-CYBMUJFWSA-N 424.494 1.810 0 50 HDAA COC(=O)c1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 1117319 NMUIEZNQCJCVHO-UHFFFAOYSA-N 422.459 1.750 0 50 HDAA CN(CCn1cc(C(=O)N2CCCCC2)nn1)S(=O)(=O)/C=C/c1ccccc1 11974639 YJXFYBUMEWQHPY-XNTDXEJSSA-N 403.508 1.837 0 50 HDAA C[C@@H](NS(=O)(=O)c1ccccc1)C(=O)N1CCC[C@@H](c2nnc3ccccn23)C1 12408529 BBTZLMCMRZMSAZ-HZPDHXFCSA-N 413.503 1.802 0 50 HDAA Cc1ccc(NC(=O)Cc2nnc(SCC(=O)N3CCOCC3)n2C)cc1Cl 13955846 MYCRVMFJIYXECJ-UHFFFAOYSA-N 423.926 1.909 0 50 HDAA CCOc1ccccc1CN1CCNC(=O)[C@@H]1CC(=O)N(C)Cc1cn(C)nc1C 14965988 ZEVSCXOGYFCFMY-IBGZPJMESA-N 413.522 1.476 0 50 HDAA COC(=O)[C@@H](NC(=O)c1ccccc1OC1CCN(S(C)(=O)=O)CC1)C(C)C 15075980 QEQTXRCGXVDXDG-KRWDZBQOSA-N 412.508 1.417 0 50 HDAA CCCNC(=O)c1cc(S(=O)(=O)N2CCN(c3ccccn3)CC2)ccc1OC 16626275 JKXPRFIOCICJIY-UHFFFAOYSA-N 418.519 1.741 0 50 HDAA NC(=O)C1(N2CCCCC2)CCN([C@@H]2CC(=O)N(c3ccccc3Cl)C2=O)CC1 18286168 OJNZTQNJZNCFET-QGZVFWFLSA-N 418.925 1.778 0 50 HDAA COc1ccc(CN(C)C2CCOCC2)cc1OC[C@@H](O)CN1CCCN(C)CC1 19223127 YMCLIFIAEGWDKH-NRFANRHFSA-N 421.582 1.683 0 50 HDAA COC(=O)CC1CCN(C(=O)C[C@@H]2NC(=O)N(c3ccc(OC)cc3)C2=O)CC1 253412963 SPNUHCJIYWJTNF-INIZCTEOSA-N 403.435 1.312 0 50 HDAA COCCc1noc(CN2C(=O)N[C@@H](c3ccc(OC)cc3)C3=C2COC3=O)n1 263619335 YERVJXRMVPJMNV-KRWDZBQOSA-N 400.391 1.345 0 50 HDAA O=C(NCCc1cnc[nH]1)[C@@H](Cc1ccccc1)n1c(O)nc2ccccc2c1=O 409413677 KBMJHAHKABQLDW-LJQANCHMSA-N 403.442 1.968 0 50 HDAA CNC(=O)[C@H]1Cc2ccccc2CN1C(=O)CC[C@H]1NC(=O)N(c2ccccc2)C1=O 409415043 RWRFPYOBHXNKLK-RTBURBONSA-N 420.469 1.591 0 50 HDAA CC(C)c1cc(CN2CCOC3(CCN(CCn4cnnc4)CC3)CC2=O)no1 1857683512 HVBKGURCEZAUHZ-UHFFFAOYSA-N 402.499 1.673 0 50 HDAA COc1ccc(CCCN2C(=O)C[C@H]3[C@@H]2CCN3C(=O)c2ccc(=O)n(C)c2)cc1 1857702907 TURHGYVSXUGTFO-PMACEKPBSA-N 409.486 1.842 0 50 HDAA O=C(c1ccc(F)c(O)c1)N1CCO[C@@H](CN2CCOCC2)[C@@H]1c1cccnc1 1857714726 JCESKFOYANZLPX-PMACEKPBSA-N 401.438 1.841 0 50 HDAA COC(=O)[C@H]1C[C@H]2CN(C(=O)[C@H]3CC[C@@H](O)CC3)CC(=O)N2[C@H]1c1ccccc1 1857728393 ZLYSGRPLJBONBC-JNIAIEOXSA-N 400.475 1.511 0 50 HDAA Cc1nccc(-c2nccn2C[C@@H]2CN(CC3CCN(CC4CC4)CC3)C(=O)CO2)n1 1857741499 VTECRKYCIJVPJI-HXUWFJFHSA-N 424.549 1.998 0 50 HDAA COC(=O)c1cc2c(=N[C@@H](C)CCNC(=O)[C@@H]3CC(C)(C)CN3C)nc[nH]c2[nH]1 1875327909 PHAKJIAMWUBDRG-WFASDCNBSA-N 402.499 1.203 0 50 HDAA CN(CCO)C[C@@H]1[C@@H](c2ccccc2)[C@]12CN(Cc1cccc3ccnn13)C[C@@H]2O 2100483212 BBTGMKRZFOXMIR-UEQSERJNSA-N 406.530 1.835 0 50 HDAA O=C(c1nc2ncccn2n1)N1CCC[C@]12CCCN(CCc1ccccc1)C2=O 2100537321 MRBKEYARRSUUBX-QFIPXVFZSA-N 404.474 1.964 0 50 HDAA OC[C@@H]1CCCN1C[C@@H]1CCCN1CCCN1CCC[C@@H]1CN1CCC[C@H]1CO 2325714028 NHBMCRSDVUFETA-BJESRGMDSA-N 408.631 1.219 0 50 HDAA CCOC(=O)CN(C)S(=O)(=O)NC(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1 2325819772 POEYJEKWBGTUNQ-QWHCGFSZSA-N 419.297 1.409 0 50 HDAA C[C@H](c1ccccc1)N1C[C@@H](C(=O)NS(=O)(=O)c2cnc3ccccn23)CC1=O 2325819807 QGNZFDOORBPTIY-ZBFHGGJFSA-N 412.471 1.749 0 50 HDAA O=C(N[C@H]1CCCC[C@@H]1NC(=O)[C@]12C[C@H]1Cc1c[nH]nc12)c1cc2c[nH]cnc-2n1 2325872713 KRJKTYVGSSJZKY-FEGUVQJSSA-N 405.462 1.304 0 50 HDAA CCn1c(=O)c2cc(OC)c(OC)cc2n(CC(=O)Nc2ccccc2OC)c1=O 6759596 CSSIWTJLOUBEHC-UHFFFAOYSA-N 413.430 1.848 0 50 HDAA CC1CCN(Cc2nnnn2CCCC(=O)NCCSc2nccn2C)CC1 11819308 KCVVFQQYOVZVBV-UHFFFAOYSA-N 406.560 1.327 0 50 HDAA CCS(=O)(=O)c1ncc(CN2CCC(OCc3cccnc3)CC2)n1CCOC 11819367 KAUYGGBHGYGONA-UHFFFAOYSA-N 422.551 1.899 0 50 HDAA COC(=O)c1cc(C)nc2c1c(=O)n(CC(=O)Nc1cccc(C)c1C)c(=O)n2C 12462909 QPTMSZKHAKVGKN-UHFFFAOYSA-N 410.430 1.446 0 50 HDAA C[C@@H]1C[C@@H](CC(=O)N2CCOc3ccc(CN4CCOCC4)cc3C2)NC(=S)N1 14879594 PMVXGTZQFHMVAP-QAPCUYQASA-N 418.563 1.255 0 50 HDAA CN(C)CCNC(=O)c1cn(C2CCN(C(=O)c3ccc(Cl)cc3)CC2)nn1 14995366 XGOYSHASURNOCT-UHFFFAOYSA-N 404.902 1.700 0 50 HDAA Cc1nc(NC(=O)CN2CCN(Cc3ccccc3)CC2)sc1C(=O)N(C)C 20343294 FIEDYTVPKXFRMV-UHFFFAOYSA-N 401.536 1.910 0 50 HDAA COC(=O)C[C@@H](c1cc(OC)c2c(c1)OCCO2)c1c(O)n2ccccc2nc1=O 205948086 QJIPTPNBZMVISD-ZDUSSCGKSA-N 412.398 1.875 0 50 HDAA COc1ccc(OC)c([C@@H]2N[C@H](C(=O)O)[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]23)c1 245246824 PDDAKTMCYSHELE-MHORFTMASA-N 414.389 1.746 0 50 HDAA O=C(NCCSc1cnn[nH]1)c1ccc2c(c1)nc(O)n2[C@H]1CC[C@H](O)CC1 426518208 FBICSBPYJHBZHX-JOCQHMNTSA-N 402.480 1.858 0 50 HDAA Cc1cc(CN2CCC3(CC2)CN(C(=O)c2n[nH]c4c2COCC4)CCO3)on1 825297037 LIBHHVCZVYHOPP-UHFFFAOYSA-N 401.467 1.286 0 50 HDAA CC1(C)CNC(=O)C2(CCN(Cc3cnc(NC[C@@H]4CCCO4)nc3)CC2)NC1 1800410024 NBUJVWCFZDEEIS-KRWDZBQOSA-N 402.543 1.148 0 50 HDAA CN=c1[nH]c(C(=O)N2CCO[C@@H](CN3CCCCC3)[C@@H]2c2cnn(C)c2)cs1 1857725231 XVARNBAEMKAQJD-IRXDYDNUSA-N 404.540 1.408 0 50 HDAA CCCCc1ncc(CN2CCC(OC)(C(=O)N3CCC[C@H](C(N)=O)C3)CC2)[nH]1 1857730229 NFYMKJPFLWYPRA-INIZCTEOSA-N 405.543 1.457 0 50 HDAA CNC(=O)COc1cccc(CN2C(=O)CCN(CCc3csc(C)n3)C2=O)c1 1875316482 UHFUDXOALXOGOG-UHFFFAOYSA-N 416.503 1.973 0 50 HDAA Cc1nc(-c2cccnc2)ncc1C(=O)N[C@H]1CCC[C@@H](CN2CCNC(=O)C2)C1 2100537067 HKJMONJYJCRRDN-AEFFLSMTSA-N 408.506 1.567 0 50 HDAA Cn1cnnc1C[C@H](NC(=O)[C@H]1C[C@@]1(C)c1cccc(Br)c1)C(=O)O 2325853786 BKDJIILAHABMMQ-IGCXYCKISA-N 407.268 1.667 0 50 HDAA CCOC(=O)CN1C(=O)[C@@](O)(CC(=O)c2ccc3c(c2)OCCO3)c2ccccc21 783772 QTOWRPJUZPLFFQ-JOCHJYFZSA-N 411.410 1.828 0 50 HDAA Nc1nnc(SCC(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)s1 2841520 LJVNGLLHAQLYAN-UHFFFAOYSA-N 423.505 1.442 0 50 HDAA COCC(=O)N1CCC(Oc2ccccc2C(=O)N2CCN(C(C)C)CC2)CC1 12000924 PFSJBILNPPAEAZ-UHFFFAOYSA-N 403.523 1.869 0 50 HDAA COc1ccc(CCN2CCC(CN(C)C(=O)C[C@H]3NC(=O)NC3=O)CC2)cc1 19229154 MWZXCSMFRAKSQB-GOSISDBHSA-N 402.495 1.006 0 50 HDAA CC(=O)OC[C@@H]1O[C@@H](Oc2ccccc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 39944851 HPKPFIHCMIKXMU-PXTPFGJHSA-N 424.402 1.149 0 50 HDAA CCNc1nc(C)cc(N2CCN(S(=O)(=O)c3ccc(NC(C)=O)cc3)CC2)n1 64800473 PEXKUSVDTWOXIX-UHFFFAOYSA-N 418.523 1.686 0 50 HDAA COc1cccc(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N(C)Cc3cc(C)[nH]n3)[C@@H]4C2=O)c1 77392247 FFJZFRAGMGELJM-GJPOJAMWSA-N 422.485 1.667 0 50 HDAA Cc1cccc(C(=O)NC[C@H]2CN(CC3CCN(CC4CC4)CC3)C(=O)CO2)n1 299759220 CGNYJFAEXSSJTP-IBGZPJMESA-N 400.523 1.469 0 50 HDAA C[C@H](NC(=O)Cn1nc(Cc2ccccc2)c2ccccc2c1=O)c1nc(N)n[nH]1 426737378 JAROIATXRHOONE-ZDUSSCGKSA-N 403.446 1.565 0 50 HDAA CCc1cc(N2CCC(NC(=O)CCN3C(=O)COc4ccccc43)CC2)ncn1 480140892 VCXKSKXZKYMWFW-UHFFFAOYSA-N 409.490 1.940 0 50 HDAA Nc1ncc2c(n1)[C@]1(CCCN(S(=O)(=O)c3ccc4c(c3)CCC(=O)N4)C1)CC2 1704311707 RDDMFLPOOIVUNR-HXUWFJFHSA-N 413.503 1.612 0 50 HDAA CC(=O)N[C@]1(C)CCOC2(CCN(C(=O)c3ccccc3-c3nc[nH]n3)CC2)[C@H]1O 1704312200 NOUARGDBGWTXAT-VQTJNVASSA-N 413.478 1.123 0 50 HDAA CSc1ccccc1C(=O)N1C[C@H]2CN(C(=O)CCc3cn[nH]c3)C[C@@]2(CO)C1 1772705943 OMPPVJFXFGJRRB-IERDGZPVSA-N 414.531 1.657 0 50 HDAA CN=c1nc(N2CC[C@@H](O)[C@]3(CCCN(C(=O)Cc4ccccc4)C3)C2)cc(C)[nH]1 1857682635 KYXPVFMPBWBYHR-AUSIDOKSSA-N 409.534 1.671 0 50 HDAA CCCNC(=O)[C@H]1C[C@H]2CN(C(=O)c3cc(CC)[nH]n3)CC(=O)N2[C@H]1CC(C)C 1857715075 ACAHMPFRJCVJAJ-BQFCYCMXSA-N 403.527 1.586 0 50 HDAA CC(C)CCn1c(-n2nc(CC(N)=O)nc2[C@H]2CN(C)CCO2)nc2ccccc21 1857719231 HGTICNDEBWYVOD-QGZVFWFLSA-N 411.510 1.694 0 50 HDAA NC(=O)C1CCN(CC(=O)NCc2nc(-c3ccc(Br)cc3)n[nH]2)CC1 1875257665 PJNVXQMGZPQWJF-UHFFFAOYSA-N 421.299 1.048 0 50 HDAA O=C(c1ccc(F)cc1)N1CCN(S(=O)(=O)c2ccn([C@@H]3CC3(F)F)n2)CC1 2325819331 ARKAECSATKVSML-CQSZACIVSA-N 414.409 1.749 0 50 HDAA CC(=O)N[C@@H](C(=O)N1CCN(c2ccnnc2)CC1)c1cccc(Br)c1 2325825134 FYRCKLAXULREAD-QGZVFWFLSA-N 418.295 1.765 0 50 HDAA C=CC(=O)N(C)c1ccc(C(=O)N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)cc1 2325890035 UWZDYYPLUGOSIL-SFHVURJKSA-N 421.519 1.102 0 50 HDAA CCn1cc(NC(=O)Cn2nc(C(F)F)c(Br)c2C)c(C(N)=O)n1 2778761 NKMDPRMGBMSKSU-UHFFFAOYSA-N 405.203 1.846 0 50 HDAA CCOC(=O)Cc1csc(NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)n1 3620206 ALOVEIZGNXVYOU-UHFFFAOYSA-N 409.445 1.032 0 50 HDAA CN(Cc1cnn(C)c1)Cc1cnc(S(=O)(=O)CC2CC2)n1C[C@H]1CCCO1 11935918 YRVNDEYJKXXZKU-GOSISDBHSA-N 407.540 1.611 0 50 HDAA O=C1NCCN(CC2CCCCC2)[C@H]1CC(=O)N1CCN(C2CCCC2)C(=O)C1 12027938 JYCJILPONAXXNY-IBGZPJMESA-N 404.555 1.371 0 50 HDAA CN(Cc1ccccc1)C(=O)c1nc2ccccn2c1CNCCN1CCNC1=O 12301721 QJWGMKPMYMAQIN-UHFFFAOYSA-N 406.490 1.721 0 50 HDAA O=C1CCN(C(=O)c2nn(CCc3ccccc3)c3c2CN(CC2CC2)CC3)CCN1 14744493 SVZUYLQKTLUVNM-UHFFFAOYSA-N 421.545 1.856 0 50 HDAA CC1CCN(CCCNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)CC1 28067894 GFYOELPJPBCKFN-UHFFFAOYSA-N 409.552 1.559 0 50 HDAA Cc1ccc(S(=O)(=O)N2CCN(c3cc(C)nc(N4CCOCC4)n3)CC2)cc1 65363303 NCVABGHGZNNARX-UHFFFAOYSA-N 417.535 1.441 0 50 HDAA COc1cc(C(=O)NCCc2nc(C)n[nH]2)ccc1OC1CCN(C(C)=O)CC1 95504803 RTOMCBQBSVWUFB-UHFFFAOYSA-N 401.467 1.484 0 50 HDAA COCCN1C(=O)C[C@@](CC(=O)N2CCC[C@H]2C(=O)OC)(c2ccccc2F)C1=O 299770041 LAFBPYCNFCFWSJ-KKSFZXQISA-N 420.437 1.023 0 50 HDAA O=C(Cn1nc(-c2ccccc2)c2ccccc2c1=O)N1CCN2C(=O)OC[C@@H]2C1 426548544 QGZUNYPRSRKGFE-INIZCTEOSA-N 404.426 1.727 0 50 HDAA Cc1csc(S(=O)(=O)N[C@H]2C3CN4CCN(C3)CC2(c2ccccc2)C4)c1 825257259 RDFLGENCHCTELZ-AJPWXKBRSA-N 403.573 1.902 0 50 HDAA Cc1c[nH]ccc1=NCCNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 827748242 GFRMMLVMHKCKOB-GOSISDBHSA-N 406.483 1.332 0 50 HDAA O=C(CN1CCN(c2ncccn2)CC1)N1CCC[C@H](Cc2nc3ccccc3[nH]2)C1 952963498 KKSNGOOPBQXGRT-GOSISDBHSA-N 419.533 1.956 0 50 HDAA Cc1ccccc1-c1ccc(C(=O)N2C[C@H](O)[C@H](CS(=O)(=O)N(C)C)C2)cc1 1529192365 UOPJNGQKNPWLCD-ICSRJNTNSA-N 402.516 1.986 0 50 HDAA CN(C)C(=O)N1CCN(C(=O)C[C@H]2CCCN(c3nc4ncccc4o3)C2)CC1 1857733921 FWORIDFKTGMCMQ-OAHLLOKOSA-N 400.483 1.655 0 50 HDAA CC(C)C(=O)N1CCCNC(=O)[C@H]2C[C@@H]3CCCN3[C@@]23C(=O)N(CC1)c1ccccc13 1875241654 VPMPUPHBIXWMIE-RGZWJVDOSA-N 424.545 1.717 0 50 HDAA Cc1cc(C(=O)N2CCCCC3(CN(C(=O)c4nc(=O)n(C)[nH]4)C3)C2)c(C)s1 1875331221 VSGUQLZLOOQBOV-UHFFFAOYSA-N 403.508 1.555 0 50 HDAA O=C(C[C@@H]1CC(=O)NC1=O)NCC1(NC(=O)c2cccc3nc(O)ccc23)CCCC1 1875359195 XSRKPJVJYZKREN-CYBMUJFWSA-N 424.457 1.152 0 50 HDAA Nc1cc(C(=O)N[C@H]2CCCC[C@@H]2NC(=O)c2csc(O)n2)c(F)c(O)c1F 2325873049 WXUIRYYXPLBPGJ-UWVGGRQHSA-N 412.418 1.886 0 50 HDAA COCCOc1cc(O)cc(C(=O)N2CCC[C@]23CCCN(CCOC)C3=O)c1 2356167502 ZTATYSVJRUTRIA-NRFANRHFSA-N 406.479 1.661 0 50 HDAA Cc1ccc(N2C[C@@H](C(=O)NCCc3ccc(S(N)(=O)=O)cc3)CC2=O)cc1 2865349 OWQXEKQUHKEFLP-INIZCTEOSA-N 401.488 1.354 0 50 HDAA O=C(COc1ccc(Cl)cc1S(=O)(=O)N1CCCCC1)N1CCOCC1 4742958 WYVOJTLFLCWWJF-UHFFFAOYSA-N 402.900 1.752 0 50 HDAA COC(=O)CCC(=O)N1CCC([C@@H](Cc2ccccc2)N(C)C(=O)CN(C)C)CC1 11840835 YNMHZJJVIQNTQV-HXUWFJFHSA-N 417.550 1.810 0 50 HDAA COc1cccc(N2C(=O)CN(C(=O)CN3C(=O)c4ccccc4C3=O)C[C@@H]2C)c1 12218275 SKXWKHWFCKNARR-AWEZNQCLSA-N 407.426 1.555 0 50 HDAA CC(=O)c1ccc(N2CCN(C(=O)C[C@H]3C(=O)NCCN3CC(C)C)CC2)cc1 12307983 XFMUATZZHLEIRJ-FQEVSTJZSA-N 400.523 1.384 0 50 HDAA Cn1c(CCNC(=O)c2ccc(Cl)cc2)nnc1SCC(=O)N1CCOCC1 13944991 XXZCVTSWBDSHED-UHFFFAOYSA-N 423.926 1.392 0 50 HDAA COc1cccc(N2C(=O)C[C@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2=O)c1 19565745 GWNCNAVXRVOTEZ-IBGZPJMESA-N 423.469 1.874 0 50 HDAA COc1ccccc1N(CC(=O)N1CCN(C)CC1)S(=O)(=O)c1ccccc1 19812195 WQFUEYXMSAGFHP-UHFFFAOYSA-N 403.504 1.665 0 50 HDAA Cc1cc(N2CCC3(CC2)CN(CCCN2CCN(C(C)C)CC2)C(=O)O3)ncn1 77354721 YFZWCGPGQBWAEN-UHFFFAOYSA-N 416.570 1.992 0 50 HDAA CCc1nnc(CN(CC)C(=O)[C@@H]2[C@@H]3C=C[C@@]4(CN(CC(C)(C)C)C(=O)[C@H]24)O3)o1 77457570 FEHASUDYWIEPAF-ACWWSVHNSA-N 402.495 1.809 0 50 HDAA O=C(O)CN1C(=O)[C@@H]2[C@H](C1=O)[C@H]1C[C@@H]2[C@H]2[C@@H]1Sc1[nH]c(=O)sc1C21CCCC1 238899891 HFGNCTZBQJNROV-NIQXTHQDSA-N 420.512 1.674 0 50 HDAA C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)N1CCC[C@]2(C1)NC(=O)NC2=O 434779936 XVOKJPDNRIYJKI-KPZWWZAWSA-N 423.311 1.470 0 50 HDAA COc1ccccc1C(=O)Nc1cc2c(cc1N1CCNC[C@H]1C)n(C)c(=O)n2C 575623806 FQWDVNSBYDXPIO-CQSZACIVSA-N 409.490 1.936 0 50 HDAA in-vitro CCCc1nc(C(=O)NCC2CCN(c3cc4nncn4c(N)n3)CC2)cs1 952981258 LJFFWYRRDQGBIA-UHFFFAOYSA-N 400.512 1.762 0 50 HDAA O=C(NCCCN1CCC[C@H](O)C1)c1c(N2CCOCC2)noc1-c1ccccc1 1704311670 PFGLOMZOCLAFKU-SFHVURJKSA-N 414.506 1.755 0 50 HDAA CSCC(=O)N1C[C@@H]2CN(Cc3cc(C(N)=O)oc3C(C)(C)C)C[C@]2(CO)C1 1772712829 RBHIJKKPMVAUTJ-VBKZILBWSA-N 409.552 1.292 0 50 HDAA COc1ccccc1C(=O)N1C[C@H]2CN(C(=O)Cc3csc(C)n3)C[C@]2(CO)C1 1775978595 GADXWYTXVGKUGM-QVKFZJNVSA-N 415.515 1.596 0 50 HDAA CC(C)[C@@H]1CO[C@@]23CCN(C(=O)c4ccc(N5CCOCC5)nc4)[C@@H]2CC(=O)N13 1857716415 LMPRAGKBLGUOSR-FVJLSDCUSA-N 400.479 1.116 0 50 HDAA Cc1cccc(C(=O)N2CCC3(CCc4c(O)nc(N5CCOCC5)nc43)CC2)n1 1857737741 AQETWOFHVRIVBV-UHFFFAOYSA-N 409.490 1.842 0 50 HDAA C[C@@H](C(=O)Nc1ncccn1)N1C[C@@H]2CN(C(=O)c3cc4cnccc4[nH]3)C[C@]2(C)C1 1875332322 OTMTXHXAKVNLEA-PGKMIFDNSA-N 419.489 1.774 0 50 HDAA CO[C@@H]1CN(C(=O)c2cccc(-n3cc(C(C)(C)N(C)C)nn3)c2)[C@](C)(C(=O)O)C1 1875354272 SNAANOKNJZHASR-KKSFZXQISA-N 415.494 1.768 0 50 HDAA C=CC(=O)NCc1cn(-c2cccc(CNC(=O)c3onc4c3CCCC4)c2)nn1 1875386606 VFYAEQXUYXCNRZ-UHFFFAOYSA-N 406.446 1.866 0 50 HDAA COc1ccccc1CN(C)C(=O)c1ccc2c(c1)CN([C@H]1CCC(=O)NC1=O)C2=O 2325887053 SBIDCSNIRCVGOE-SFHVURJKSA-N 421.453 1.728 0 50 HDAA O=C1CC[C@@H](N2Cc3c(NC(=O)c4ccc5oncc5c4)cccc3C2=O)C(=O)N1 2325895509 BYQGFSGRRXKMSG-MRXNPFEDSA-N 404.382 1.841 0 50 HDAA CN(C)c1ncc2c(n1)[C@]1(CCCN(C(=O)c3ccc(-n4cnnn4)cc3)C1)CC2 2356133865 ISSZAADDASBTJP-OAQYLSRUSA-N 404.478 1.639 0 50 HDAA C[C@H](O)[C@@H](NC(=O)CNC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 4763748 WFOUCHSTLPZYMW-HNAYVOBHSA-N 400.431 1.522 0 50 HDAA Cc1nnc(SCCNC(=O)C[C@@H]2C(=O)NCCN2CCc2ccccc2)s1 11839389 BJLILUJUIOJFIM-MRXNPFEDSA-N 419.576 1.488 0 50 HDAA CCN(CC)C[C@H](O)COc1ccc(CNCCSc2cnn[nH]2)cc1OC 12303069 BCELKKXLIHUEOT-INIZCTEOSA-N 409.556 1.777 0 50 HDAA CCCOc1ccc(N2C(=O)C[C@@H](NCc3ccc(S(N)(=O)=O)cc3)C2=O)cc1 19731514 HAQDQEDHWVVODD-GOSISDBHSA-N 417.487 1.545 0 50 HDAA COCCn1c(CN(C)C[C@H](O)c2ccccc2)cnc1S(=O)(=O)CC1CC1 20995841 ATDKSRQUIVJBCC-IBGZPJMESA-N 407.536 1.879 0 50 HDAA O[C@H]1O[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H](O)[C@H](O)[C@@H]1O 34655336 WMNZCEKHTHLIRQ-DJCPXJLLSA-N 422.477 1.795 0 50 HDAA in-vitro COc1ccc(CC(=O)N2CCN(c3cc(N4CCN(C)CC4)ncn3)CC2)cc1 72446920 XQLAZPZSCBCPJA-UHFFFAOYSA-N 410.522 1.128 0 50 HDAA CN(Cc1cc(C2CC2)on1)C(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(Cc4cccnc4)C(=O)[C@H]13)O2 77422696 VXRXNZOQERKOAZ-UDSSINMLSA-N 420.469 1.888 0 50 HDAA O=C([C@H]1CCCN(C2CCN(Cc3ccc4c(c3)OCO4)CC2)C1)N1CCOCC1 82121711 YMWZJKIWAYSMKF-IBGZPJMESA-N 415.534 1.951 0 50 HDAA CS(=O)(=O)N(CC(=O)NCCc1nc(-c2ccccn2)no1)c1cccc(F)c1 670444991 UCTGXZZBWMCXQF-UHFFFAOYSA-N 419.438 1.396 0 50 HDAA COc1ccccc1CN1C[C@H](C(=O)Nc2ccc(Oc3nn[nH]n3)cc2)CC1=O 1506403814 ZJTZQEACSDLLAP-CQSZACIVSA-N 408.418 1.988 0 50 HDAA Cc1nnc(S[C@H](C(=O)Nc2ccc(S(N)(=O)=O)cc2)c2ccccc2)n1N 1772491234 YZEBMLPAPLJQKP-HNNXBMFYSA-N 418.504 1.420 0 50 HDAA CSCC(=O)N1C[C@H]2CN(C(=O)CCc3n[nH]c(C)c3C)C[C@]2(CN(C)C)C1 1772701728 OZZBSXMSXNIFPX-OXQOHEQNSA-N 407.584 1.171 0 50 HDAA Cc1ncsc1CN1C[C@H]2CN(C(=O)c3cnn4ccn(C)c34)C[C@@]2(CO)C1 1772816463 MTBQOBWUOOYKIH-IFXJQAMLSA-N 400.508 1.004 0 50 HDAA COc1nc2c(cc1CN1CCC3(CC1)CNC(=O)CCO3)C(=O)N(C(C)C)C2 1857708821 OXQODEVMVJAGMI-UHFFFAOYSA-N 402.495 1.326 0 50 HDAA CC(C)[C@H]1C[C@@H](O)CC2(CCN(C(=O)c3cn([C@H]4CC[C@@H](N)CC4)nn3)CC2)O1 1857727500 UOSXTEXWJQIIJP-SFNKJDCFSA-N 405.543 1.891 0 50 HDAA CCC(=O)N1CCC[C@@]2(CCc3c2nc(-c2cccnc2)[nH]c3=NCc2nc[nH]n2)C1 1875241376 VTQAIEOWNJTOTK-JOCHJYFZSA-N 418.505 1.907 0 50 HDAA CN1C[C@H]2COC[C@@H]1CN(Cc1ccccc1OCCCCN1CCOCC1)C2 1875251328 YPMTUAGNMITKNZ-IRLDBZIGSA-N 403.567 1.940 0 50 HDAA C[C@H](NS(=O)(=O)c1ccc(NC[C@@]2(CO)CCOC2)c(F)c1)C1CCOCC1 1875342678 CGPBZXKARYZUDP-IFXJQAMLSA-N 416.515 1.730 0 50 HDAA CCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@H](O)COc1ccc(CC)cc1 1816634 LQAMWOZUJYDUBD-AWEZNQCLSA-N 418.519 1.928 0 50 HDAA COCCNC(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(OC)cc1 2814541 OKDNDCKQKGKPES-UHFFFAOYSA-N 408.476 1.662 0 50 HDAA O=C1NCCN(Cc2ccc(F)c(F)c2)[C@H]1CC(=O)N1CCN(CC2CC2)CC1 15067293 DPKOCNSQEQNJOY-IBGZPJMESA-N 406.477 1.210 0 50 HDAA COCCC(=O)N1CCC(Oc2ccc(C(=O)NCCn3cccn3)cc2)CC1 15067980 IHVCGIXMVCCXGA-UHFFFAOYSA-N 400.479 1.719 0 50 HDAA Cc1nccn1CCCNCc1ccc(OC[C@@H](O)CN2CCN(C)CC2)cc1 20541281 VAVYCSCXOYFFBX-NRFANRHFSA-N 401.555 1.359 0 50 HDAA Cc1cn2cc(CNC(=O)C[C@H]3C(=O)NCCN3Cc3ccccc3F)nc2s1 20907181 VSXDLZPMBPXHQS-KRWDZBQOSA-N 415.494 1.850 0 50 HDAA O=C(O)c1cc(-c2ccc3c(c2)OCCO3)cc(S(=O)(=O)N2CCOCC2)c1 71755003 FOOCPUNSAUYDND-UHFFFAOYSA-N 405.428 1.844 0 50 HDAA CC(C)S(=O)(=O)N1CCC(N2CCC[C@H](C(=O)NCc3ccccn3)C2)CC1 82156943 XDPSQNITVNIMLX-KRWDZBQOSA-N 408.568 1.612 0 50 HDAA CCS(=O)(=O)c1ncc(CN2CCN(CCO)CC2)n1CCCc1ccccc1 96406004 GLIAGJCDTAQTAL-UHFFFAOYSA-N 420.579 1.419 0 50 HDAA Cc1ccnc(NS(=O)(=O)c2ccc(N3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)cc2)n1 100567670 CFMQYYTZBXTMBB-MGBSGCIJSA-N 410.455 1.897 0 50 HDAA COC(=O)c1c(F)ccc(S(=O)(=O)N2CSC[C@@H]2C(=O)NC(C)(C)C)c1F 746404009 RHSIKLHHVFXDFB-SNVBAGLBSA-N 422.475 1.730 0 50 HDAA Cn1nc(Br)c2c(NCCn3c(O)nc4ccccc4c3=O)ncnc21 752705679 AFSJIGKGRAMFCB-UHFFFAOYSA-N 416.239 1.653 0 50 HDAA N=C(NC[C@@H](CO)Cc1ccc(C(F)(F)F)cc1)N1CCN(c2ncccn2)CC1 849097831 PONDKKYVTOVUTK-INIZCTEOSA-N 422.455 1.993 0 50 HDAA CN(C)c1ccc(C(=O)N2C[C@H](O)[C@H](CS(=O)(=O)N(C)C)C2)c2ccccc12 1529106163 LXXZOVMEBOIJPV-LIRRHRJNSA-N 405.520 1.230 0 50 HDAA CN(C)c1nccnc1N1Cc2nnc(C3CCOCC3)n2[C@H](Cc2cnc[nH]2)C1 1704300097 UEVDXKUVGMSPEE-MRXNPFEDSA-N 409.498 1.555 0 50 HDAA CC(C)c1nccc(C(=O)N[C@H]2CC[C@H](C(=O)N(C)Cc3ccon3)C[C@@H]2O)n1 1875243550 LWSOIXLPTFFGMJ-QRTARXTBSA-N 401.467 1.506 0 50 HDAA C[C@H](Oc1ccccc1)C(=O)N1CC(C)(C)C[C@@H]1CNC(=O)[C@H](O)C1CCOCC1 1875344237 HRWHKJYEBLTHNZ-ILZDJORESA-N 418.534 1.985 0 50 HDAA CC1(C)CCCN(C(=O)[C@H]2C[C@H](n3cc(CN4CCOCC4)nn3)C2)[C@@H]1C(=O)O 1875354430 VRNUVYQTZLBUGI-DJIMGWMZSA-N 405.499 1.163 0 50 HDAA O=C(NS(=O)(=O)N1CCSCC1)[C@@H]1C[C@H]1c1ccc(Br)cc1 2325819841 RQVLWJUTUWMZES-QWHCGFSZSA-N 405.339 1.962 0 50 HDAA CN1CCN(c2cccc(C(=O)N3CCN(c4ncnc5[nH]ccc45)CC3)n2)CC1 2325880195 YEASKEYFFZEHAV-UHFFFAOYSA-N 406.494 1.067 0 50 HDAA CNCc1ccc(NC(=O)c2cccc3c2CN([C@@H]2CCC(=O)NC2=O)C3=O)cc1 2325896412 YCZDQWYMFADVEE-GOSISDBHSA-N 406.442 1.419 0 50 HDAA CCn1cc(-n2c(S)nc3sc4c(c3c2=O)CCC4)c(C(=O)NCCOC)n1 6490200 HDPMYVCVOQMWJT-UHFFFAOYSA-N 419.532 1.817 0 50 HDAA CC(=O)Cn1c(=O)c2c(nc(-n3nc(C)cc3C)n2Cc2ccc(F)cc2)n(C)c1=O 12517730 MZFJSTDCOZITOW-UHFFFAOYSA-N 424.436 1.476 0 50 HDAA C[C@H](NC(=O)[C@H]1COc2ccccc2O1)C(=O)N1CCN(Cc2ccccc2)CC1 13691088 RVMUKSKGGZWKAY-LAUBAEHRSA-N 409.486 1.676 0 50 HDAA Cc1ccc(N([C@H](C)C(=O)N2CCC(C(N)=O)CC2)S(C)(=O)=O)cc1Cl 65362305 LRGVZTLILUEZGM-GFCCVEGCSA-N 401.916 1.527 0 50 HDAA Cc1ccc(N2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N(C)CCn3cccn3)[C@@H]4C2=O)cc1C 77439703 FUIXIQDWTXWBDN-VAWZGJIGSA-N 406.486 1.945 0 50 HDAA Cc1nccn1CCN(C)C(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(Cc4cccnc4)C(=O)[C@H]13)O2 77539455 OWSIWMYAVPMACC-OZIGNCPNSA-N 407.474 1.027 0 50 HDAA CCOC(=O)c1c[nH]c(=O)c([C@H](CC(=O)O)c2cc(OC)c(O)c(OC)c2)c1O 217878023 WWXNQQCGRHTKAD-SNVBAGLBSA-N 407.375 1.587 0 50 HDAA biogenic Cc1cc(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)c2n[nH]cc2c1 495257672 VBVJDUQDAJUQMU-QGZVFWFLSA-N 421.505 1.897 0 50 HDAA Cc1c(C(=O)NC[C@@H](O)c2cccc(Br)c2)cnn1-c1ccc(O)nn1 802318288 GCWAXZVSMAWTOG-CQSZACIVSA-N 418.251 1.902 0 50 HDAA CCOCc1nnc(N2C[C@@H](C(=O)NCc3ccc4c(c3)OCO4)CC2=O)s1 1857671381 QXBHOPIRRMXVTR-LBPRGKRZSA-N 404.448 1.473 0 50 HDAA O[C@]1(CN2CCN(c3ccccn3)CC2)CCCN(c2nnnn2-c2ccccc2)C1 1857716086 VTGHGCDEHDUEEQ-QFIPXVFZSA-N 420.521 1.211 0 50 HDAA CN(C)c1ncc2c(n1)[C@@]1(CCCN(C(=O)c3ccc(-n4cnnn4)cc3)C1)CC2 2356133864 ISSZAADDASBTJP-NRFANRHFSA-N 404.478 1.639 0 50 HDAA O=C1N[C@@H](C(=O)N2CCc3nc(Cc4ccccc4)nn3CC2)Cc2ccccc21 2356168939 INWGJGGVMIMQLH-LJQANCHMSA-N 401.470 1.608 0 50 HDAA CC(=O)Oc1ccc(/C=c2\sc3nc(=O)c(Cc4ccccc4)nn3c2=O)cc1 2381282 YVFJQTJXLZGECB-PDGQHHTCSA-N 405.435 1.575 0 50 HDAA O=C(Cn1nc(N2CCOCC2)ccc1=O)N1CCN(c2ccc(Cl)cc2)CC1 61720723 AKSAWRYFCVLEBJ-UHFFFAOYSA-N 417.897 1.082 0 50 HDAA CCC(CO)(CO)NC(=O)[C@H]1CCCN(C2CCN(Cc3cccnc3)CC2)C1 71707989 IYLGZPQEUCOFGC-IBGZPJMESA-N 404.555 1.008 0 50 HDAA O=C1CO[C@H](COc2ccc(F)cc2)CN1C1CCN(CCn2ccnc2)CC1 299792803 GMEHJZOVVRKMQP-FQEVSTJZSA-N 402.470 1.793 0 50 HDAA COc1cc(C)c(C(C)C)cc1S(=O)(=O)NCCCN1CCC[C@H](C(N)=O)C1 670463494 UOODLGSIKKMXLR-INIZCTEOSA-N 411.568 1.993 0 50 HDAA O=C(CCCc1cn[nH]c1)N[C@@H]1CS(=O)(=O)[C@H]2CN(Cc3ccccc3)C[C@@H]12 1857688215 XNHXCXYKTPHCGF-OTWHNJEPSA-N 402.520 1.146 0 50 HDAA CS(=O)(=O)N1CCc2cc(S(=O)(=O)Nc3ccc4c(c3)OCCO4)ccc21 1059888 LJSWWGGROVVFSW-UHFFFAOYSA-N 410.473 1.581 0 50 HDAA COC(=O)c1ccc(NC(=O)CNS(=O)(=O)c2ccc(OC)c(OC)c2)cc1 1139513 MXTRXUHNEUWUDY-UHFFFAOYSA-N 408.432 1.407 0 50 HDAA CCS(=O)(=O)Nc1cc(CNC(=O)c2cn3ccccc3n2)cc(C(=O)OC)c1 11789673 BSCKZRWENOKBQM-UHFFFAOYSA-N 416.459 1.813 0 50 HDAA CC(C)[C@@H]1NC(=O)[C@@H]2C[C@H](NC(=O)c3ccc(F)c(C(F)(F)F)c3)CN2C1=O 14745741 SRXHVBSREYJZSP-BPNCWPANSA-N 401.360 1.698 0 50 HDAA CSc1ccc(S(=O)(=O)NCc2ccncc2)cc1C(=O)N1CCOCC1 16650399 NRVGXPJJHUCTMP-UHFFFAOYSA-N 407.517 1.754 0 50 HDAA O=C(O)CN1C(=O)S/C(=C/C=C2/SCCN2CCCS(=O)(=O)O)C1=S 25559847 MYMKMLSKLNEZRI-YCRYFRDGSA-N 424.547 1.619 0 50 HDAA CCOc1ccc(CNC(=O)C2CCN(S(=O)(=O)N(C)C)CC2)cc1OCC 67601973 HFXVPWNGGAAEDD-UHFFFAOYSA-N 413.540 1.619 0 50 HDAA CN(Cc1nc(-c2cccs2)no1)C(=O)C1CCN(S(=O)(=O)N(C)C)CC1 67621411 FEYWBAOZAMKMCN-UHFFFAOYSA-N 413.525 1.275 0 50 HDAA COc1ccc(S(=O)(=O)NC2CCN(C)CC2)cc1C(=O)N1CCC(C)CC1 72434140 SWCUPTPHRZFODE-UHFFFAOYSA-N 409.552 1.940 0 50 HDAA O=C([C@H]1[C@@H]2C=C[C@@]3(CN(c4ccc(CCO)cc4)C(=O)[C@@H]13)O2)N1CCSCC1 77539913 MRROVYUUZDJFCT-UGNRZPKXSA-N 400.500 1.083 0 50 HDAA Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@@H](C)N1CCC[C@@H](NS(C)(=O)=O)C1 229520489 HHVGJPSPJQQSGT-IAGOWNOFSA-N 419.551 1.830 0 50 HDAA CCn1nc(NC(=O)[C@H]2CN(Cc3nc(O)c4ccccc4n3)CCO2)cc1C1CC1 427238915 YNQVFJVJLHZTSM-GOSISDBHSA-N 422.489 2.269 0 50 HDAA CNS(=O)(=O)C[C@H]1CCCN1C(=O)[C@H](CC(C)C)N1C(=O)c2ccccc2C1=O 488790849 XPTZKLNHLSWZDS-PBHICJAKSA-N 421.519 1.238 0 50 HDAA Cc1csc(S(=O)(=O)N[C@@H]2C3CN4CCN(C3)CC2(c2ccccc2)C4)c1 825257260 RDFLGENCHCTELZ-NQKNOSNGSA-N 403.573 1.902 0 50 HDAA CC1=NO[C@@](C)(C(=O)N2CCC(CNC(=O)c3nc4ccccn4c3F)CC2)C1 1506424806 NFYTYWZUNFVZNN-HXUWFJFHSA-N 401.442 1.997 0 50 HDAA CN(C)c1nc2c(c(N3CCCN(S(=O)(=O)N4CCCC4)CC3)n1)CCCC2 1704299236 GIQNSIUUTWPQTO-UHFFFAOYSA-N 408.572 1.274 0 50 HDAA COc1ccc(OCCn2c([C@H]3CCCO3)nnc2N2CCC[C@@H](C(N)=O)C2)cc1 1748885584 POYJHLVYJSIIOG-CRAIPNDOSA-N 415.494 1.919 0 50 HDAA C[C@]12CC[C@@H]3[C@H](CC[C@]4(O)C[C@H](O)CC[C@]34C(=O)O)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1 1848443744 XJIILRFVONGQOG-YXCPKLKVSA-N 420.502 1.784 0 50 HDAA CO[C@H](C(=O)Nc1n[nH]c(=N[C@@H]2CCN(c3cccnn3)C2)s1)c1ccccc1 1857539128 KLQLQDLJJUAEGT-ZBFHGGJFSA-N 411.491 1.767 0 50 HDAA CCCc1cc(C(=O)Nc2cccc3c2CN([C@H]2CCC(=O)NC2=O)C3=O)nn1C 2325896320 WFJWTIXMMAJAOY-KRWDZBQOSA-N 409.446 1.386 0 50 HDAA CSCCNC(=O)c1cccc(OC2CCN(S(=O)(=O)N(C)C)CC2)c1 14963942 BSMALUMQFWACPH-UHFFFAOYSA-N 401.554 1.429 0 50 HDAA CCN1CCNC(=O)[C@H]1CC(=O)NCC(=O)NC(c1ccccc1)c1ccccc1 55325828 JQVUJZOAROGZON-LJQANCHMSA-N 408.502 1.219 0 50 HDAA CNc1nc(C)cc(N2CCC(N3CCC[C@@H](C(=O)N4CCOCC4)C3)CC2)n1 71639510 XOKYTBSGDAVLGP-QGZVFWFLSA-N 402.543 1.366 0 50 HDAA CCc1cc(N2CCC(N3CCC[C@@H](C(=O)N4CCOCC4)C3)CC2)nc(C)n1 71759475 ZHUDPIOHDJOZHJ-GOSISDBHSA-N 401.555 1.887 0 50 HDAA CNc1ccc(C(=O)OCC(=O)Nc2cc(C(=O)OC)cc(C(=O)OC)c2)cn1 225664585 HRYPGEGOMMZQFX-UHFFFAOYSA-N 401.375 1.492 0 50 HDAA O=C(NC[C@H]1CN(CC2CCN(CC3CC3)CC2)C(=O)CO1)c1ccccc1O 299778818 OOIKQUHRJYUJHT-SFHVURJKSA-N 401.507 1.471 0 50 HDAA COc1cccc(CN2CCN(C(=O)CN3CCOc4ccccc4C3)CC2=O)c1 824781054 QRVZJRJOZIVWJM-UHFFFAOYSA-N 409.486 1.761 0 50 HDAA N=c1[nH]cc(C(=O)N[C@H]2CC[C@H](C(=O)NC3Cc4ccccc4C3)C[C@@H]2O)s1 1857715554 XAALBCDRSBTUKU-BPUTZDHNSA-N 400.504 1.099 0 50 HDAA CC[C@H]1[C@@H](C(=O)N2CCc3nocc3C2)C[C@H]2CN(C(=O)C3(C)CC3)CC(=O)N21 1857739555 VQFDKRSRYJHXAZ-ZOBUZTSGSA-N 400.479 1.197 0 50 HDAA CN1CCn2nc(C(=O)N[C@@H]3COC[C@H]3Cc3ccnc4ccccc34)cc2C1=O 1940197037 NOIPURFGLXNXCM-DNVCBOLYSA-N 405.458 1.504 0 50 HDAA Cc1cc(C(N)=O)cc(S(=O)(=O)Nc2ccc([C@]3(C)NC(=O)N(C)C3=O)cc2)c1 2325851787 JIOITGBXLONVFF-IBGZPJMESA-N 416.459 1.292 0 50 HDAA COC(C)(C)C(=O)N1CC[C@@H](NC(=O)[C@@H](CCSC)NC(=O)OC(C)(C)C)C1 2325872792 NFTIQXWRWZUZFN-ZIAGYGMSSA-N 417.572 1.775 0 50 HDAA NC(=O)C1(N2CCCCC2)CCN([C@H]2CC(=O)N(c3cccc(F)c3)C2=O)CC1 1109114 QZIKMTSBJFAIGO-KRWDZBQOSA-N 402.470 1.263 0 50 HDAA CN(C)S(=O)(=O)N(CC(=O)N1CCN(c2ccc(F)cc2)CC1)c1ccccc1 9667713 OJANVELQGOXWKJ-UHFFFAOYSA-N 420.510 1.787 0 50 HDAA CS(=O)(=O)N1CCC(Oc2ccc(C(=O)N3CCC[C@@H](O)C3)cc2Cl)CC1 11843734 ZXRBDCIWMSRXTP-CQSZACIVSA-N 416.927 1.740 0 50 HDAA CC(=O)N1CCCN(C(=O)C[C@@H]2C(=O)NCCN2Cc2ccc3ccccc3c2)CC1 12004477 VCJZTYRVANPRKT-JOCHJYFZSA-N 422.529 1.611 0 50 HDAA Cc1ccccc1-n1cc(CNC(=O)Cn2nnnc2CN2CCC(C)CC2)cn1 12072722 YFOQKBNINUWTFG-UHFFFAOYSA-N 408.510 1.716 0 50 HDAA CC1CCN(Cc2nnnn2CC(=O)N2CCN(c3ccccc3F)CC2)CC1 12436367 SLEFRADPQCARBA-UHFFFAOYSA-N 401.490 1.393 0 50 HDAA COc1cccc(CN(C)CC2CCOCC2)c1OC[C@H](O)CN1CCOCC1 39518458 SEESWAHNLRFPEI-HXUWFJFHSA-N 408.539 1.626 0 50 HDAA CC(C)S(=O)(=O)c1ncc(CN2CCN(C)C(=O)[C@@H]2C)n1CCc1ccccc1 55342923 KDQXUVPFSPFXEF-KRWDZBQOSA-N 418.563 1.970 0 50 HDAA COc1ccc(-c2cn3cc(C(=O)NCc4cnn(C)c4)nc3c(=O)n2C)c(F)c1 72426138 XPTYBLWRLSCFJC-UHFFFAOYSA-N 410.409 1.511 0 50 HDAA COCCN(C)CCN1CC2(CCN(C(=O)Cc3c(C)noc3C)CC2)OC1=O 77470423 SEDBCXIGYAOCOL-UHFFFAOYSA-N 408.499 1.226 0 50 HDAA COCCN(C)CCN1CC2(CCN(C(=O)c3ccc4[nH]cnc4c3)CC2)OC1=O 77471914 VEWXJURCJDTCGI-UHFFFAOYSA-N 415.494 1.568 0 50 HDAA O=C([C@H]1CC(=O)N(c2n[nH]c3ccccc23)C1)N1CCN(CCc2ccccn2)CC1 169779917 QYICJEFAEIXAKP-KRWDZBQOSA-N 418.501 1.698 0 50 HDAA Cc1noc([C@H]2COCCN2CC(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)n1 170594524 XSHPUWIORLFACT-CYBMUJFWSA-N 416.406 1.386 0 50 HDAA COC(=O)C[C@@H](C)N1CCN(C(=O)[C@@H](Cc2ccccc2)N2CCCOC2=O)CC1 225439652 QUVRZBWXEVAEGU-IEBWSBKVSA-N 417.506 1.536 0 50 HDAA CN(C)Cc1ccc(C(N)=O)cc1NC(=O)NCCN1CCc2ccccc2C1=O 466588496 JKPFZRCKRDLKOP-UHFFFAOYSA-N 409.490 1.667 0 50 HDAA O=C(Nc1cccc(Oc2ccccn2)c1)C(=O)N1CCC[C@H](n2cc(CO)nn2)C1 479724210 ZQMCKZFLQHZWEY-KRWDZBQOSA-N 422.445 1.760 0 50 HDAA Nc1nc2c(c(C(=O)N3C[C@@H]4CC[C@H](C3)C(=O)N4Cc3cscn3)n1)CCCC2 1616095512 ZBPFANWWPICWHI-OCCSQVGLSA-N 412.519 1.657 0 50 HDAA COc1ccccc1CNC(=O)CN1C[C@@H]2CN(Cc3nccs3)C[C@@]2(CO)C1 1772809474 BWFJLALMBGMEMU-DYESRHJHSA-N 416.547 1.194 0 50 HDAA COCc1noc(CN2CC[C@@H](O)[C@H](NC(=O)c3cc4ccccc4s3)C2)n1 1857671945 ZDRZWKJDLSOOHL-ZIAGYGMSSA-N 402.476 1.796 0 50 HDAA O=C(NC[C@@H]1CN(CC2CCN(CC3CC3)CC2)C(=O)CO1)c1ncc(F)cc1F 1857675475 AGNXDHQEXLIMDM-QGZVFWFLSA-N 422.476 1.439 0 50 HDAA O=C(c1cnc[nH]1)N1CCC[C@@](O)(CN2CCC3(CC2)Nc2ccccc2NC3=O)C1 1857739858 WGYSEZIZXVCPGP-OAQYLSRUSA-N 424.505 1.276 0 50 HDAA OCCN=c1[nH]c(-c2cccnc2)nc2c1CC[C@@]21CCCN(Cc2cnc[nH]2)C1 1875246817 BBJIYJUMPZXCNH-JOCHJYFZSA-N 405.506 1.568 0 50 HDAA C[C@H](CCCNC(=O)[C@H]1CCC[C@@H]1S(C)(=O)=O)NC(=O)[C@H](O)c1ccccc1 1875344108 DSHFZVMWRHXYMS-LAVFITLUSA-N 410.536 1.334 0 50 HDAA CC[C@H](CNC(=O)[C@@]1(C)CCCCNC1=O)NC(=O)c1nnc(C(C)(C)C)s1 2325823878 HBIDBMCKYSGJET-BLVKFPJESA-N 409.556 1.767 0 50 HDAA CN[C@H](C(=O)N[C@@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)OC)c1cnn(C)c1 2325851022 NFHOXQPIVFEFQD-GJZGRUSLSA-N 414.384 1.480 0 50 HDAA O=C(c1cnc(C2CC2)[nH]1)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H]1C[C@@H](n3cnnc3)C1)C2 2325872506 APJBJKZJXUVGFF-FHORWPOSSA-N 409.494 1.782 0 50 HDAA CC(C)(C)OC(=O)N(CCO)[C@@H]1CCN(C(=O)N[C@H]2CCN(c3ccccn3)C2)C1 2325874199 DLOWCCDKTWHXIY-DLBZAZTESA-N 419.526 1.674 0 50 HDAA O=C1CC[C@@H](N2Cc3cc(C(=O)Nc4cccc5c4CCNC5)ccc3C2=O)C(=O)N1 2325896073 QHHNZVGILJAQEX-LJQANCHMSA-N 418.453 1.346 0 50 HDAA Cn1c(=O)c2c(ncn2CC(=O)Nc2ccc(OCc3ccccc3)cc2)n(C)c1=O 851781 UCGVIFKZVBPWLR-UHFFFAOYSA-N 419.441 1.651 0 50 HDAA biogenic O=C([C@@H]1CCCO1)N1CCN(c2cccc3c2C(=O)N(Cc2cccnc2)C3=O)CC1 12243098 NOEYOOCIOCZKIM-IBGZPJMESA-N 420.469 1.705 0 50 HDAA CN1CCN(C(=O)C[C@]2(c3ccccc3)CC(=O)N(Cc3cccnc3)C2=O)CC1 19836090 HCESYYKFGHSBPH-HSZRJFAPSA-N 406.486 1.443 0 50 HDAA Cc1cccc(Cn2c(SCCN3CCOCC3)nc3c2c(=O)[nH]c(=O)n3C)c1 19973498 MGVVHFKPIMBKMS-UHFFFAOYSA-N 415.519 1.204 0 50 HDAA O=C([C@H]1CC(c2ccc(F)cc2)=NO1)N1CCN(S(=O)(=O)c2ccccc2)CC1 20608263 SWJYVYUXIAMWSY-LJQANCHMSA-N 417.462 1.852 0 50 HDAA O=C([C@@H]1[C@@H]2C=C[C@@]3(CN(CCOc4ccccc4)C(=O)[C@@H]13)O2)N1CCC(F)CC1 77553589 ZELZOTYQICIHLZ-JYLXEMOASA-N 400.450 1.808 0 50 HDAA CCCS(=O)(=O)N1CCC(N2CCC[C@@H](C(=O)NCc3ccccn3)C2)CC1 82138444 GRPMUKXJAUDSQI-QGZVFWFLSA-N 408.568 1.614 0 50 HDAA NC(=O)c1nccnc1C(=O)N1CCC[C@H](c2nnc3ccc(C(F)(F)F)cn23)C1 468262422 SYJYADCHQFGJKZ-JTQLQIEISA-N 419.367 1.657 0 50 HDAA O=C1COc2cc(C(=O)N[C@H]3C4CN5CCN(C4)CC3(c3ccccc3)C5)ccc2N1 670448942 QBRKEQJCRCTBCH-NZAVSEOKSA-N 418.497 1.315 0 50 HDAA CC(C)C[C@H]1NC(=O)CNCCCOc2cccc(c2)-c2nccn2CCNC1=O 1875240268 OTOVNCNJMACFMU-LJQANCHMSA-N 413.522 1.569 0 50 HDAA CN(C)CCOCCC(=O)N[C@H]1C[C@@H](N=c2[nH]c(Cl)nc3[nH]ccc23)C1(C)C 1875325961 IHJOOPBFMMERDD-UONOGXRCSA-N 408.934 1.697 0 50 HDAA C[C@@]1(n2cc(CNC[C@H](Cc3cccc(O)c3)C(=O)O)cn2)CCS(=O)(=O)C1 2325851669 GEUUVDKDZMXIDR-QFBILLFUSA-N 407.492 1.156 0 50 HDAA CCOC(=O)c1c(N)n(-c2cccc(S(N)(=O)=O)c2)c2nc3ccccc3nc12 2260290 MMUXUIZDHJJINY-UHFFFAOYSA-N 411.443 1.980 0 50 HDAA COC(=O)c1cc(NC(=O)CS(=O)(=O)c2ccc(C)cc2)cc(C(=O)OC)c1 2871776 ROFWSWJSAOSJQZ-UHFFFAOYSA-N 405.428 1.981 0 50 HDAA CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C(=O)N3CCC(C)CC3)CC2)cc1 7616202 JIIDCIDTILZFEZ-UHFFFAOYSA-N 408.524 1.803 0 50 HDAA Cc1noc(C)c1CC(=O)N1CCC([C@]2(Cc3ccccc3)NC(=O)NC2=O)CC1 12167920 GYPDFUBYUOTEDL-QFIPXVFZSA-N 410.474 1.893 0 50 HDAA CCN1CCN(C(=O)Cn2cc(NC(=O)CSc3ccccc3)cn2)[C@@H](C)C1=O 12208334 AVBMGYYMDYAAJQ-HNNXBMFYSA-N 415.519 1.693 0 50 HDAA CC(C)CN1C[C@@H](OCc2cccc(F)c2)CN(C(=O)C2=NNC(=O)CC2)CC1=O 14732184 VXUXMBJQJYRPJV-QGZVFWFLSA-N 418.469 1.304 0 50 HDAA O=C1c2ccccc2C(=O)N1Cc1nc2ccccc2c(=O)n1CCN1CCOCC1 20481775 IZOIDJCILHHFAF-UHFFFAOYSA-N 418.453 1.525 0 50 HDAA Cc1cc(=NC(=O)CCc2nc(-c3ccccc3)no2)n([C@@H]2CCS(=O)(=O)C2)[nH]1 334159157 IPRBSSBBFHXAME-OAHLLOKOSA-N 415.475 1.594 0 50 HDAA C[C@](O)(C(=O)NC[C@H](O)COc1ccc2c(c1)CCC(=O)N2)c1ccc(Cl)cc1 815807842 VSYXYUXQNBMXKM-HRAATJIYSA-N 418.877 1.988 0 50 HDAA CNC(=O)[C@H](C)NC(=O)C[C@@H](c1ccc(OC)cc1)c1cc2c(cc1O)OCO2 823830675 GWAMKQCUSYYXGY-WFASDCNBSA-N 400.431 1.902 0 50 HDAA biogenic COC(=O)c1ccnc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)c1 1851532868 BGWUKJNNUDZQCP-OAHLLOKOSA-N 407.423 1.799 0 50 HDAA O=C(N[C@H](CO)c1cc(F)c(F)c(F)c1)[C@H](O)[C@H](O)c1nc2ccccc2s1 1875258156 GLJIKKUAIPCYPQ-WQVCFCJDSA-N 412.389 1.958 0 50 HDAA CO[C@@H](C)[C@@H](NC(=O)c1cncc(F)c1)c1cn(-c2cncc(C(=O)O)c2)nn1 1875324905 NORFANPJLZZOCS-MGPLVRAMSA-N 400.370 1.401 0 50 HDAA COc1cc(CS(=O)(=O)NC(=O)[C@@H]2CC(=O)N([C@H](C)c3ccccc3)C2)sn1 2325819438 DSSDFXMHKHQBFK-TZMCWYRMSA-N 423.516 1.707 0 50 HDAA Cc1cc2c(cc1C)O[C@@H](C(=O)N1C[C@@H]3C[C@H]1CN3C(=O)c1cn(CCO)nc1C)C2 2325829635 OIKAHPZOTHNQGC-BBTUJRGHSA-N 424.501 1.230 0 50 HDAA CC(=O)N[C@H](CC(=O)NS(=O)(=O)c1cnc2ccccn12)c1ccc(F)cc1F 2325862582 ZSIKBQVIDHENKY-OAHLLOKOSA-N 422.413 1.685 0 50 HDAA O=S(=O)(c1ccc(Cl)cc1)N1CCN(S(=O)(=O)N2CCCCCC2)CC1 2882343 VVSUQGHMHWQARH-UHFFFAOYSA-N 421.972 1.767 0 50 HDAA COc1ccc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3c(C)n[nH]c3C)C2)cc1 5005165 DHDARIPYUWGVTR-MRXNPFEDSA-N 406.508 1.752 0 50 HDAA Cc1ccc(-n2nnnc2SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 8951748 CWIUCBGMWFKOMT-UHFFFAOYSA-N 404.477 1.349 0 50 HDAA CCOC(=O)C[C@H]1COCCN1C(=O)c1ccc(OC2CCN(C)CC2)c(OC)c1 12027450 JNHPQGJZRVPEMW-KRWDZBQOSA-N 420.506 1.962 0 50 HDAA COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NCCc2cccnc2)c(OC)c1 12320473 XSPMIHPWKPJPIY-LJQANCHMSA-N 412.490 1.148 0 50 HDAA O=C1N[C@@H](Cc2ccccc2)C(=O)N2CCN(C(=O)c3cc(F)c(F)cc3F)C[C@H]12 14540213 PSMXZDCLXCJYMQ-ZWKOTPCHSA-N 417.387 1.498 0 50 HDAA COc1cc(C)c(S(=O)(=O)NCCNc2ccc(-n3cccn3)nn2)cc1C 19924328 KRLXHOTVMSCICK-UHFFFAOYSA-N 402.480 1.678 0 50 HDAA Cc1cccc(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N(C)CCc3cn[nH]c3)[C@H]4C2=O)c1 77377808 DLVQEMSGSZUKIJ-SRYPRDQNSA-N 406.486 1.701 0 50 HDAA Cc1[nH]nc(CCC(=O)N2CCC3(CCC(=O)N([C@H]4CCN(C)C4)C3)CC2)c1C 95519760 MAAMTUXLEQXNFJ-SFHVURJKSA-N 401.555 1.894 0 50 HDAA COc1ccc(CCN2C(=O)N[C@@H](CC(=O)Nc3nc(C)cs3)C2=O)cc1OC 170625622 RDHSPSRKZBBIPB-ZDUSSCGKSA-N 418.475 1.960 0 50 HDAA Cn1nccc1C(=O)NC[C@@H]1CCCN(Cc2cnc(N3CCOCC3)s2)C1 885939208 VRPCFRTWJQQWIP-HNNXBMFYSA-N 404.540 1.355 0 50 HDAA CCN1CC[C@H](N(C)c2ncnc3c2ncn3C[C@H](CO)[C@H]2CCOC2)C[C@@H]1C 888097232 FVIPZBRBHVTKGL-FJIDUMEYSA-N 402.543 1.780 0 50 HDAA O=C1CCc2c1cccc2C(=O)N1CCCN(S(=O)(=O)N2CCCCC2)CC1 952981559 ISRFSHLGLJHCTR-UHFFFAOYSA-N 405.520 1.694 0 50 HDAA O=C(c1nnc2n1CCCCC2)N1CC[C@H]2[C@@H]1CC(=O)N2C1Cc2ccccc2C1 1857681745 ABTBQBYJWUVWQG-OALUTQOASA-N 405.502 1.987 0 50 HDAA NC(=O)NC(=O)[C@@H](OC(=O)CCC(=O)N1CCOc2ccccc21)c1ccccc1 1875257236 FHOGDELKVMRIGU-IBGZPJMESA-N 411.414 1.672 0 50 HDAA O=C(c1cccc(N=c2nn[nH][nH]2)c1)N1CCN(Cc2nc3ccccc3[nH]2)CC1 1875308930 IRYYXEHZJFGXCN-UHFFFAOYSA-N 403.450 1.200 0 50 HDAA C[C@@H]1C[C@@H](C(=O)N[C@H](Cc2cc(I)ccc2F)C(=O)O)CO1 2325877289 NVYBCMZQKPPRGT-ZDSQKVDBSA-N 421.206 1.967 0 50 HDAA O=C(CSc1nnc2ccccn12)N1CCN(c2nnnn2-c2ccccc2)CC1 12249939 QKAOQOPFEWTPBP-UHFFFAOYSA-N 421.490 1.146 0 50 HDAA CS(=O)(=O)N1CCC(Oc2ccccc2C(=O)NCCc2cscn2)CC1 12431181 PXPMHGLVJLKYEN-UHFFFAOYSA-N 409.533 1.918 0 50 HDAA CCOC(=O)N1CCN([C@H]2CCCN(C(=O)C(=O)CCc3ccccc3)C2)CC1 20449499 DFCKIGMAGMTDCZ-IBGZPJMESA-N 401.507 1.953 0 50 HDAA CCOC(=O)c1cc(CC)sc1NC(=O)CN1CCN(C(=O)[C@H]2CCCO2)CC1 35802379 VQHBZOZQAAOWLY-MRXNPFEDSA-N 423.535 1.749 0 50 HDAA CC(=O)c1ccc(N2CCC(N3CCC[C@@H](C(=O)N4CCOCC4)C3)CC2)nc1 71524171 FDBQHGINAXKQND-LJQANCHMSA-N 400.523 1.824 0 50 HDAA COc1ccc(-c2cn3cc(C(=O)N4CC=C[C@H]4CO)nc3c(=O)n2CC2CC2)cc1 72481525 DJFLGFNUVIBWQN-KRWDZBQOSA-N 420.469 1.955 0 50 HDAA COc1cc(C(=O)NCCc2nncn2C)ccc1OC1CCN(C(C)=O)CC1 95530391 RKMKCNWVKOSLIR-UHFFFAOYSA-N 401.467 1.186 0 50 HDAA Cn1nnnc1SCC(=O)N1CC[C@]2(CCCN(CCc3ccccc3)C2=O)C1 426544614 BDEIBKJLUWOMIZ-HXUWFJFHSA-N 414.535 1.386 0 50 HDAA COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)N[C@@H](C)C(C)(C)CN(C)C)c1 443887040 FYVNEEUQHLAYOE-LBPRGKRZSA-N 400.497 1.514 0 50 HDAA Cc1ccc(C(=O)N2CCC(C(=O)N3CCC(NS(C)(=O)=O)CC3)CC2)cc1 825168442 KQXRSKXOYVAAJN-UHFFFAOYSA-N 407.536 1.387 0 50 HDAA Cc1cc(C)n(CCC(=O)NCc2c3c(c(O)c4c2OCO4)C(=O)N(C)CC3)n1 827822383 KRWPFPJLPWFTFK-UHFFFAOYSA-N 400.435 1.269 0 50 HDAA biogenic CN(C)c1ncc2c(n1)[C@@]1(CCCN(c3cc(C(=O)N4CCOCC4)ccn3)C1)CC2 1704324682 CQJPLBRMDKFCAT-QHCPKHFHSA-N 422.533 1.894 0 50 HDAA CNc1ncccc1C(=O)N1C[C@H]2CN(CCn3cc(Cl)cn3)C[C@]2(CO)C1 1772711047 VQIHXXLVMYGCRE-AUUYWEPGSA-N 404.902 1.040 0 50 HDAA Cn1ccnc1[C@]1(CNC(=O)c2cc3c(Cl)cc(Cl)cc3[nH]2)NC(=O)NC1=O 1775985562 VGUBRTSOPMLPCV-KRWDZBQOSA-N 421.244 1.673 0 50 HDAA C[C@@H](C(=O)NC1CC(NC(=O)[C@H](C)N(C)CC(F)(F)F)C1)N(C)CC(F)(F)F 2325729113 JMJNOIWOXXBZKK-JYBOHDQNSA-N 420.398 1.515 0 50 HDAA COc1cc(CC(=O)N[C@H]2C[C@H](NC(=O)Cc3cc(OC)no3)C23CCC3)on1 2325816600 GLWDVZXEHDXHRV-KBPBESRZSA-N 404.423 1.009 0 50 HDAA CNc1ccc(CNC(=O)c2ccc3c(c2)CN([C@@H]2CCC(=O)NC2=O)C3=O)cc1 2325895540 CQHFMGZCVDOSNJ-GOSISDBHSA-N 406.442 1.419 0 50 HDAA COc1ccc(OC)c(N(CC(=O)N2CCOCC2)S(=O)(=O)c2ccccc2)c1 704888 IWXWHFSLQATMGL-UHFFFAOYSA-N 420.487 1.758 0 50 HDAA COc1ccc(OC)c(CNC(=O)[C@H]2CCC(=O)N(CCCN3CCCC3=O)C2)c1 12193675 WEIJIRVICRZPCZ-INIZCTEOSA-N 417.506 1.571 0 50 HDAA COC[C@@H](C)NC(=O)c1ccc(OC2CCN(S(C)(=O)=O)CC2)c(Cl)c1 12385254 YUIQKCFSGVZLSH-GFCCVEGCSA-N 404.916 1.908 0 50 HDAA CC(C)CN1C[C@@H](OCc2cccc(F)c2)CN(C(=O)Cn2cncn2)CC1=O 14535296 NRNSPXBCFLXOBY-GOSISDBHSA-N 403.458 1.329 0 50 HDAA COC(=O)C1CCN(C[C@@H](O)COc2ccc(CNCCOC(C)C)cc2)CC1 15063459 OAEFHVIPJSNVMY-HXUWFJFHSA-N 408.539 1.826 0 50 HDAA O=C1C[C@H](C(=O)Nc2ccc(Cl)cc2)NC(N2CCN(c3ccccn3)CC2)=N1 18240897 UUWLJUSAFAMLJK-MRXNPFEDSA-N 412.881 1.740 0 50 HDAA CCc1ccc(S(=O)(=O)N2CCN(c3cc(N4CCOCC4)ncn3)CC2)cc1 38530769 LLDKNCRVUJJTSU-UHFFFAOYSA-N 417.535 1.387 0 50 HDAA CSCCC(=O)N1CCC2(CC1)CN(CCN1CCN(C(C)C)CC1)C(=O)O2 77356173 QFJQXBSTCKMCPA-UHFFFAOYSA-N 412.600 1.579 0 50 HDAA O=C(c1cnn2ccccc12)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CC1 95512356 XNUCKOSPNZVBJZ-UHFFFAOYSA-N 404.474 1.984 0 50 HDAA COc1ccc(OC)c(S(=O)(=O)N(C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)c1 247930814 SDABRMWWGYBBTK-DZGCQCFKSA-N 419.521 1.061 0 50 HDAA COc1ccc(OC)c2c1[C@H]1[C@@H]3[C@@H]4[C@H]3[C@H]3[C@@]15C[C@@H](n1[nH]c(=O)n(C)c1=O)C=C[C@]35[C@@H]24 248041086 OGQGXENRZAODAB-AELDAMCHSA-N 405.454 1.766 0 50 HDAA COc1ccc(CN2C(=O)[C@@H](CCC(=O)N[C@@H](CO)c3ccccc3)N=C2O)cc1 252569056 VVXQADZSYSIAAW-MOPGFXCFSA-N 411.458 1.950 0 50 HDAA COc1ccc(CN2C(=O)[C@@H](CC(=O)NCCn3cnc4ccccc43)N=C2O)cc1 253394788 PWNILYULYDEBPJ-GOSISDBHSA-N 421.457 1.876 0 50 HDAA COCCn1cc([C@H]2[C@H](CNC(=O)c3cccn3C)CC(=O)N2C(C)(C)C)cn1 328607926 XMPQRHSWODVWMB-HNAYVOBHSA-N 401.511 1.986 0 50 HDAA CN(CC(=O)Nc1ccc(N2CCCC2)c2ncccc12)[C@H]1CCS(=O)(=O)C1 952970280 KHIUPTHXILXFQG-HNNXBMFYSA-N 402.520 1.892 0 50 HDAA COCCn1ccnc1CN1C[C@@H]2CN(C3CSCCSC3)C[C@]2(CO)C1 1772708452 DCDCEELYAYRJMG-APWZRJJASA-N 412.625 1.104 0 50 HDAA Cc1nnc(CN(C)C(=O)[C@H]2CC(=O)N(c3nnc(Cc4ccccc4)s3)C2)o1 1857700525 IZOSLNNNXDFCGH-AWEZNQCLSA-N 412.475 1.832 0 50 HDAA CC(=O)N1CC(=O)N2[C@@H](C[C@H](C(=O)NCCOc3ccccc3)[C@@H]2CC(C)C)C1 1857738982 HLVWLGHMZKAUAW-IHPCNDPISA-N 401.507 1.676 0 50 HDAA O=C(OCC1=Nc2cccc(F)c2S(=O)(=O)N1)c1cc(Br)no1 1875338621 FALLVWQYZZBURZ-UHFFFAOYSA-N 404.173 1.755 0 50 HDAA Cc1ccc(C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1S(=O)(=O)N1CCCCCC1 4318259 ANFMAYJIQVVXFB-MRXNPFEDSA-N 414.549 1.477 0 50 HDAA COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)N(C)Cc2ccccn2)cc1OC 11665286 APYMMQLWUJJJNQ-SFHVURJKSA-N 412.490 1.448 0 50 HDAA Cn1nc(C(=O)N2CCC[C@@H](N3CCN(c4cccc(Cl)c4)CC3)C2)ccc1=O 12297661 VMLWQRNRAXOXMN-GOSISDBHSA-N 415.925 1.861 0 50 HDAA Cc1nonc1OCCNCc1ccccc1OC[C@@H](O)CN1CCSCC1 12571362 AFUQFZQFJKSKGE-KRWDZBQOSA-N 408.524 1.335 0 50 HDAA CC(C)CN1C[C@H](OCc2ccccc2F)CN(C(=O)[C@H]2CNC(=O)C2)CC1=O 14752527 USAUWPCLKOKBAA-SJORKVTESA-N 405.470 1.174 0 50 HDAA COCCN(C)CCN1CC2(CCN(C(=O)c3cccnc3OC)CC2)OC1=O 77322618 OHIHDBQWKWXRLJ-UHFFFAOYSA-N 406.483 1.095 0 50 HDAA CN(C)C(=O)N1CC[C@]2(O)CCN(Cc3cccc(N4CCOCC4)c3)C[C@@H]2C1 95388063 JYGRSLCRMQVXKG-DENIHFKCSA-N 402.539 1.464 0 50 HDAA COc1ccc(CN2C(=O)[C@H](CCC(=O)N[C@@H](CO)C(C)C)N=C2O)cc1OC 252533206 GFZNBYWXERKFMV-GJZGRUSLSA-N 407.467 1.242 0 50 HDAA Cn1cnc2ccc(NC(=O)CCCC[C@@H]3SC[C@H]4NC(=O)N[C@H]43)cc2c1=O 334162169 OPVVWDNAHFYOGT-HLLBOEOZSA-N 401.492 1.598 0 50 HDAA COc1ccc([C@@H]2[C@@H](CO)OCCN2C(=O)c2cc(C(C)C)nc(N)n2)cc1OC 1529192522 WOGKVZUOHRCVSC-RTBURBONSA-N 416.478 1.774 0 50 HDAA COc1ccc(F)c(F)c1CN1C[C@@H]2CN(C(=O)c3ccnn3C)C[C@]2(CO)C1 1772809698 CPVXGZDPEKVMJT-XCLFUZPHSA-N 406.433 1.273 0 50 HDAA CN(C)S(=O)(=O)N1C[C@H]2CN(Cc3ncc[nH]3)C[C@@]2(CCc2ccccc2)C1 1772816222 IWMAFEJDLHBNKB-QUCCMNQESA-N 403.552 1.583 0 50 HDAA O=C(NC[C@@H]1CN(CC2CCN(CC3CC3)CC2)C(=O)CO1)c1cccn1C1CC1 1857667071 IFNLSWYHCHILIH-HXUWFJFHSA-N 414.550 1.902 0 50 HDAA CN(C)C(=O)N1CCC(C(=O)N2CCN3[C@@H](c4ccccc4)COC[C@H]3C2)CC1 1857715239 IGXSIEAKWLQPPE-WOJBJXKFSA-N 400.523 1.664 0 50 HDAA Cc1nn(CC(=O)N2CC[C@@]34OC[C@@H](C(C)C)N3C(=O)C[C@@H]24)c(=O)c2ccccc12 1857719721 TWKFDTDIYMCSJU-SVMVAKDDSA-N 410.474 1.289 0 50 HDAA Cc1nsnc1C(=O)N1CCO[C@@H](CN2CCC(O)CC2)[C@@H]1c1ccccc1 1857721342 KUMVFAPYUWDHAC-HKUYNNGSSA-N 402.520 1.886 0 50 HDAA CC(C)Oc1ccc(C(=O)NC[C@]2(c3nccn3C)NC(=O)NC2=O)c(Cl)c1 1875273641 WXOGUUHSRKYBRY-GOSISDBHSA-N 405.842 1.325 0 50 HDAA Cc1cc2nc[nH]c(=NC[C@@]34CCCC[C@H]3CN(C(=O)CN3CCOCC3)C4)c2[nH]1 1875327620 BXCJUAOXHMVXSW-HTAPYJJXSA-N 412.538 1.451 0 50 HDAA CC(=O)Cn1c(=O)c2c(nc(-n3nc(C)c(C)c3C)n2CCC(C)C)n(C)c1=O 12518269 ZOXUVTSGJJRAQJ-UHFFFAOYSA-N 400.483 1.643 0 50 HDAA CC(C)C[C@@H]1NC(=O)[C@H]2CN(S(=O)(=O)c3ccc4ccccc4c3)CCN2C1=O 14732651 FVQSAGHMLWHQGS-RBUKOAKNSA-N 415.515 1.586 0 50 HDAA COc1ccc(C(=O)NCCNc2cc(N3CCOCC3)nc(C)n2)cc1OC 65362843 WJTBIPWAHXUHQS-UHFFFAOYSA-N 401.467 1.481 0 50 HDAA Cc1cnc(C)c(N2CCN(C(=O)CC[C@]3(CCC(=O)O)CCC(=O)N3)CC2)n1 223743730 ZFTUXNMJAXLPEI-FQEVSTJZSA-N 403.483 1.036 0 50 HDAA O=C1NC(=O)C2(CCN(C(=O)c3ccc4c(c3)C[C@H](c3ccccc3)OC4=O)CC2)N1 823630737 SJMYCTNDTUPRPB-GOSISDBHSA-N 419.437 1.955 0 50 HDAA COc1ccc(N2CCN(CC(=O)Nc3nnc([C@H]4CCCO4)s3)CC2)cn1 1857694250 HNKRTFQFKYGLOT-CQSZACIVSA-N 404.496 1.554 0 50 HDAA O=C(Cn1cccn1)N1CCO[C@]2(CCN(Cc3nc(-c4ccccc4)no3)C2)C1 1857705295 BEBKZMGUCYHQPW-NRFANRHFSA-N 408.462 1.437 0 50 HDAA CCN1CCO[C@@H](CNC(=O)N2CCN([C@H](CO)c3cccc(Cl)c3)CC2)C1 1875261834 FTHUOFTVWQEOTE-RBUKOAKNSA-N 410.946 1.421 0 50 HDAA C[C@@H](O)CNC(=O)C[C@@H](c1ccc2c(c1)OCO2)c1c(O)nc2ccccn2c1=O 2049252092 ODQNGQVAFCMCTC-OCCSQVGLSA-N 411.414 1.148 0 50 HDAA Cc1nn(-c2nn[nH]n2)c(C)c1NC(=O)c1cccc(NC(=O)[C@@H]2CCCO2)c1C 2100540084 CJZDKKZNWVNNBF-HNNXBMFYSA-N 410.438 1.680 0 50 HDAA Cc1cnn(C2CCN(C(=O)NC[C@@H]3CS(=O)(=O)c4ccccc4O3)CC2)c1 2325820481 ZMKYQRFQIIITJS-MRXNPFEDSA-N 404.492 1.773 0 50 HDAA CSCC[C@H](NC(=O)c1ccccc1)C(=O)OCC(=O)Nc1nnc(C)s1 2854843 CVGZYFIYVYSFAQ-ZDUSSCGKSA-N 408.505 1.880 0 50 HDAA O=C(CSc1nc(N2CCOCC2)nc(N2CCOCC2)n1)c1ccccc1 4867616 GUQYLWFSYKESDY-UHFFFAOYSA-N 401.492 1.520 0 50 HDAA COC(=O)c1ccc(CNC(=O)C[C@@H]2C(=O)NCCN2CCc2ccccc2)cc1 12750509 LVCINYULBAXGHE-HXUWFJFHSA-N 409.486 1.523 0 50 HDAA COC[C@H](C)NC(=O)[C@H]1CCCN(c2nc(C)c3ccc(S(C)(=O)=O)cc3n2)C1 14887149 KSMPIDZWGCRACC-ZFWWWQNUSA-N 420.535 1.709 0 50 HDAA CC(C)S(=O)(=O)c1ncc(CN2CCCN(C=O)CC2)n1CCc1ccccc1 19772901 TYGHXSOISTYHIU-UHFFFAOYSA-N 418.563 1.972 0 50 HDAA C[C@H]1CN(CC(=O)NC[C@H](c2cccnc2)N2CCOCC2)Cc2ccccc2O1 20138622 NMSVSULXQVDDIK-GHTZIAJQSA-N 410.518 1.854 0 50 HDAA O=C(c1ccccc1)[C@H]1CCCN(C(=O)CCn2nnnc2CN2CCOCC2)C1 20917074 OCXNEAGKDADYMW-SFHVURJKSA-N 412.494 1.017 0 50 HDAA CCOC(=O)c1ccc(NC(=O)C[C@@H]2SC(=O)N(CN3CCOCC3)C2=O)cc1 22215684 CRGCVFQOBXUDCN-HNNXBMFYSA-N 421.475 1.546 0 50 HDAA Cc1ccc(C)c(S(=O)(=O)N2CCN(c3cc(N4CCOCC4)ncn3)CC2)c1 38530810 LRCKZKMFROKASI-UHFFFAOYSA-N 417.535 1.441 0 50 HDAA CN(C)C(=O)N1CCC(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)CC1 47977520 FELSFKZIICXVEE-UHFFFAOYSA-N 408.524 1.803 0 50 HDAA COc1cccc(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N(C)Cc3cnn(C)c3)[C@@H]4C2=O)c1 77472370 NOEUQOXJKAONQO-GJPOJAMWSA-N 422.485 1.369 0 50 HDAA O=C1CCN(C(=O)[C@@H]2CCCN(C3CCN(CCc4ccccc4)CC3)C2)CCN1 82120495 CXZCUUORTAGNIW-OAQYLSRUSA-N 412.578 1.754 0 50 HDAA CS(=O)(=O)CC[C@H]1NC(=O)N(CC2(c3ccccc3Br)CC2)C1=O 170592650 MGBNPPZWYOYTOZ-CYBMUJFWSA-N 415.309 1.836 0 50 HDAA O=C1[C@H]2[C@@H]3C=C[C@@H]([C@@H]4C(=O)N(c5cccnc5)C(=O)[C@H]34)[C@H]2C(=O)N1c1cccnc1 244741905 NYRYURCICOJXHW-PTZATXGZSA-N 400.394 1.204 0 50 HDAA C[C@H](NC(=O)CN(Cc1ccco1)[C@H]1CCS(=O)(=O)C1)c1ccc2c(c1)OCO2 252486978 QLPBNVPFBHFINP-HOCLYGCPSA-N 420.487 1.875 0 50 HDAA CCOC(=O)[C@@]12CC[C@H](N3CCOCC3)C[C@H]1CCN(C(=O)c1nsnc1C)C2 1857688359 FPFVGVJPGZPGMO-GQIGUUNPSA-N 422.551 1.743 0 50 HDAA CCc1noc(CN2CCOC3(CCN(Cc4cn(C)nc4C)CC3)CC2=O)n1 1857696260 UCIMDBXDKWSHIX-UHFFFAOYSA-N 402.499 1.458 0 50 HDAA C[C@@H](OC1CN(C(=O)c2cc(S(=O)(=O)N3CCCCC3)cn2C)C1)C(F)(F)F 2325793469 VZWYKGRDZKZQHX-GFCCVEGCSA-N 423.457 1.992 0 50 HDAA Cn1c(=O)c2cc(S(=O)(=O)NCc3conc3C(C)(C)C)ccc2n(C)c1=O 2325825161 GWLHLVRUEOUFPI-UHFFFAOYSA-N 406.464 1.001 0 50 HDAA CNC(=O)Cc1nc(-c2cc(-c3ccccc3F)[nH]n2)n(C[C@H]2COCCO2)n1 2356142080 COQQCKHWUMQAEN-LBPRGKRZSA-N 400.414 1.178 0 50 HDAA CCOC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)OCC)[C@@H]1c1ccc(OC)c(OC)c1 4099581 SSFQCYJOBBZRIP-IKVWTGGYSA-N 408.447 1.870 0 50 HDAA O=C(CCC(=O)N1CCN(c2ccccn2)CC1)N1CCN(c2ccccc2)CC1 7095186 OCUQFVYVZAFRPS-UHFFFAOYSA-N 407.518 1.859 0 50 HDAA COC(=O)C1CCN(C[C@@H](O)COc2ccc(CN(C)Cc3ccno3)cc2)CC1 11818413 AOYRRTUCNNKFAO-LJQANCHMSA-N 417.506 1.931 0 50 HDAA CC[C@H](C)[C@@H]1NC(=O)[C@H]2CN(Cc3cnn(-c4ccccc4OC)c3)CCN2C1=O 14751889 QEOCTDZNOGAITL-CVAIRZPRSA-N 411.506 1.438 0 50 HDAA COc1ccc(Cl)cc1S(=O)(=O)N(C)CC(=O)N1CCC(C(=O)O)CC1 16625984 GTOLKKDPIHCTBB-UHFFFAOYSA-N 404.872 1.292 0 50 HDAA CN(CCOc1ccccc1)C(=O)[C@@H]1CCC(=O)N(CCCN2CCOCC2)C1 19794632 PHNYUDIMQYLTIH-LJQANCHMSA-N 403.523 1.485 0 50 HDAA Cc1ccc(N2C[C@]34C=C[C@H](O3)[C@H](C(=O)N3CCc5n[nH]cc5C3)[C@@H]4C2=O)cc1C 77355311 AKSAOVNAOFSKJN-GJPOJAMWSA-N 404.470 1.898 0 50 HDAA COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)c1cc(C(C)C)on1)CC2 95529309 DUSZHVFFLLTXES-UHFFFAOYSA-N 401.467 1.684 0 50 HDAA CCOC(=O)N1CCN(C(=O)CN2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)CC1 225471963 TWZLEFQKTDBEHV-IYBDPMFKSA-N 410.515 1.086 0 50 HDAA O=C(CC[C@H]1N=C(O)N(Cc2cccc(Cl)c2)C1=O)NCCN1CCOCC1 252532824 FHAACNYVONRKIL-MRXNPFEDSA-N 408.886 1.193 0 50 HDAA CCS(=O)(=O)NCc1ccc(C(=O)NC[C@]2(O)[C@H]3[C@H]4C[C@@H]5[C@@H]6[C@H]4[C@H]2[C@@H]6C[C@H]53)cc1 428016456 WUCGJNNZAJEPAI-CMHOHELDSA-N 416.543 1.365 0 50 HDAA C[C@@H]1Oc2ccc(C(=O)C3CCN(Cn4nc5ccccn5c4=O)CC3)cc2NC1=O 727425456 ZFQMXUIHAJNGPN-AWEZNQCLSA-N 421.457 1.768 0 50 HDAA C[C@@H](NC(=O)C(=O)Nc1ccccc1N1CCN(C)CC1)c1nnc2ccccn12 915749179 BLXXWDBMXOPVRQ-OAHLLOKOSA-N 407.478 1.297 0 50 HDAA CCC(=O)N1CCC(C(=O)NC2CCN(S(=O)(=O)c3ccccc3)CC2)CC1 952984249 JLJMKBAQRYBPIH-UHFFFAOYSA-N 407.536 1.605 0 50 HDAA CCn1nc(C)c(CN(CCOC)S(=O)(=O)N2CCC[C@H](COC)C2)c1C 1506405518 CEOQILJAZXYTHK-KRWDZBQOSA-N 402.561 1.571 0 50 HDAA Cc1ccc(N2C[C@@H]3[C@H](CNS(=O)(=O)c4ccc(F)cc4)[C@H]4CC[C@]3(C2)O4)nn1 1704315800 WGAZWWUWDJQCLY-JRBPQWBISA-N 418.494 1.886 0 50 HDAA CCCn1ncc(CN2C[C@@H]3CN(c4nc(N)nc(C)c4Cl)C[C@@]3(CO)C2)c1C 1772819057 ONKVUWKLXHMCDI-OXQOHEQNSA-N 419.961 1.866 0 50 HDAA CN1CCn2nc(-c3nc([C@@H](O)c4ccccc4)nn3-c3ccnn3C)cc2C1=O 1857676997 OVNGKJFUEKOMLK-KRWDZBQOSA-N 404.434 1.032 0 50 HDAA O=C(N[C@@H]1CN2CCCC[C@]2(C(=O)NCC2CCOCC2)C1)c1ccc(O)cc1 1857689971 QXBGBVAIDJGWRN-PGRDOPGGSA-N 401.507 1.662 0 50 HDAA COCCn1nnc([C@H]2CN(c3ncnc(Oc4cccnc4C)c3C)CCO2)n1 1857719999 ZJBFIBRHWCDXFV-MRXNPFEDSA-N 412.454 1.492 0 50 HDAA NC(=O)Cc1nc(CCCc2nc3ccccc3s2)n(C[C@H]2COCCO2)n1 1857735315 CJGDDCWSLOZBAQ-ZDUSSCGKSA-N 401.492 1.506 0 50 HDAA CCc1cc(C(=O)N2CCC[C@@H]2[C@H]2CCN(C(=O)CC[C@H]3CCC(=O)NC3)C2)n[nH]1 1875362046 NXMIODQDNKQZPM-JTDSTZFVSA-N 415.538 1.732 0 50 HDAA C=CC(=O)Nc1ccc(O)c(C(=O)N2CCC[C@@H](N3CCCS3(=O)=O)CC2)c1 1875371723 KGWOYEPPBNCNCS-OAHLLOKOSA-N 407.492 1.547 0 50 HDAA CCN1C[C@H](C(=O)N2CCC[C@H](NC(=O)c3cccc(C(N)=O)c3)CC2)CCC1=O 2325864753 ZDHKACYEBNTGRW-MSOLQXFVSA-N 414.506 1.155 0 50 HDAA O=C1CC[C@H](N2Cc3cc(NC(=O)N4C[C@@H]5C[C@]5(C(F)F)C4)ccc3C2=O)C(=O)N1 2325901571 LPDULOAXCZGNMQ-YZIJFISFSA-N 418.400 1.567 0 50 HDAA CC1=C(C(=O)NCc2ccccc2)[C@@H](c2ccccc2OCC(N)=O)NC(=S)N1 4810201 LZPZPHSPEVKSSU-LJQANCHMSA-N 410.499 1.660 0 50 HDAA CCOC(=O)Cn1c(=O)c2c(nc3n([C@@H](C)c4ccccc4)c(C)cn23)n(C)c1=O 10233494 LLWMBNJOXLBSJS-AWEZNQCLSA-N 409.446 1.630 0 50 HDAA C[C@@H]1CS(=O)(=O)N(c2cccc(C(=O)N3CCN(c4ccccc4)CC3)c2)C1=O 11859409 JPCNNQNSPYICKZ-MRXNPFEDSA-N 413.499 1.962 0 50 HDAA NS(=O)(=O)c1ccc(NC(=O)C2CCN(C(=O)c3cccc(F)c3)CC2)cc1 12864161 RPLUOSHDXQTZMG-UHFFFAOYSA-N 405.451 1.964 0 50 HDAA Cc1ccc(C)c(CN2CCc3nnc(CCNC(=O)[C@@H]4CCCN(C)C4)n3CC2)c1 14974066 CJYZVHICUZNKIG-HXUWFJFHSA-N 424.593 1.954 0 50 HDAA CN(CCc1cn[nH]c1)C(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(Cc4ccc(F)cc4)C(=O)[C@H]13)O2 77377567 GPOZEMRDJDNFBE-OZIGNCPNSA-N 410.449 1.532 0 50 HDAA CC1=NN(C(=O)C(=O)N2N=C(C)[C@@H]3[C@@H]4[C@H](C[C@@]32O)C4(C)C)[C@]2(O)C[C@@H]3[C@H]([C@@H]12)C3(C)C 252320645 IRCYFCMAOKHGHL-VCAWQNAPSA-N 414.506 1.384 0 50 HDAA COc1ccc(S(N)(=O)=O)cc1C(=O)N1CCC[C@@H](C(=O)c2ccccn2)C1 1506421629 KMAMSSGTPCSLHZ-CYBMUJFWSA-N 403.460 1.473 0 50 HDAA CCOC(=O)c1sc2ccccc2c1CN1CCN([C@@H](C)C(=O)NC(N)=O)CC1 1857528181 LPYHJOWSRRHTLH-ZDUSSCGKSA-N 418.519 1.779 0 50 HDAA COc1ccc(NC(=O)N[C@@H]2C[C@H]3CO[C@@H](CC(=O)N(C)C)CN3C2)cc1OC 1857731609 MAVSKPSOAUMIOG-PMPSAXMXSA-N 406.483 1.145 0 50 HDAA COCCN(C(=O)[C@H](O)CN[C@H]1CCOC1)[C@@H](C)c1cccc(C(F)(F)F)c1 1875308366 CBSHLTBHNRYYGV-RRQGHBQHSA-N 404.429 1.981 0 50 HDAA O=C(O)CN1CCN(C(=O)[C@@H](Cc2cn(CCc3ccccc3)nn2)C2CC2)CC1 1875326511 JNRHNNPAWPPOGF-FQEVSTJZSA-N 411.506 1.318 0 50 HDAA O=C(C[C@H]1CC(=O)NC1=O)NCC1(NC(=O)c2cccc3nc(O)ccc23)CCCC1 1875359196 XSRKPJVJYZKREN-ZDUSSCGKSA-N 424.457 1.152 0 50 HDAA C[C@@H](O)CNC(=O)C[C@H](c1ccc2c(c1)OCO2)c1c(O)nc2ccccn2c1=O 2049252093 ODQNGQVAFCMCTC-TZMCWYRMSA-N 411.414 1.148 0 50 HDAA COC12CCC(C(=O)N[C@@H]3CCN(C(=O)c4ccc(S(C)(=O)=O)o4)C3)(CC1)C2 2325827575 KKZRPDKPZFPRNC-XYJCDUHRSA-N 410.492 1.363 0 50 HDAA Cc1cccc(C)c1C(=O)NCc1ccc2c(c1)C(=O)N([C@H]1CCC(=O)NC1=O)C2 2325886957 PASRIHVEZLAROY-SFHVURJKSA-N 405.454 1.994 0 50 HDAA CCOC(=O)C1CCN(C(=O)CN(C)S(=O)(=O)c2cc(C)ccc2OC)CC1 4195909 AUKFXNKEWOXYBB-UHFFFAOYSA-N 412.508 1.426 0 50 HDAA O=C(NCCOc1ccc(F)cc1)[C@H]1CCC(=O)N(CCCN2CCCC2=O)C1 12022261 QLZRNAZDYCLMRJ-INIZCTEOSA-N 405.470 1.572 0 50 HDAA O=C1N[C@H](Cc2ccc(O)cc2)C(=O)N2C[C@@H](NCc3ccc4ncccc4c3)C[C@@H]12 14747452 QTLSYSWMEMXRGE-BWAGFHJFSA-N 416.481 1.741 0 50 HDAA O=C1CC[C@H](C(=O)N2CCOc3ccc(Cl)cc3C2)CN1CCN1CCOCC1 19743569 WRSJITYLDNQXOJ-INIZCTEOSA-N 421.925 1.632 0 50 HDAA CCS(=O)(=O)N1CCC[C@@H](C(=O)NCc2ccccc2CN2CCOCC2)C1 72434145 DHNHEKMITOAEAM-LJQANCHMSA-N 409.552 1.197 0 50 HDAA O=C(NCc1cccnc1)[C@H]1CCCN(C2CCN(S(=O)(=O)C3CC3)CC2)C1 82115151 SPHQMGCNUASYKG-KRWDZBQOSA-N 406.552 1.366 0 50 HDAA CCc1nc(-c2c3n(c(=O)n(Cc4ccc(C(=O)OC)cc4)c2=O)CCCC3)no1 169763871 GJPZCPAQIBBESP-UHFFFAOYSA-N 410.430 1.794 0 50 HDAA CC(C)C1(O)CN(C(=O)CN(C)S(=O)(=O)c2ccc(Br)cc2)C1 170607772 ZXXVALGCQZFBAT-UHFFFAOYSA-N 405.314 1.299 0 50 HDAA CCNC(=O)CNC(=O)NC[C@H](c1c(F)cccc1Cl)N1CCO[C@@H](C)C1 229749865 ZPBJFKYBTDCBGU-SWLSCSKDSA-N 400.882 1.676 0 50 HDAA O=C([C@H](Cc1ccccc1)N1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C1=O)N1CCOCC1 239159520 MGLINBZIRDXIBI-MTUNSFAGSA-N 406.482 1.510 0 50 HDAA CN1CCN2c3ccccc3C[C@]3(C(=O)NC(=O)N(CCc4ccccc4)C3=O)[C@H]2C1 245328134 RZBBJXPUMQNBCQ-HYBUGGRVSA-N 418.497 1.671 0 50 HDAA CCOC(=O)c1cnc(SCC(=O)NC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)nc1N 252457323 YVNMILVMRNDDDJ-NQBHXWOUSA-N 409.512 1.978 0 50 HDAA COc1cc2c(cc1OC)CC(=O)N(CC(=O)N[C@@H](CO)Cc1ccccc1)C=C2 252549751 RUGMKWGWILZBPW-LJQANCHMSA-N 410.470 1.779 0 50 HDAA C[C@@H]1C[C@@H](C(=O)NC[C@@H]2Cc3cc(Cl)cc(-c4ncccn4)c3O2)NC(=S)N1 299756624 GCWJDNUAZCGYNP-DGFSRKRXSA-N 417.922 1.842 0 50 HDAA COC[C@H]1CCCN(S(=O)(=O)N2CCC(c3nnc4n3CCCCC4)CC2)C1 1506418222 ORSXJVHAKQEUAC-INIZCTEOSA-N 411.572 1.787 0 50 HDAA CN(C)c1ncc2c(n1)[C@@]1(CCCN(S(=O)(=O)c3ccc(C(=O)O)cc3)C1)CC2 1704312596 VRGJMSHLEFJSIX-FQEVSTJZSA-N 416.503 1.910 0 50 HDAA Cc1c(C(=O)N[C@]2(C)CCOC3(CCN(c4ccncc4F)CC3)[C@H]2O)cnn1C 1772709907 KIHWYOWMOPLPFO-VQTJNVASSA-N 417.485 1.572 0 50 HDAA COc1ccccc1Cc1nc(C[C@@H]2C(=O)N(C)C(=O)N2C)n(-c2cnn(C)c2)n1 1772819354 KCGJEIBSLGGCRU-OAHLLOKOSA-N 409.450 1.035 0 50 HDAA CC(=O)N1CSC[C@@H]1C(=O)N[C@@H](CNC(=O)c1nc2cnccc2s1)C(C)C 1875346093 SHSOWXGJOVCABC-GXTWGEPZSA-N 421.548 1.483 0 50 HDAA O=C(c1ccc(CO)cc1)N1CCC2(CCc3c(O)nc(N4CCOCC4)nc32)CC1 1940194743 LRTPQKUFJLLSCY-UHFFFAOYSA-N 424.501 1.631 0 50 HDAA CN(C)C(=O)CN1C(=O)[C@@]2(CCN(Cc3cccc4ccnn34)C2)c2ccccc21 2100548134 VKKIXQOJVMUIEH-HSZRJFAPSA-N 403.486 1.913 0 50 HDAA C[C@@H]1C[C@H](NC(=O)[C@H]2CN3CCC[C@H]3CO2)CN1C(=O)c1ccc(-c2ccccn2)o1 2325828541 KDAVEOCFOBYVLT-MXTNKPTQSA-N 424.501 1.924 0 50 HDAA C=CC(=O)N1CCC[C@H](C(=O)N2CCO[C@@H](c3ccc(S(C)(=O)=O)cc3)C2)C1 2325889450 RCFSOBUSEVVOIR-FUHWJXTLSA-N 406.504 1.415 0 50 HDAA Cc1cc2[nH]cc(C(=O)N3CCC[C@@]4(CCc5cnc(N(C)C)nc54)C3)c(=O)n2n1 2356156754 OZUXIOSWHQRNAY-OAQYLSRUSA-N 407.478 1.307 0 50 HDAA CN(C)c1ccc(-c2ccnc(N3CCC(N4CCN(CCO)CC4)CC3)n2)cc1 2356164785 GUTAMEYRIHEPQW-UHFFFAOYSA-N 410.566 1.788 0 50 HDAA CCOC(=O)Cc1nnc(NC(=O)CSc2nnnn2-c2ccccc2)s1 2784651 YMXFXDCABULPJO-UHFFFAOYSA-N 405.465 1.350 0 50 HDAA CCOC(=O)N1CCN(C(=O)[C@@H](C)N(c2ccc(Cl)cc2)S(C)(=O)=O)CC1 2873582 FQGJDYAVPWIOOW-CYBMUJFWSA-N 417.915 1.795 0 50 HDAA O=C1CCCCN1c1ccc(S(=O)(=O)N2CCN(c3ncccn3)CC2)cc1 12002330 TZLUPSIAVBRTQH-UHFFFAOYSA-N 401.492 1.504 0 50 HDAA CCN(CCO)C(=O)C[C@@]1(c2ccc(OC)cc2)CC(=O)N(CCC(C)C)C1=O 12099317 QJBUNTFSEVBIBD-QFIPXVFZSA-N 404.507 1.969 0 50 HDAA COc1ccc(CN2CCC[C@H](n3cc(C(=O)NCCCO)nn3)C2)c(C)c1C 15070775 ZCHOCPANCFSHGK-SFHVURJKSA-N 401.511 1.853 0 50 HDAA COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NCCN2CCOCC2)cc1 33927499 GIVDWJINIHMQAM-HEHNFIMWSA-N 409.486 1.915 0 50 HDAA Cn1c(=O)c2c(nc(NCCCO)n2Cc2cccc(Br)c2)n(C)c1=O 49542475 TUBUWVNCMBMSJE-UHFFFAOYSA-N 422.283 1.039 0 50 HDAA biogenic COC[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)CN(S(=O)(=O)C1CC1)CC2 77440256 RQCZIOJYTFZKFD-INIZCTEOSA-N 414.549 1.336 0 50 HDAA Cc1ncc(CC(=O)N2CCC3(CCC(=O)N(C[C@@H]4CCCO4)C3)CC2)c(=O)[nH]1 91468474 KHPLPCHLJNKJEO-KRWDZBQOSA-N 402.495 1.031 0 50 HDAA O=C(Nc1ccc2c(c1)OCO2)[C@H]1[C@@H]2C(=O)N(Cc3ccncc3)C[C@@]23C=C[C@H]1O3 227293851 ZCORURRASHVZOH-KIQACKJLSA-N 405.410 1.731 0 50 HDAA CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N[C@H](Cn2cncn2)c2ccccc2)C1 257364984 GUJCEFSYTTWVRQ-IAGOWNOFSA-N 407.496 1.129 0 50 HDAA CN(C[C@@H]1COCCO1)C(=O)Cn1nc(Cc2ccccc2)c2ccccc2c1=O 426428280 RQWMTOJQUJINQY-GOSISDBHSA-N 407.470 1.861 0 50 HDAA COc1ccccc1-n1cc(CNC(=O)[C@@H]2CC(=O)N(Cc3ccccn3)C2)cn1 670441088 QBDDWYQJMDYDSB-QGZVFWFLSA-N 405.458 1.941 0 50 HDAA C[C@@H](CN1CCN(C)CC1)NC(=O)Nc1ccc(N2CCNC(=O)C2)c(Cl)c1 730134218 SPVRFESUYLMKHY-AWEZNQCLSA-N 408.934 1.034 0 50 HDAA O=S(=O)(c1ccc(-c2cc(C(F)(F)F)n[nH]2)o1)N1C[C@H](O)[C@@H](N2CCCC2)C1 1506403187 SFADZMAAIBVIBL-RYUDHWBXSA-N 420.413 1.518 0 50 HDAA CCC(=O)N[C@]1(C)CCOC2(CCN(Cc3cc(=O)n4ccsc4n3)CC2)[C@H]1O 1772704041 RKJLONNOQDLDKG-PKOBYXMFSA-N 420.535 1.157 0 50 HDAA O=C(NCC[C@H]1COCCN1C(=O)CCc1n[nH]c2c1CCCC2)C1CCOCC1 1857674013 XHHCPXUOMAGTPN-KRWDZBQOSA-N 418.538 1.381 0 50 HDAA CN(C)C(=O)c1ccc2c(c1)N(C)[C@@H](CC(=O)NCc1cccc3ncnn13)CO2 2356140820 QJEPZNXMPPPQTB-INIZCTEOSA-N 408.462 1.335 0 50 HDAA O=c1cc(CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)nc2sccn12 13319989 WWUNUXSPVKXREG-UHFFFAOYSA-N 424.935 1.916 0 50 HDAA Cc1cc(C(=O)N2CCC[C@@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)n[nH]1 22851510 UHPAMQOWSPONMB-GOSISDBHSA-N 411.506 1.869 0 50 HDAA Cc1ccc(C)c(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N(C)Cc3ncc[nH]3)[C@@H]4C2=O)c1 77523542 CHVHSKCYJXRSQV-CLWLKPMESA-N 406.486 1.967 0 50 HDAA Cc1cc(C)n(C2CN(Cc3cccc(OC[C@@H](O)CN4CCOCC4)c3)C2)n1 95508013 SKPGIKLNUCRIHC-NRFANRHFSA-N 400.523 1.629 0 50 HDAA O=C1N[C@H](CCC(=O)N2CCN(C(=O)c3ccco3)CC2)C(=O)Nc2ccccc21 109850365 AYDURVCDHKYQIN-MRXNPFEDSA-N 410.430 1.095 0 50 HDAA O=C(NC1CCCC1)c1ccc(CN2C(=O)NC3(CCS(=O)(=O)CC3)C2=O)cc1 169772501 WQJRJHXTQRXCFL-UHFFFAOYSA-N 419.503 1.358 0 50 HDAA CCOC(=O)c1c[nH]c(=O)c([C@@H](CC(=O)O)c2cc(OC)c(OC)cc2OC)c1O 217735671 ROCLNEOFGZEHOC-NSHDSACASA-N 421.402 1.890 0 50 HDAA biogenic CN(CC(=O)N[C@H]1CCCN(c2ccccc2Cl)C1=O)[C@H]1CCS(=O)(=O)C1 253371040 ZUOMHZBCXZEQOO-ZFWWWQNUSA-N 413.927 1.071 0 50 HDAA O=C1N[C@@H]2[C@H](CCCCC(=O)N3CCc4ccccc4[C@@H]3C(=O)O)SC[C@@H]2N1 486016974 OBQSYBNMDABKCU-UOVPBQLFSA-N 403.504 1.923 0 50 HDAA O=C1OC[C@@H]2CN(S(=O)(=O)c3ccc(-c4cc(C(F)(F)F)n[nH]4)o3)CCN12 1506425680 CGGBXAOPSGHLFL-QMMMGPOBSA-N 406.342 1.514 0 50 HDAA Cc1[nH]nc(-c2ccc(S(=O)(=O)N3CC[C@@]4(C(=O)O)CCCN(C)[C@@H]4C3)o2)c1C 1704338238 OMDCUYKCUVSQGS-BEFAXECRSA-N 422.507 1.846 0 50 HDAA CSc1ccccc1C(=O)N1C[C@@H]2CN(C(=O)c3cccc(N)n3)C[C@]2(CO)C1 1772703274 ZYAMIXNGPUGWLB-SZNDQCEHSA-N 412.515 1.592 0 50 HDAA Cc1cc(C(=O)N2CCC3(CCc4c(O)nc(N5CCOCC5)nc43)CC2)n(C)n1 1857721522 TXJGSGFXHZIXOJ-UHFFFAOYSA-N 412.494 1.181 0 50 HDAA O=C(O)CN1CCN(C(=O)[C@@H](Cc2cn(Cc3cccs3)nn2)C2CC2)CC1 1875326544 KWZRNNOZOKZNOJ-KRWDZBQOSA-N 403.508 1.185 0 50 HDAA CC(=O)N1CC[C@](C)(C(=O)NCc2ccc(CN(C)C(=O)c3ccnc(O)c3)cc2)C1 1875360147 ZVXPYJIXTGELPD-QHCPKHFHSA-N 424.501 1.934 0 50 HDAA O=C(CCn1cnnn1)N1C[C@@H]2C[C@H](C1)[C@@H]1CCCC(=O)N1[C@H]2Cc1ccccc1 2356154861 NFKXDSWUGVQXKP-FYQPLNBISA-N 408.506 1.534 0 50 HDAA COC[C@@H]1CCCN1S(=O)(=O)N1CCC2(CC1)OCCc1cccc(OC)c12 2356159711 NQRVFSLTBCZCRE-KRWDZBQOSA-N 410.536 1.915 0 50 HDAA Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CCN(c3ccccn3)CC2)cc1 6742711 JRMLCUCDPFCTGF-IBGZPJMESA-N 414.531 1.892 0 50 HDAA O=C(COc1ccccc1)NCCc1nnc2n1CCN(Cc1ccccn1)CC2 12211577 IDJMOAOZXNYRKJ-UHFFFAOYSA-N 406.490 1.469 0 50 HDAA COc1ccc(F)c(CN2CCC[C@@]3(CCN(C(=O)CN4CC(=O)NC4=O)C3)C2)c1 12584647 WCUOVXUJNQGLFH-OAQYLSRUSA-N 418.469 1.201 0 50 HDAA C[C@@H](OCc1ccccc1)[C@@H]1NC(=O)[C@H]2CN(Cc3cccc(F)c3)CCN2C1=O 14732194 XVIUTRXXQQLFLX-HBGVWJBISA-N 411.477 1.942 0 50 HDAA CCOc1ccc(Br)cc1S(=O)(=O)NCCCN1CCOCC1 19619442 DJRGHJYLMLVDQX-UHFFFAOYSA-N 407.330 1.848 0 50 HDAA COC(=O)CNC(=O)c1sc2ncnc(NCCCN3CCOCC3)c2c1C 19836350 MQPFZIXIGSLMLO-UHFFFAOYSA-N 407.496 1.037 0 50 HDAA CC(C)N1CCC(N2CCN(Cc3cccc(OCCO)c3)C[C@@H]2CCO)CC1 20999750 CUZDEKPCWNCESG-QFIPXVFZSA-N 405.583 1.799 0 50 HDAA CCc1cnc(C)nc1N1CCC(N2CCC[C@H](C(=O)N3CCOCC3)C2)CC1 71745664 XFMIVMBRYRDMFR-IBGZPJMESA-N 401.555 1.887 0 50 HDAA CCCCN1CCN([C@@H](C(=O)NCc2cn(C)nc2C)c2ccccc2)C(=O)C1=O 77427354 KGOKOTHVBUGHSW-LJQANCHMSA-N 411.506 1.557 0 50 HDAA COCC(=O)N1CC[C@]2(O)CCN(Cc3[nH]c4ccc(OC)cc4c3C)C[C@@H]2C1 95390058 KTOCZKDIDFIZAO-OPAMFIHVSA-N 401.507 1.917 0 50 HDAA CC[C@H](CO)N1CCN(S(=O)(=O)c2cccc(C(=O)Nc3nccs3)c2)CC1 408525271 SYXFKKVFVVGOTK-OAHLLOKOSA-N 424.548 1.473 0 50 HDAA Cc1ccc(S(=O)(=O)NCCCNC(=O)[C@H]2CCCN(C3CCOCC3)C2)cc1 670433752 NTGWFRCWSKGJFL-SFHVURJKSA-N 423.579 1.671 0 50 HDAA Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(-c4cccn4C)[nH]n3)CC2)cc1 825176879 OGPVWTLFWLPAJX-UHFFFAOYSA-N 413.503 1.870 0 50 HDAA O=C(Cn1ccccc1=O)N1CCC[C@@]2(CCc3c(O)nc(-c4cccnc4)nc32)C1 1857671334 FVBAKYXJBRNIMP-HSZRJFAPSA-N 417.469 1.913 0 50 HDAA CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)c1cccc2c3c([nH]c12)CCCC3 1875246554 REKJOYXYQKIKFT-SCLBCKFNSA-N 405.520 1.683 0 50 HDAA Cn1cc(C(=O)N[C@@]23CC[C@@H](C[C@@H]2n2cc(-c4ccc(C(=O)O)cn4)nn2)C3)cn1 1875324616 FWWPJHGTSHNCRB-CYFODOTGSA-N 407.434 1.686 0 50 HDAA NC(=O)[C@@H]1CC[C@H](C(=O)N2CC[C@@H]3CN(C(=O)CCn4ccc5ccccc54)[C@@H]3C2)O1 1875330330 OAMJDVAZCRIEMB-RSPOEFSDSA-N 424.501 1.124 0 50 HDAA O=C(c1nc(=NCc2ccco2)[nH]cc1Br)N1CCC[C@H]1c1nn[nH]n1 1875340130 NETXNXIITXDXBK-NSHDSACASA-N 419.243 1.357 0 50 HDAA C=CC(=O)NCc1nc2c(s1)CCN(C(=O)[C@H]1CC(=O)N([C@H](C)CCC)C1)C2 1875386422 PUOJKDQKHHIQHK-KGLIPLIRSA-N 404.536 1.867 0 50 HDAA O=C(Cc1coc(C(F)F)n1)NC[C@@H](NC(=O)[C@]1(O)CCOC1)c1ccccc1 2325861528 SOBUKPDYKGXCEL-KUHUBIRLSA-N 409.389 1.280 0 50 HDAA CCN(CC)c1nc2c(c(=O)n(C)c(=O)n2C)n1C[C@H](O)COc1ccccc1C 625682 FXUGEQWQIDFYGB-HNNXBMFYSA-N 415.494 1.028 0 50 HDAA COc1ccc(N(CC(=O)N2CCOCC2)S(=O)(=O)c2ccccc2)cc1OC 654165 GQJHLDBGMCUJQQ-UHFFFAOYSA-N 420.487 1.758 0 50 HDAA CCn1ccc([C@H](C)NC(=O)[C@H]2CCCN(S(=O)(=O)c3cn(CC)nc3C)C2)n1 6637451 BJLCKRBLUMQSIL-HOCLYGCPSA-N 422.555 1.706 0 50 HDAA O=C1CC[C@H](C(=O)N2CCC(N3CCSCC3)CC2)CN1CCc1ccccn1 12320038 NHSWPGVLVFNPQD-SFHVURJKSA-N 416.591 1.903 0 50 HDAA O=C(Nc1ccc(S(=O)(=O)NCCN2CCOCC2)cc1F)c1ccccc1 16552367 LKOFQSCMVQASAV-UHFFFAOYSA-N 407.467 1.689 0 50 HDAA CC(C)CCN1CCNC(=O)[C@H]1CC(=O)N(C)CCN1CCc2ccccc2C1 20449546 HPHFHFZZKZOTAB-OAQYLSRUSA-N 400.567 1.740 0 50 HDAA Cn1c(CCC(=O)N[C@@H]2CCOC2)nc2cc(S(=O)(=O)N3CCCC3)ccc21 77453158 FPMWOVCMGYUMMF-CQSZACIVSA-N 406.508 1.196 0 50 HDAA Cn1nccc1C(=O)N1CCC(N2CCC[C@H](C(=O)NCc3ccccn3)C2)CC1 82127469 IGPNENHWBRVIEJ-KRWDZBQOSA-N 410.522 1.448 0 50 HDAA O=C(CC[C@H]1N=C(O)N(Cc2ccccc2)C1=O)NCCc1nnc2ccccn12 252539880 OPUPKLNFHPUILQ-MRXNPFEDSA-N 406.446 1.493 0 50 HDAA COC(=O)c1cn(-c2ccc(S(=O)(=O)C3CCCCC3)nc2)cc2c(=O)[nH]nc1-2 253412668 RRLVDAYFCJIWHO-UHFFFAOYSA-N 416.459 1.953 0 50 HDAA COc1ccc2[nH]cc(CCNC(=O)C[C@H]3NC(=O)N(Cc4ccco4)C3=O)c2c1 409413169 CAUSPMAGWCTCDH-GOSISDBHSA-N 410.430 1.939 0 50 HDAA Cc1nn(-c2ccc(F)cc2)c(C)c1CNS(=O)(=O)[C@H]1CCS(=O)(=O)C1 670435463 MABJNGGFLKUGOR-HNNXBMFYSA-N 401.485 1.235 0 50 HDAA Cc1nc(CN2C[C@H]3[C@H](NC(=O)Cc4cccnc4)CS(=O)(=O)[C@H]3C2)sc1C 1857694039 XSDKZAHDBZSCNX-BBWFWOEESA-N 420.560 1.111 0 50 HDAA CCc1nnc(N2C[C@H](C(=O)NCCNC(=O)c3ccccc3Cl)CC2=O)s1 1857738958 GJQRZIXQXRRSKD-LLVKDONJSA-N 421.910 1.653 0 50 HDAA Cn1cc([C@H]2[C@H](CN3CCCCC3)OCCN2C(=O)CCN2CCCC2=O)cn1 1857739674 NSAKIJVUDBCRNJ-RXVVDRJESA-N 403.527 1.187 0 50 HDAA Cc1cc(NC(=O)N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)c(=O)n(C)c1 1875262844 VOFXAOWTGRGXAV-GOSISDBHSA-N 412.446 1.210 0 50 HDAA Cc1nn(Cc2ccc3c(c2)oc(=O)n3C)c(C)c1S(=O)(=O)N1CCOCC1 1875346008 PQYJNYDPYJTBSB-UHFFFAOYSA-N 406.464 1.014 0 50 HDAA CC1(C)CCCN(C(=O)c2ccn(C(C)(C)C)n2)[C@H]1CNC(=O)CSCC(N)=O 1875347326 LALUPDQABCTZFZ-HNNXBMFYSA-N 423.583 1.604 0 50 HDAA COC[C@@H]1CC[C@H](C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)c2cccc3c2NC(=O)CO3)C1 2325873003 VAWIWFOZQIRDNZ-DGHFKXIXSA-N 413.474 1.409 0 50 HDAA CCN(CC)CCN1C(=O)[C@]2(SC(NC(C)=O)=NN2C(C)=O)c2cc(C)ccc21 2434102 AWIQZFLTRWEGHB-HXUWFJFHSA-N 417.535 1.839 0 50 HDAA CCn1cc(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@@H](C)c3ccnn3CC)C2)c(C)n1 6490249 QJBRBYIGPSJAMX-GOEBONIOSA-N 422.555 1.706 0 50 HDAA Cc1ccc2[nH]c(C(=O)N3CCc4nnc(CNC(=O)[C@@H]5CCOC5)n4CC3)cc2c1 11974832 PSSCSKGVQOMOSJ-OAHLLOKOSA-N 422.489 1.419 0 50 HDAA O=C1N[C@@H](Cc2ccc(O)cc2)C(=O)N2C[C@@H](NCc3cc(F)ccc3F)C[C@@H]12 14742008 FNXUCQAZLXRIQR-SNRMKQJTSA-N 401.413 1.471 0 50 HDAA O=C1[C@@H]2CSCN2C(=O)[C@H]2CN(Cc3ccc(CN4CCCCC4)s3)CCN12 14750329 YNRBPCMJEJQJIC-MSOLQXFVSA-N 420.604 1.662 0 50 HDAA O=C1N[C@H](Cc2ccc(O)cc2)C(=O)N2CCN(C(=O)c3ccc(Cl)cc3)C[C@H]12 14751831 BKHAFAJERKIYKQ-QZTJIDSGSA-N 413.861 1.440 0 50 HDAA COc1cc(=O)n2c(c1C(=O)NCCCn1cccn1)CCN(CC(C)C)CC2 14968840 KYIBBFKMCWKQIZ-UHFFFAOYSA-N 401.511 1.388 0 50 HDAA COCc1nn2c(ncc3c(=O)n(N4CCN(C)CC4)ccc32)c1-c1ccccc1 40396438 MPHWKVLCKYZYKU-UHFFFAOYSA-N 404.474 1.741 0 50 HDAA COc1ccc(CNC(=O)C[C@@H]2C(=O)NCCN2Cc2cccc(F)c2F)cc1 55371395 ZOVORBOYMRTPBL-GOSISDBHSA-N 403.429 1.980 0 50 HDAA Cc1ccn2cc(C(=O)N3CCCn4nc(C(=O)N5CCOCC5)cc4C3)nc2c1 65371114 SUJABHVJARNYFJ-UHFFFAOYSA-N 408.462 1.358 0 50 HDAA CNc1nc(C)cc(N2CCC(N3CCC[C@H](C(=O)N4CCOCC4)C3)CC2)n1 71639508 XOKYTBSGDAVLGP-KRWDZBQOSA-N 402.543 1.366 0 50 HDAA NC(=O)[C@H]1CCCN1Cc1ccc(C(=O)NCc2cnc3ccccc3c2)c(=O)[nH]1 77439766 RIYKAQFGRBXBPD-LJQANCHMSA-N 405.458 1.303 0 50 HDAA CNC(=O)CN(C)C(=O)[C@@H]1CCCN(C2CCN(C3Cc4ccccc4C3)CC2)C1 91829575 KPLVAKFLOSURBN-HXUWFJFHSA-N 412.578 1.535 0 50 HDAA O=C1NC[C@@H]2[C@@H]1CCCN2C(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1 170608576 UKVBTWMVHVBUMD-ZWKOTPCHSA-N 405.520 1.602 0 50 HDAA Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)N3CCC4(C3)OCCO4)CC2)c(C)c1 170621463 BGQPYZQOISOSPX-UHFFFAOYSA-N 422.547 1.988 0 50 HDAA COCCN1C(=O)C[C@@H](CN[C@H](C)C(C)(C)n2cncn2)[C@@H]1c1cnn(C)c1C 225412645 VXDWWOMKOQHURZ-JTDSTZFVSA-N 403.531 1.269 0 50 HDAA COc1ccc(-c2cc(C(=O)N[C@H](CO)C(C)C)nn2[C@@H]2CCS(=O)(=O)C2)cc1 252509972 YZJAGNYACVKQQR-CRAIPNDOSA-N 421.519 1.665 0 50 HDAA O=C(C[C@H]1NC(=O)c2ccccc2NC1=O)Nc1ccc(CN2CCOCC2)cc1 253406490 IZMFGQWHTJOWIA-LJQANCHMSA-N 408.458 1.598 0 50 HDAA biogenic COCCN1C(=O)C[C@](CC(=O)N2CCC[C@H]2C(=O)OC)(c2ccccc2F)C1=O 299770036 LAFBPYCNFCFWSJ-HRAATJIYSA-N 420.437 1.023 0 50 HDAA O=C(CCc1nc2ccccc2s1)N1C[C@H]2CN(Cc3cnc[nH]3)C[C@@]2(CO)C1 1772810601 NFYJJKSXWSYHBO-VFNWGFHPSA-N 411.531 1.905 0 50 HDAA CCOCCC(=O)N1CCC[C@]2(CCc3c2nc(C(C)(C)C)[nH]c3=NCCO)C1 1875245329 VLPYGCMUSRUIHR-QFIPXVFZSA-N 404.555 1.833 0 50 HDAA CC(C)c1noc(C[C@@]2(O)CCCN(S(=O)(=O)Cc3ccc4nonc4c3)C2)n1 1875345541 AUVVRBNYCLQFTO-SFHVURJKSA-N 421.479 1.629 0 50 HDAA COc1ccc(S(=O)(=O)Nc2nc(CC(=O)N3Cc4c[nH]nc4C3)cs2)cc1 1875404298 DCFCUYQPUGSJIE-UHFFFAOYSA-N 419.488 1.761 0 50 HDAA Cc1nnc2n1CCC[C@H]2NC(=O)C(=O)Nc1cc(C(C)C)nn1-c1ncccn1 2325738366 UVLLSJKQMJGLJR-CYBMUJFWSA-N 409.454 1.275 0 50 HDAA O=C1CC[C@H](N2Cc3ccc(CNC(=O)Nc4cccc(F)c4)cc3C2=O)C(=O)N1 2325887002 PZXXKFTVWDIVNN-KRWDZBQOSA-N 410.405 1.908 0 50 HDAA Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ccccc1C(=O)O 4492453 MADRASOTIWMGDQ-UHFFFAOYSA-N 404.444 1.966 0 50 HDAA CNC(=O)c1cn(CCC(C)C)cc(C(=O)N2CCN(c3ccccc3)C(=O)C2)c1=O 12217236 OAXSZTRMKKPMCP-UHFFFAOYSA-N 424.501 1.743 0 50 HDAA CC(C)[C@H]1NC(=O)[C@H]2CN(S(=O)(=O)c3ccc4ccccc4c3)CCN2C1=O 14744535 WDWYCESJGPHXRK-QZTJIDSGSA-N 401.488 1.196 0 50 HDAA CC(C)(C)c1ccc(S(=O)(=O)N2CCN(C(=O)CSCC(=O)O)CC2)cc1 17090052 ADZYOLVRVGTJBN-UHFFFAOYSA-N 414.549 1.635 0 50 HDAA COc1cccc(N([C@H](C)C(=O)N2CC(=O)Nc3ccccc32)S(C)(=O)=O)c1 67613249 TYTCZERYUXZECK-CYBMUJFWSA-N 403.460 1.835 0 50 HDAA CN(c1ccccc1F)S(=O)(=O)c1cccc(C(=O)N2CCC(C(N)=O)CC2)c1 72140591 QICSLPDEVPBEAS-UHFFFAOYSA-N 419.478 1.988 0 50 HDAA COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)NCc1cccnc1 72437899 AFBPJNOWYPXRRQ-UHFFFAOYSA-N 419.503 1.360 0 50 HDAA C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(CC(=O)N[C@H](C)c3ccccc3)CC2)C1 229702597 URYVEDDDGNCTHE-VAMGGRTRSA-N 400.567 1.986 0 50 HDAA O=S(=O)(NC[C@@H](c1ccccn1)N1CCOCC1)N1CCc2ccccc2C1 670441074 WBSHNWSDJICWSV-FQEVSTJZSA-N 402.520 1.348 0 50 HDAA O=C(NCC1CCN(C(=O)c2c[nH]c3ccc(F)cc3c2=O)CC1)[C@H]1CCOC1 952964020 KRNVPPCPWUGPCE-AWEZNQCLSA-N 401.438 1.672 0 50 HDAA C[C@H]1[C@@H](NC(=O)C(=O)Nc2cccc(C(=O)NCc3ccccn3)c2)CCCN1C 1875259165 ZMKKJDRVTSYZDX-KXBFYZLASA-N 409.490 1.549 0 50 HDAA C[C@@]1(CNC(=O)c2cc3ncccn3n2)CCCN(C(=O)[C@@H]2CCc3nn[nH]c3C2)C1 1875361507 UAJOVWQHUIKPQM-SZNDQCEHSA-N 422.493 1.011 0 50 HDAA O=C1CO[C@H](C(=O)N2CCN(c3ccncc3)CC2)[C@@H](c2ccccc2Cl)N1 1940197882 ZFTCKXWNDZRQJB-MOPGFXCFSA-N 400.866 1.640 0 50 HDAA COc1ccc(Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1Cl 808251 JLTONPRENNPEAR-UHFFFAOYSA-N 406.874 1.950 0 50 HDAA COC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@@H](C)NC(=O)OCc1ccccc1 1640106 YJQURCNBCROTGE-RDTXWAMCSA-N 400.431 1.907 0 50 HDAA Cc1nn(C)c(Cl)c1S(=O)(=O)N1CCC[C@@H](CNC(=O)c2cccnc2)C1 12386385 IGCQSDZRANDLKS-ZDUSSCGKSA-N 411.915 1.608 0 50 HDAA COc1ccc(C[C@@H]2NC(=O)[C@@H]3C[C@H](NC(=O)c4ccccc4OC)CN3C2=O)cc1 14741781 GYAGFPUWKXMNOY-SNRMKQJTSA-N 423.469 1.144 0 50 HDAA Cn1cc(CN2CCN(Cc3nccn3C)CC2)c(-c2ccc3c(c2)OCCO3)n1 19744409 GXDFSOCAIJGCHE-UHFFFAOYSA-N 408.506 1.910 0 50 HDAA CCCCN1C[C@@H](C(=O)Nc2ccc(C(=O)NCCN3CCOCC3)cc2)CC1=O 20028310 VYWAAIGBPSJDBA-SFHVURJKSA-N 416.522 1.336 0 50 HDAA O=C(CN1C(=O)N[C@@](Cc2ccccc2Cl)(C2CCNCC2)C1=O)NC1CC1 67757035 FDPDWCRSQAFNPF-FQEVSTJZSA-N 404.898 1.451 0 50 HDAA Cc1cn(CC(=O)N[C@@H]2CCCCN(Cc3ccccc3Cl)C2)c(=O)[nH]c1=O 82097859 KUDHMCBDUDUPKL-MRXNPFEDSA-N 404.898 1.669 0 50 HDAA Cn1cncc1CN1CCC(N2C[C@H](COc3ccc(F)cc3)OCC2=O)CC1 426444928 LDCGIJDRDMTQQY-HXUWFJFHSA-N 402.470 1.830 0 50 HDAA COc1ccc([C@@H](CC(=O)NCCNC(C)=O)c2c(O)n3ccccc3nc2=O)cc1 1776111597 YVSBSTWDBHOLES-QGZVFWFLSA-N 424.457 1.183 0 50 HDAA Cc1ccc(-c2cn(-c3cccc4c3CN([C@@H]3CCC(=O)NC3=O)C4=O)nn2)nc1 1875356830 UNLIKASBJHTOIC-GOSISDBHSA-N 402.414 1.399 0 50 HDAA C=CC(=O)NCC(=O)N(CCN1CCOCC1)Cc1sccc1Br 1875372121 XEAVKHSQVBLCGW-UHFFFAOYSA-N 416.341 1.474 0 50 HDAA Cc1cc(C)n(CCNC(=O)[C@H]2CC[C@@H](NC(=O)c3cccc(O)c3)[C@H](O)C2)n1 2100482707 SBMUKLOOAYQOMG-QXAKKESOSA-N 400.479 1.281 0 50 HDAA C[C@H](c1ccccc1)N1C[C@@H](C(=O)NS(=O)(=O)c2ncn(C)c2Cl)CC1=O 2325819601 KJXIRNBZMXBBJB-YPMHNXCESA-N 410.883 1.488 0 50 HDAA C[S@@](=O)(CCO)=NC(=O)CSCc1nc(O)c2c3c(sc2n1)CCC3 2325874719 YOANWWAWIFBSPM-RUZDIDTESA-N 401.535 1.736 0 50 HDAA Cn1[nH]c(=NC(=O)c2ccc3c(c2)CN([C@@H]2CCC(=O)NC2=O)C3=O)c2ccccc21 2325895944 NBOROOKTKZMXEF-QGZVFWFLSA-N 417.425 1.009 0 50 HDAA COc1ccc([C@@H]2[C@@H](C(=O)N3CCC4(CCO4)CC3)OCC(=O)N2C2CC2)cc1 2356145380 NHRWXVALRNLRPM-UXHICEINSA-N 400.475 1.908 0 50 HDAA CCc1cccc(C)c1NC(=O)CSc1nc2c(c(=O)n(C)c(=O)n2C)n1C 708411 TVDHPDRKIFQJBK-UHFFFAOYSA-N 401.492 1.572 0 50 HDAA biogenic Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccc3c(c1)OCO3)[C@H]1C(=O)c3ccccc3C1=N2 1460890 ANBFDVKHKKQALL-IAGOWNOFSA-N 415.405 1.892 0 50 HDAA Cc1ccc(C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1S(=O)(=O)N1CCCCC1 4196241 IKEIQXXOQHLRNC-OAHLLOKOSA-N 400.522 1.087 0 50 HDAA COc1cc2[nH]c(=S)n(Cc3ccc(S(N)(=O)=O)cc3)c(=O)c2cc1OC 9348033 APRGRGJVRLNNAU-UHFFFAOYSA-N 407.473 1.772 0 50 HDAA CCN(CC)Cc1cc(CN2CC[C@@H](N3CCC(O)CC3)[C@H](O)C2)ccc1OC 19536102 MIQBHJJRQDLVFR-FGZHOGPDSA-N 405.583 1.929 0 50 HDAA COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NCC2(O)CCCCC2)c(OC)c1 19740772 NYVPVBPVFINWGB-SFHVURJKSA-N 419.522 1.206 0 50 HDAA COc1cc(CNCCn2nc(C)cc2C)ccc1OC[C@@H](O)CN1CCOCC1 20451249 TUOYMOWYFNNKSD-FQEVSTJZSA-N 418.538 1.370 0 50 HDAA O=S(=O)(c1ccc(F)cc1F)N1CCN(c2cc(-n3ccnc3)ncn2)CC1 67621429 OHVCERFAPUMNGN-UHFFFAOYSA-N 406.418 1.451 0 50 HDAA Cn1ccnc1C(=O)N1CCC(N2CCC[C@@H](C(=O)NCc3ccccn3)C2)CC1 82125481 QNVCIIUJSWWRTC-QGZVFWFLSA-N 410.522 1.448 0 50 HDAA O=C(O)[C@@H]1[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)[C@H]2C=C[C@H]1C2 101448118 YKQCFOGWAIAVLT-PYTWLRIVSA-N 408.451 1.182 0 50 HDAA CC(C)[C@@H](CO)NC(=O)CC[C@H]1N=C(O)N(CCc2c[nH]c3ccccc23)C1=O 252532894 FKVCFYQWTGZITK-QZTJIDSGSA-N 400.479 1.749 0 50 HDAA Cn1c(=O)c2sccc2n2c(CN3CCC[C@H]([C@H](O)C(F)(F)F)C3)nnc12 444731424 VGPBMAUEKOFNJP-ZANVPECISA-N 401.414 1.778 0 50 HDAA COc1ccc2nc(CNC(=O)CN(c3cccc(F)c3)S(C)(=O)=O)[nH]c2c1 670442327 QKLNCFLFEUPLAS-UHFFFAOYSA-N 406.439 1.793 0 50 HDAA Cn1nc(C(F)F)cc1C(=O)N[C@H]1C2CN3CCN(C2)CC1(c1ccccc1)C3 670453458 ONIIYPSTXOAUGB-UARVQCNDSA-N 401.461 1.655 0 50 HDAA O=C(NCc1sc2ccccc2c1Cl)c1cn(CCN2CCNCC2)nn1 670453931 OHZYZSYCXMJOBR-UHFFFAOYSA-N 404.927 1.981 0 50 HDAA O=C(Nc1ccc(Oc2nn[nH]n2)cc1)c1ccc(OCC(=O)N2CCOCC2)cc1 952975579 OCKDLIOUSNENKK-UHFFFAOYSA-N 424.417 1.482 0 50 HDAA Cc1cc(C)c2nonc2c1S(=O)(=O)N(Cc1cccnc1)C[C@@H]1CCC(=O)N1 952992184 YJSWVEJOBPDALS-HNNXBMFYSA-N 415.475 1.704 0 50 HDAA NC(=O)Cc1nc(CCCc2nc3ccccc3s2)n([C@H]2CCS(=O)(=O)C2)n1 1857676186 PKYGIIRKSVIBGL-LBPRGKRZSA-N 419.532 1.451 0 50 HDAA COCc1nnc(N2C[C@@H](C(=O)NCc3ccc(C(=O)OC)cc3)CC2=O)s1 1857698725 GDODJPROJJLEQH-ZDUSSCGKSA-N 404.448 1.140 0 50 HDAA Cc1nc(-c2cn(-c3ccc4c(c3)C(=O)N([C@H]3CCC(=O)NC3=O)C4)nn2)cs1 1875357033 YIVKBVMRHLMPDB-INIZCTEOSA-N 408.443 1.460 0 50 HDAA CC(=O)c1cncc(C(=O)N2CC[C@H](CCNC(=O)C3CCN(C(C)=O)CC3)C2)c1 1875361020 OSVAPIZRWVMYJZ-KRWDZBQOSA-N 414.506 1.511 0 50 HDAA Cc1cc(C(=O)N2CC[C@@]3(C2)C(=O)N(CCO)c2ccccc23)c2c(C)noc2n1 2100477183 MZERFIOLFWZWHV-QFIPXVFZSA-N 406.442 1.962 0 50 HDAA Cc1cn2cc(C(=O)N(C)[C@H](CNC(=O)C[C@@H]3CCC(=O)N3)C3CC3)sc2n1 2325823668 ACQWOSFFSDDYAE-UONOGXRCSA-N 403.508 1.340 0 50 HDAA CCc1noc(COCC(=O)N[C@H](C)C[C@H](C)NC(=O)C2(OC(C)C)CCC2)n1 2325828272 CIUCNOJYRGGCJH-CABCVRRESA-N 410.515 1.896 0 50 HDAA CS(=O)(=O)N1CCN(C(=O)c2ccc3nc(O)nc(O)c3c2)Cc2ccccc21 2325851025 NFMUYWOGSZVNCH-UHFFFAOYSA-N 414.443 1.463 0 50 HDAA CCN1C[C@H](C(=O)N2CCCC[C@H](NC(=O)[C@H]3CCC[C@@H](C(N)=O)C3)C2)CCC1=O 2325864173 IFRIELWOZPBBFE-XDNAFOTISA-N 420.554 1.034 0 50 HDAA CCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@@H](O)COc1ccc(CC)cc1 1816635 LQAMWOZUJYDUBD-CQSZACIVSA-N 418.519 1.928 0 50 HDAA C[C@H](NC(=O)[C@H](CO)NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 4763321 ICHQDJFVLNIGLT-YJBOKZPZSA-N 400.431 1.522 0 50 HDAA COc1cc(CN(C)Cc2nonc2C)ccc1OC[C@H](O)CN1CCSCC1 12051676 WUUUVBIZIHOSAT-QGZVFWFLSA-N 422.551 1.807 0 50 HDAA O=C(C[C@@H]1SC(=O)NC1=O)Nc1ccccc1NC(=O)C[C@H]1SC(=O)NC1=O 17750924 AMUIADUYFTXQBJ-AOOOYVTPSA-N 422.444 1.047 0 50 HDAA Cc1nnc(NS(=O)(=O)c2ccc3c(c2)CN(C(=O)c2ccon2)CC3)s1 77534910 WZBFUPPUGXRAHF-UHFFFAOYSA-N 405.461 1.834 0 50 HDAA COC(=O)c1ccc(CN2CCN(CCN3C(=O)[C@@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)CC2)cc1 102196893 BQEDZOGNIWVNPJ-UWHLTILDSA-N 423.513 1.398 0 50 HDAA COc1ccc(CCN2C(=O)N[C@H](CC(=O)NCc3nc4ccccc4[nH]3)C2=O)cc1 223219950 SEPGMXDOEXUTSW-GOSISDBHSA-N 421.457 1.741 0 50 HDAA COC(=O)c1cnc(O)c([C@@H](CC(N)=O)c2coc3ccc(OC)cc3c2=O)c1O 253623835 PLZXTYDSZATGFN-JTQLQIEISA-N 414.370 1.402 0 50 HDAA biogenic NC(=O)[C@@H]1CCCN(Cc2cccc(CNC(=O)Nc3cccc4c3CNC4=O)c2)C1 495470068 LNABTPDTTKUHFH-QGZVFWFLSA-N 421.501 1.949 0 50 HDAA Cc1nc2cc(CNC(=O)C3CCN([C@H]4CCS(=O)(=O)C4)CC3)ccc2n1C 827758270 GIQVHZKRZWXOOK-KRWDZBQOSA-N 404.536 1.397 0 50 HDAA COC[C@@H]1CCCN(S(=O)(=O)N2CCC(c3nnc4n3CCCCC4)CC2)C1 1506418228 ORSXJVHAKQEUAC-MRXNPFEDSA-N 411.572 1.787 0 50 HDAA CN(C)C[C@@]12CN(C(=O)C3CCCCC3)C[C@@H]1CN(c1cnc(C(=O)O)cn1)C2 1800410754 ZUNPTHWRNGJKEZ-HRAATJIYSA-N 401.511 1.582 0 50 HDAA O=C(c1cc(-n2cnnn2)n[nH]1)N1CCC(c2cc(Cc3ccccc3)[nH]n2)CC1 1857671452 SJNCLZUVTWHMKJ-UHFFFAOYSA-N 403.450 1.719 0 50 HDAA NS(=O)(=O)c1ccc(CNC(=O)c2cc3c(s2)C2(CCNCC2)OCC3)cc1 1857686219 MAPFGGSXDPISSC-UHFFFAOYSA-N 421.544 1.477 0 50 HDAA Cc1cc(NC(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)c(=O)n(C)c1 1875262845 VOFXAOWTGRGXAV-SFHVURJKSA-N 412.446 1.210 0 50 HDAA O=C([C@@H]1CCCN1C1CCCC1)N1CCC2(C1)CN(C(=O)[C@@H]1C[C@H]1c1cnc[nH]1)C2 1875325594 QDBYQCPGZCAAQU-GGPKGHCWSA-N 411.550 1.981 0 50 HDAA Cn1cc(C(=O)N2CCCC[C@H](Cn3cc(-c4ccc(C(=O)O)cn4)nn3)C2)cn1 1875326555 LGCCJWXPBWLQBC-AWEZNQCLSA-N 409.450 1.714 0 50 HDAA NC(=O)c1cccnc1N1CCN(C(=O)Nc2cccc(Cn3ccnc3)c2)CC1 2325733499 VXOMYZOBWSEDQQ-UHFFFAOYSA-N 405.462 1.779 0 50 HDAA COc1nn(C)cc1C(=O)N1CCC[C@@H]1CNC(=O)[C@H]1OCCc2ccc(C)cc21 2325829625 NZRPKTKKJVIDCH-APWZRJJASA-N 412.490 1.772 0 50 HDAA Cc1nn(CC(=O)N2CCC[C@@]3(CCc4c[nH]c(=N)nc43)C2)c(=O)c2ccccc12 2356160029 ZSFALJPQJVGFFG-JOCHJYFZSA-N 404.474 1.414 0 50 HDAA CCNS(=O)(=O)c1ccc(NC(=O)c2nc3nc(C)cc(C(F)F)n3n2)cc1 815314 BRTBCASCOCXHHL-UHFFFAOYSA-N 410.406 1.921 0 50 HDAA COc1cccc([C@@]2(CC(=O)N(C)CC(C)C)CC(=O)N(CCN(C)C)C2=O)c1 12037020 VJQLVCGRNCEDEG-JOCHJYFZSA-N 403.523 1.758 0 50 HDAA CCN1CCC[C@@H]1CNC(=O)CCC1CCN(C(=O)CCC2=NNC(=O)CC2)CC1 12304306 XCCCKENXULKAMZ-LJQANCHMSA-N 419.570 1.652 0 50 HDAA CCCCN1CCN([C@@H](C(=O)N(C)Cc2nccn2C)c2ccccc2)C(=O)C1=O 77408262 BNHFBZZPPSVPFY-LJQANCHMSA-N 411.506 1.591 0 50 HDAA CCOC(=O)N1CCC(NC(=O)Cn2c(C)cc3nc4n(c(=O)c32)CCCC4)CC1 169780218 GOKWMSZBSFGFLS-UHFFFAOYSA-N 415.494 1.580 0 50 HDAA COc1ccc(CCN2C(=O)N[C@H](CCC(=O)N[C@@H]3NC(C)=CS3)C2=O)cc1 206240461 VDKWCDPNDAWHLG-QAPCUYQASA-N 404.492 1.536 0 50 HDAA COC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2cc(O)cc(=O)o2)CC1 239367382 AIKYBEVXMDUXDE-KRWDZBQOSA-N 406.822 1.671 0 50 HDAA CN(C)c1nc(N)nc(CN2C[C@H]3CCC[C@@]3(c3nc(-c4ccccc4)no3)C2)n1 328604302 JHWAOIAIEUIWSH-QVKFZJNVSA-N 406.494 2.124 0 50 HDAA CC1(C)NC(=O)N(CCS(=O)(=O)Cc2coc(-c3ccc(F)c(F)c3)n2)C1=O 728688784 WGBWYAVLHGYOFY-UHFFFAOYSA-N 413.402 1.865 0 50 HDAA COc1cc2c(cc1OC)CN(C(=O)Cn1cnc3c(N(C)C)nc(N)nc31)CC2 824616750 YVTRCBARLTZNJR-UHFFFAOYSA-N 411.466 1.077 0 50 HDAA biogenic CCc1oc(C(=O)N2CCN(c3ncccc3C(N)=O)CC2)cc1CN1CCCC1 952965035 CPBHFOJNPPEITK-UHFFFAOYSA-N 411.506 1.894 0 50 HDAA Cn1c(CNc2ccc(C(=O)NCc3noc(C(N)=O)n3)cc2)nc2ccccc21 1506427635 LQSVNFOBAGZWEO-UHFFFAOYSA-N 405.418 1.597 0 50 HDAA CSc1ncc(CN2CC[C@H](N3CCN(c4ccccn4)CC3)[C@@H](O)C2)cn1 1615633111 ANOYTMOCOXZVEY-ROUUACIJSA-N 400.552 1.351 0 50 HDAA Cc1cc(C(=O)N2C[C@@H]3CN(S(=O)(=O)c4cccs4)C[C@@]3(CN(C)C)C2)no1 1772818148 NDBYWHOCHAKBCF-RDTXWAMCSA-N 424.548 1.369 0 50 HDAA COc1cc(Oc2cc(C(=O)NC[C@@H]3CNCCO3)ccc2OC)ccc1CN 1857686653 AYTKGQYKWPXUJS-KRWDZBQOSA-N 401.463 1.673 0 50 HDAA COC(=O)[C@H]1C[C@H]2CN(C(=O)c3cc(C)nc(C)n3)CC(=O)N2[C@H]1c1ccccc1 1875243010 LGYKRKAJRYERRS-ZWOKBUDYSA-N 408.458 1.681 0 50 HDAA CCn1cc([C@@H](O)CN(Cc2ccccc2)C(=O)c2cc(=O)n3[nH]cnc3n2)cn1 1875262684 DBROTQDQTVPDTE-KRWDZBQOSA-N 407.434 1.010 0 50 HDAA CN(C)c1cc(C(=O)N2CCN(S(=O)(=O)N3CCCC3)CC2)c2ccccc2n1 2100483129 TXYDXRYDOMBDKY-UHFFFAOYSA-N 417.535 1.399 0 50 HDAA CC(C)[C@H](NC(=O)C(=O)N[C@H](c1nnc2n1CCC2)C(C)C)c1nnc2n1CCC2 2325723079 RZZAYOLMZSBYES-HOTGVXAUSA-N 414.514 1.089 0 50 HDAA COc1cc2c(cc1OC)C1(CCN(C(=O)[C@]34CNC[C@H]3COC4)CC1)OCC2 2356136203 KMDVIOHLSZMMTI-KKSFZXQISA-N 402.491 1.330 0 50 HDAA CC[C@@H](C)Nc1nc2c(c(=O)n(C)c(=O)n2C)n1C[C@@H](O)COc1ccccc1C 637534 DIFHZGTWAAQLEQ-HUUCEWRRSA-N 415.494 1.392 0 50 HDAA CS(=O)(=O)N1CCN(c2ccc(NC(=O)c3ccc4c(c3)OCO4)cc2)CC1 809575 VPOIYAKCKGHRQZ-UHFFFAOYSA-N 403.460 1.749 0 50 HDAA CCOC(=O)[C@@H](C)Sc1nc2c(c(=O)[nH]c(=O)n2C)n1CCc1ccccc1 821017 IXCGWECAOLVNFJ-GFCCVEGCSA-N 402.476 1.710 0 50 HDAA O=C(CCC1CCN(C(=O)Cn2cncn2)CC1)N[C@@H]1CCN(Cc2ccccc2)C1 11814060 KXRRLYGNNUQSOI-OAQYLSRUSA-N 424.549 1.688 0 50 HDAA COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)N(C)Cc2nc(C)c[nH]2)c(F)c1 11935561 OEUAFTULJOHGLM-KRWDZBQOSA-N 403.458 1.215 0 50 HDAA CCS(=O)(=O)c1ncc(CN2CCC[C@H]2C(N)=O)n1CCCc1ccccc1 12307327 PXMFMZGNIBRIPC-SFHVURJKSA-N 404.536 1.759 0 50 HDAA CSc1ccc(NC(=O)N[C@H]2C[C@H]3C(=O)N[C@@H](CCCCN)C(=O)N3C2)cc1 14749098 BYOLVKXXVMPCFJ-BPUTZDHNSA-N 405.524 1.127 0 50 HDAA C[C@@H]1CN(Cc2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2cccc(Cl)c2)C[C@@H](C)O1 20533245 IFVUYDJXTWBOHB-CHWSQXEVSA-N 417.897 1.734 0 50 HDAA O=C(Nc1ccc2c(c1)CN(C(=O)Cc1cnc3ncnn3c1)CC2)[C@@H]1CCCO1 20785002 SCJOOZXACMBKPT-SFHVURJKSA-N 406.446 1.369 0 50 HDAA COc1ccc(N([C@@H](C)C(=O)NC2CCN(C)CC2)S(C)(=O)=O)cc1Cl 65365036 IXFXCHCGMRYINI-LBPRGKRZSA-N 403.932 1.714 0 50 HDAA Cc1ccc(CCN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N(C)Cc3nccn3C)[C@H]4C2=O)cc1 77424960 KJSBPPBRPMWMNK-FVLCUVFVSA-N 420.513 1.712 0 50 HDAA COCCN(C)CCN1CC2(CCN(C(=O)c3sc(C)nc3C)CC2)OC1=O 77523907 ZRMWFFIZMHAAGZ-UHFFFAOYSA-N 410.540 1.765 0 50 HDAA O=C([C@H]1[C@@H]2C=C[C@@]3(CN(CCOc4ccccc4)C(=O)[C@H]13)O2)N1CCC(F)CC1 77553596 ZELZOTYQICIHLZ-OZIGNCPNSA-N 400.450 1.808 0 50 HDAA C[C@@H](C(=O)N1CCC2(CCC(=O)N(CCc3c[nH]cn3)C2)CC1)N1CCCC1=O 91288665 IRPNAGNCNOQAIW-INIZCTEOSA-N 401.511 1.194 0 50 HDAA CCCc1cc(C(=O)N2CCC3(CC2)c2nc[nH]c2CCN3C(=O)COC)[nH]n1 95529284 CHJGLTDEYWCFKJ-UHFFFAOYSA-N 400.483 1.248 0 50 HDAA Cc1cn2nc(C(=O)NCCN3CCN(c4cccc(C)c4C)CC3)cc2c(=O)[nH]1 206645432 ABHPWDORHHCHDL-UHFFFAOYSA-N 408.506 1.500 0 50 HDAA CN1CCN2c3c(F)cccc3C[C@]3(C(=O)NC(=O)N(c4ccccc4)C3=O)[C@H]2C1 248150521 TVMRODHVKUWYIA-VGOFRKELSA-N 408.433 1.772 0 50 HDAA CC(C)[C@H](N)C(=O)NC[C@H]1CC[C@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)O)CC1 252460198 CNBBZDFADCNPHA-VJANTYMQSA-N 403.523 1.704 0 50 HDAA biogenic CC[C@H](CCO)CNS(=O)(=O)C[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 253431928 YOHYPUVTFOLTKM-AEFFLSMTSA-N 414.524 1.352 0 50 HDAA COC(=O)c1cn(CCC(=O)N2CCN(c3ccccc3)CC2)cc2c(=O)[nH]nc1-2 263587559 IHUZKAGSRKTAJG-UHFFFAOYSA-N 409.446 1.202 0 50 HDAA O=C(CCn1cnc2ccccc21)N1CCCN(S(=O)(=O)N2CCCCC2)CC1 952968530 CICTVLPBQAVPQU-UHFFFAOYSA-N 419.551 1.691 0 50 HDAA C[C@]1(c2cccc(CNC(=O)[C@@H]3CC(=O)N(c4ccc(F)cc4)C3)c2)NC(=O)NC1=O 1338671753 WNLMDNNICYRILD-JLCFBVMHSA-N 424.432 1.550 0 50 HDAA COc1ccc(S(N)(=O)=O)cc1C(=O)N1CCC([C@@H](O)c2cccs2)CC1 1506430621 BLDAOUVZPKLNCY-QGZVFWFLSA-N 410.517 1.990 0 50 HDAA CCCCS(=O)(=O)N1C[C@@H]2CN(C(=O)Cc3cccnc3)C[C@]2(CN(C)C)C1 1772814994 BROPORFBTSKUJY-AZUAARDMSA-N 408.568 1.076 0 50 HDAA O=S(=O)(CC1CC(c2ccc(Cl)cc2)C1)NCCN1CCCS1(=O)=O 2325820274 LHWLJCJPQSZEIE-UHFFFAOYSA-N 406.957 1.789 0 50 HDAA COC(=O)[C@@H](C)NC(=O)[C@H](c1ccccn1)N(C(=O)c1ccccc1)c1cnn(C)c1 2325826958 QTTKVWOMDDVACB-BEFAXECRSA-N 421.457 1.881 0 50 HDAA N=c1nc2c(c[nH]1)CC[C@]21CCCN(C(=O)CCS(=O)(=O)c2ccccc2)C1 2356136923 BQWJEBPEFMJOAN-FQEVSTJZSA-N 400.504 1.560 0 50 HDAA CCCc1cc(C(=O)N2CCc3nnc(CNC(=O)c4ccccc4)n3CC2)no1 11786439 KJKLLVMJMLBERW-UHFFFAOYSA-N 408.462 1.847 0 50 HDAA COC(=O)Cn1c(=O)c2c(nc3n(-c4ccc(Cl)cc4)c(C)cn23)n(C)c1=O 13540658 QTDLEVRAQHARCH-UHFFFAOYSA-N 401.810 1.273 0 50 HDAA COc1ccccc1CN[C@H]1C[C@H]2C(=O)N[C@@H](COCc3ccccc3)C(=O)N2C1 14755452 VBXZLIBUDPMSAF-UFYCRDLUSA-N 409.486 1.470 0 50 HDAA O=S(=O)(c1ccccc1)N1CCN(C[C@H](O)COc2ccc3c(c2)CCC3)CC1 19373657 PYLKDKVZEBKODU-FQEVSTJZSA-N 416.543 1.922 0 50 HDAA O=C(C[C@@H]1C(=O)NCCN1Cc1ccc(Cl)c(F)c1)NCCc1ccccn1 55569049 DVOPGWMNBYTITB-GOSISDBHSA-N 404.873 1.924 0 50 HDAA O=C(NCCc1ccccc1)[C@H]1CCCN(C2CCN(C(=O)c3ncn[nH]3)CC2)C1 82121661 ALCKLVCREWILDS-SFHVURJKSA-N 410.522 1.480 0 50 HDAA Cc1ccccc1C[C@@H](C)N(C)C(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 225564112 JDGTXDORCPRNJP-NVXWUHKLSA-N 405.520 1.550 0 50 HDAA CCN1CCC[C@H]1CNC(=O)CC[C@H]1N=C(O)N(Cc2ccc3c(c2)OCO3)C1=O 252571275 XQZGFVDQBHBXOC-JKSUJKDBSA-N 416.478 1.421 0 50 HDAA C[C@@H]1CO[C@@H](CO)CN1C(=O)c1cn(C)nc1[C@H]1CCCN(C(=O)OC(C)(C)C)C1 253393073 PYTVCFNZDRUXQU-OWCLPIDISA-N 422.526 1.756 0 50 HDAA NC(=O)c1cnc(C(=O)OCC(=O)Nc2ccccc2N2CCCC2=O)c(Cl)c1 1320557895 HVBXHSCEFUQYEG-UHFFFAOYSA-N 416.821 1.756 0 50 HDAA COC1(C(=O)NCCn2ncc3ccccc3c2=O)CCN(c2ccncc2)CC1 1857673408 RXOWFEHVGIUZTK-UHFFFAOYSA-N 407.474 1.593 0 50 HDAA O=C1CCCN1c1ccc(CNS(=O)(=O)CC[C@H]2CCS(=O)(=O)C2)cc1 1857703051 GPIKIYNBAGUJBR-OAHLLOKOSA-N 400.522 1.058 0 50 HDAA Cc1ccc2cc1OCCNC(=O)C[C@@H]1CC[C@H](CNC2=O)N1C(=O)c1cn[nH]c1 1857709890 WPLJISIRTVKYGM-DLBZAZTESA-N 411.462 1.020 0 50 HDAA O=C(CN1C(=O)c2ccccc2S1(=O)=O)Nc1ccc(N2CCOCC2)cc1 1462421 UJZJYAHASYRKCV-UHFFFAOYSA-N 401.444 1.306 0 50 HDAA COc1cc(S(=O)(=O)N2CCC(C(N)=O)CC2)ccc1I 8714974 MDMUOMPYQJDQNQ-UHFFFAOYSA-N 424.260 1.186 0 50 HDAA CC(C)[C@@H](NC(=O)c1ccccn1)c1nnc2n1CCN(C(=O)[C@H]1CCOC1)CC2 12020033 UTKWJCKOENPOFY-MAUKXSAKSA-N 412.494 1.221 0 50 HDAA COCCCNC(=O)c1nn(C)c2c1CN(Cc1ccc3c(c1)OCCO3)CC2 14539832 TZDCCOCYYUAIAO-UHFFFAOYSA-N 400.479 1.516 0 50 HDAA CCC[C@@H]1NC(=O)[C@H]2CN(Cc3cnn(-c4ccccc4Cl)c3)CCN2C1=O 14752734 LXICBPXRMHTXEY-FUHWJXTLSA-N 401.898 1.837 0 50 HDAA CCOC(=O)N1CCC(N2CCc3nnc(CNC(=O)[C@H](C)CC)n3CC2)CC1 14881138 QNCABRQCJSKEGC-OAHLLOKOSA-N 406.531 1.419 0 50 HDAA O=C1[C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C(=O)N1c1ccc2c(c1)OCO2 15021671 BIFWRLIMBVQLOC-NSNOHRKYSA-N 417.421 1.847 0 50 HDAA biogenic COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)N(C)Cc2ccno2)c(OC)c1 19812866 KVCTZXJHZIKRBD-KRWDZBQOSA-N 402.451 1.041 0 50 HDAA CCN1CCN(C(=O)[C@@H](C)N(c2cc(Cl)ccc2OC)S(C)(=O)=O)CC1 20568041 CYKOGOXYBARSPN-CYBMUJFWSA-N 403.932 1.667 0 50 HDAA COc1ccc(F)c(CN2CCc3nnc(CCNC(=O)[C@H]4CCCO4)n3CC2)c1 20995865 DHTTXPMFYLASLM-GOSISDBHSA-N 417.485 1.322 0 50 HDAA CCS(=O)(=O)c1ncc(CN2CCN(CCOC)CC2)n1Cc1ccccc1 22914114 FSIMSSKWJRIJTF-UHFFFAOYSA-N 406.552 1.489 0 50 HDAA CC(=O)NCCC(=O)N1CCC[C@H](N2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 23374838 HJVKEZGLCXOIPA-IBGZPJMESA-N 416.522 1.050 0 50 HDAA COc1cc2nc(N3CCCN(C(=O)[C@@H]4CCCO4)CC3)nc(N)c2cc1OC 38225335 UVRPXRULTXYXGF-HNNXBMFYSA-N 401.467 1.447 0 50 HDAA Cc1nn(-c2ccc(N3CCOCC3)nn2)c2c1[C@H](c1ccc(O)cc1)CC(=O)N2 65363703 DJOFMQXQZRNKNW-INIZCTEOSA-N 406.446 1.987 0 50 HDAA COC(=O)CC[C@@H]1CN(Cc2cc(OC)c3c(c2)OCO3)CC[C@@H]1N1CCOCC1 207580951 DZGVPUVVYCGGML-MSOLQXFVSA-N 420.506 1.900 0 50 HDAA O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)[C@H]1[C@H]2C=C[C@@H](CC2)[C@H]1C(=O)O 225745316 WOIYWQLLJZTJBX-DFEHZGFQSA-N 420.487 1.559 0 50 HDAA CC(C)Oc1ccccc1[C@H](C)NC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 240897269 IRRUWSSWGYCFQR-XHSDSOJGSA-N 408.520 1.687 0 50 HDAA O=C1N[C@@H](Cc2nc([C@H]3CCC(=O)N(CC4CCC4)C3)no2)C(=O)Nc2ccccc21 904836004 OJUQUVAXMYUNGJ-YOEHRIQHSA-N 423.473 1.869 0 50 HDAA COc1cc2c(cc1OC)C1(CCN(C(=O)C3=NN(C)C(=O)CC3)CC1)OCC2 1704299639 OVZLGABVEJJVII-UHFFFAOYSA-N 401.463 1.702 0 50 HDAA CN(C)c1ncc2c(n1)[C@]1(CCCN(c3cc(N)nc(N4CCOCC4)n3)C1)CC2 1704327698 FYCAHJCXJHZXBS-OAQYLSRUSA-N 410.526 1.236 0 50 HDAA CN(CC1(CO)CC1)C(=O)[C@@H]1CC(=O)N(c2nnc(Cc3ccccc3)s2)C1 1857734392 QZSWVMNHBPXBAD-OAHLLOKOSA-N 400.504 1.713 0 50 HDAA CN1CC[C@@H](C(=O)NCc2ccc(CNc3ncnn4cccc34)cc2F)CC1=O 1875327587 AFMADNWFZVWZNP-OAHLLOKOSA-N 410.453 1.965 0 50 HDAA O=C1CC[C@H](N2Cc3cc(NC(=O)N4Cc5ccncc5C4)ccc3C2=O)C(=O)N1 2325901590 MQZMKEYAOFWOFM-KRWDZBQOSA-N 405.414 1.390 0 50 HDAA COc1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 674060 VJUXFSMAUMACST-UHFFFAOYSA-N 406.460 1.734 0 50 HDAA COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCOCC3)C2)cc1Cl 2874669 XGVDDRPBOFFDKH-ZDUSSCGKSA-N 402.900 1.608 0 50 HDAA COCCNC(=O)c1cn(C2CCN(C(=O)c3ccc(OC)cc3OC)CC2)nn1 12099511 PAIRAHLYFFBVNW-UHFFFAOYSA-N 417.466 1.149 0 50 HDAA CC(C)CNC(=O)c1cn(C2CCN(C(=O)Cc3ccc4c(c3)OCO4)CC2)nn1 14961081 KHYKFFWIDVSMIY-UHFFFAOYSA-N 413.478 1.799 0 50 HDAA O=C(CC[C@H]1CCCN(C(=O)Cn2cncn2)C1)N1CCN(Cc2ccccc2)CC1 20780671 IGFDVWXMMIAGTA-OAQYLSRUSA-N 424.549 1.641 0 50 HDAA CCOC(=O)c1cc(NC(=O)[C@H]2[C@H](C(=O)O)[C@H]3C=C[C@H]2O3)cc(C(=O)OCC)c1 239203456 SKHFQSMLRAGBOO-KLHDSHLOSA-N 403.387 1.633 0 50 HDAA O=c1cc(N2CCC(O)CC2)cnn1[C@H]1CCCN(Cc2nc3c(s2)CCC3)C1 328606931 UAQWZMGRGRTCEU-HNNXBMFYSA-N 415.563 1.987 0 50 HDAA CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)c1cc2c(-c3ccccc3)nn(C)c2s1 426602494 MIFSQOGDJPHYDP-ZIAGYGMSSA-N 405.501 1.844 0 50 HDAA N=C(NC[C@H](CO)Cc1ccc(C(F)(F)F)cc1)N1CCN(c2ncccn2)CC1 849097832 PONDKKYVTOVUTK-MRXNPFEDSA-N 422.455 1.993 0 50 HDAA O=C([C@@H]1CCCCN1C(=O)c1ccc(O)nn1)N1CC[C@]2(C1)C(=O)Nc1ccccc12 1255296441 MAFSAVNKGLFAPF-HTAPYJJXSA-N 421.457 1.299 0 50 HDAA O=C(COCCOCCOCCOCCO)Oc1c(F)c(F)cc(F)c1F 1875390008 IAQZNFCJUWXAIR-UHFFFAOYSA-N 400.321 1.207 0 50 HDAA Cc1n[nH]cc1-c1nc([C@H]2OCC(=O)N[C@@H]2c2ccccc2)n(-c2ccnn2C)n1 2100473639 QTVVOKWOZXLKRN-MSOLQXFVSA-N 404.434 1.628 0 50 HDAA Cc1ccn(C(C)(C)C(=O)Nc2ccc3c(c2)C(=O)N([C@H]2CCC(=O)NC2=O)C3)n1 2325895681 GQBBPXCQJNHTTQ-INIZCTEOSA-N 409.446 1.326 0 50 HDAA COc1cc2c(cc1OC)C1(CCN(C(=O)[C@H]3CCc4ncnn4C3)CC1)OCC2 2356153484 JCHOTNQISRKNMB-INIZCTEOSA-N 412.490 1.948 0 50 HDAA CCC[C@]1(C(=O)O)CCN(C(=O)CCCc2nc(-c3cccnc3)no2)C[C@@H]1O 2356159088 LIUBOTDOGSJJHG-YWZLYKJASA-N 402.451 1.919 0 50 HDAA COC(=O)C1=C(C(=O)OC)[C@H]2c3ccccc3C=CN2C(C(=O)OC)=C1C(=O)OC 4532625 KYHISUHKDYOMRA-MRXNPFEDSA-N 413.382 1.270 0 50 HDAA biogenic COc1ccc(N2C[C@@H](C(=O)NCc3nnnn3-c3ccc(C)c(C)c3)CC2=O)cc1 8831346 ICEKBOATZRYOPZ-INIZCTEOSA-N 420.473 1.957 0 50 HDAA CCS(=O)(=O)c1ncc(CN(C)C[C@@H]2CCN(CC(C)C)C2)n1CCOC 11817360 WYPDVZNIFFTDBZ-KRWDZBQOSA-N 400.589 1.733 0 50 HDAA COc1cc(CN2CCNC(=O)[C@H]2CC(=O)NCc2ccncc2C)cc(OC)c1 11874559 JKGNZRQQTNGADC-HXUWFJFHSA-N 412.490 1.414 0 50 HDAA COc1ccc(F)cc1S(=O)(=O)N1CCC[C@H](C(=O)NC[C@@H]2CCCO2)C1 13580577 VPJHHJSYKGVNRT-ZFWWWQNUSA-N 400.472 1.530 0 50 HDAA COc1ccc(C[C@@H]2NC(=O)[C@H]3CN(C(=O)c4ccc(F)cc4)CCN3C2=O)cc1 14733140 NFNMZJZGXAGGHH-RBUKOAKNSA-N 411.433 1.228 0 50 HDAA COCCN1CCC(CN(C[C@@H]2CCCO2)C(=O)Cn2nc3ccccc3n2)CC1 20906689 DEAPZJCKONRAMI-IBGZPJMESA-N 415.538 1.797 0 50 HDAA COc1ccc(-c2cn3cc(C(=O)N[C@@H](C)C(N)=O)nc3c(=O)n2CC2CC2)cc1 72421284 HYERWZOQVPAOBU-LBPRGKRZSA-N 409.446 1.185 0 50 HDAA COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)Cc1ccccc1F)CC2 95500318 CUJFGQUPPBYDKW-UHFFFAOYSA-N 400.454 1.640 0 50 HDAA COC(=O)C[C@H](c1cnn(C)c1)c1c(O)n2cc(Br)ccc2nc1=O 206053712 CPSZSZPWUCLPBI-LLVKDONJSA-N 407.224 1.591 0 50 HDAA O=c1c2ccccc2nnn1C[C@H]1CC[C@H](C(=O)N2CCC3(CC2)OCCO3)CC1 238937256 USPOFKMUJDXALY-QAQDUYKDSA-N 412.490 1.963 0 50 HDAA CC(C)CNC(=O)CNC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1 245255657 JXCQMZCNJXSUFR-QAQDUYKDSA-N 409.552 1.660 0 50 HDAA COc1ccc([C@H](C(=O)O)N2CCC(C(N)=O)(N3CCCCC3)CC2)cc1OC 1506421359 OXSMJIQYDODZSF-GOSISDBHSA-N 405.495 1.635 0 50 HDAA CS(=O)(=O)CCN1C[C@H]2CN(Cc3ncc[nH]3)C[C@@]2(CCc2ccccc2)C1 1772816543 UHLUYARLFHZLAM-PZJWPPBQSA-N 402.564 1.821 0 50 HDAA Cc1ccc(N2CCC(N[C@@H]3C[C@H]4CO[C@@H](CC(=O)N(C)C)CN4C3)CC2)cc1 1857732789 HAPFBAJLULLEKI-HJNYFJLDSA-N 400.567 1.873 0 50 HDAA C[C@@]1(C(=O)N2CC(F)(CNC(=O)c3cnn4cccnc34)C2)[C@@H]2c3ccccc3C[C@H]21 2325826995 RJNYRLPRRNLJIT-HMFYCAOWSA-N 419.460 1.986 0 50 HDAA CCN1C[C@@H](C(=O)N2CCC[C@@H](NC(=O)c3cccc(C(N)=O)c3)CC2)CCC1=O 2325864756 ZDHKACYEBNTGRW-ZWKOTPCHSA-N 414.506 1.155 0 50 HDAA CS(=O)(=O)N(CC(=O)N1CCC(C(N)=O)CC1)c1cc(Cl)ccc1Cl 1137323 NURAXZFEXUUUNI-UHFFFAOYSA-N 408.307 1.483 0 50 HDAA Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)[C@@H]3CC=CC[C@H]3C(=O)O)CC2)c1 6741134 CULVBXDNGNCMOW-IAGOWNOFSA-N 406.504 1.803 0 50 HDAA NC(=O)CN1C(=O)N(CCc2ccccc2)C2(CCN(Cc3ccco3)CC2)C1=O 14744973 XOLQFEFCDCGYDN-UHFFFAOYSA-N 410.474 1.606 0 50 HDAA O=C([C@H]1CC(Cc2ccc3c(c2)OCO3)=NO1)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 14952676 UXZFNUOVKMMTQG-VWKPWSFCSA-N 421.453 1.910 0 50 HDAA O=C(COc1ccc(Cl)cc1S(=O)(=O)N1CCOCC1)NC1CCCC1 16622739 MKERLRODBYNEGH-UHFFFAOYSA-N 402.900 1.799 0 50 HDAA Cc1noc(C)c1C(=O)N1CCc2ccc(S(=O)(=O)NCC[C@@H](C)O)cc2C1 77469981 SFVQMRIFIUNEKV-GFCCVEGCSA-N 407.492 1.539 0 50 HDAA Cc1c[nH]c(C(=O)N2CCC3(CC2)CN(CCN2CC[C@@H](N(C)C)C2)C(=O)O3)c1 77487719 HTHZJPJMBHAUPS-QGZVFWFLSA-N 403.527 1.386 0 50 HDAA Cc1nccn1CCN(C)C(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(Cc4cccnc4)C(=O)[C@@H]13)O2 77539467 OWSIWMYAVPMACC-VWNVYAMZSA-N 407.474 1.027 0 50 HDAA COC(=O)C1(C(=O)N[C@@H]2CCN([C@H](C(=O)OC(C)(C)C)c3ccccc3)C2=O)CC1 170608638 UWRBRTVSJFHSQB-CVEARBPZSA-N 416.474 1.740 0 50 HDAA O=C(COC(=O)CCN1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C1=O)Nc1ccc(F)cc1 239038775 DXECMJXJDXDTLH-DEGRCIOYSA-N 412.417 1.751 0 50 HDAA COc1ccc([C@H](CC(N)=O)c2oc(CN3CCCCC3)cc(=O)c2O)cc1CO 253407510 JXWGESFAPOXXGM-KRWDZBQOSA-N 416.474 1.840 0 50 HDAA biogenic CCCc1noc(CN(C)C(=O)NCc2cc3n(n2)CCN(C(=O)C(C)C)C3)n1 534589034 TZPDVOVZWVCSFO-UHFFFAOYSA-N 403.487 1.558 0 50 HDAA Nc1ncccc1CN1C[C@@H]2CN(C(=O)c3ccc4ncsc4c3)C[C@]2(CO)C1 1772806118 ZDJXCGAMBXLSCV-IERDGZPVSA-N 409.515 1.840 0 50 HDAA O=C(COc1ccc(-n2cnnn2)cc1)N1CCO[C@@]2(CCN(CC3CCC3)C2)C1 1857686996 MECCTJOPJDWEDQ-OAQYLSRUSA-N 412.494 1.145 0 50 HDAA CN(C)C[C@@H]1OCCN(C(=O)c2ccc(Cn3cnnn3)cc2)[C@H]1c1ccccc1 1857722726 MBDKZUPOFZOJKI-SFTDATJTSA-N 406.490 1.865 0 50 HDAA COCCn1nnc([C@@H]2CN(Cc3nc(-c4ccccc4F)oc3C)CCO2)n1 1875249905 JECHRTXGXAFKCH-KRWDZBQOSA-N 402.430 1.996 0 50 HDAA CCN1CCC[C@@H](n2cc([C@@H]3CCN(C(=O)c4ccc5c(c4)C(=O)NC5)C3)nn2)C1=O 1875359699 MXTMWQMCGWDDNF-VQIMIIECSA-N 422.489 1.335 0 50 HDAA CCCO[C@@H]1CC[C@H](C(=O)NCc2cn(C)nc2C)C[C@H]1NC(=O)c1ncc[nH]1 2100482993 KTBUVJXHUFEOPB-USXIJHARSA-N 402.499 1.462 0 50 HDAA Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc4c(n3)N(C)CC4)CC2)cc1 2100483357 NWSPPHBTRKLNCS-UHFFFAOYSA-N 400.504 1.529 0 50 HDAA C[C@H]1CN(C2CCN(C[C@@H](C)CN3CCC(N4CCO[C@H](C)C4)CC3)CC2)CCO1 2325733829 ZWNQVGVQIKMVKX-KOUNCHBCSA-N 422.658 1.993 0 50 HDAA COc1ccc(F)c(NC(=O)c2ccc3c(c2)C(=O)N([C@@H]2CCC(=O)NC2=O)C3)c1 2325886932 OTBXWJTYLWTTOZ-QGZVFWFLSA-N 411.389 1.848 0 50 HDAA COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)N2CCC(OC)CC2)c(OC)c1 11999011 FODCCOSWCVBALM-SFHVURJKSA-N 405.495 1.032 0 50 HDAA CC1(C)CS(=O)(=O)N(c2ccc(Cl)c(C(=O)NC[C@@H]3CCCO3)c2)C1=O 12003564 JBWAZFODJVOTLT-LBPRGKRZSA-N 400.884 1.951 0 50 HDAA COc1ccc([C@@]2(CC(=O)N3CCNC(=O)C3)CC(=O)N(CCC(C)C)C2=O)cc1 14884796 VFEXUDXZEAASBW-JOCHJYFZSA-N 415.490 1.087 0 50 HDAA O=C(NCCc1nc(-c2ccccc2)cs1)c1cn(CCN2CCOCC2)nn1 14978348 IQQRZQKSBBTWKV-UHFFFAOYSA-N 412.519 1.706 0 50 HDAA CN(CCc1cn[nH]c1)C(=O)C[C@@H]1C(=O)NCCN1Cc1ccc(Cl)c(F)c1 20994755 ABWIIJZVSHJNHQ-QGZVFWFLSA-N 407.877 1.594 0 50 HDAA Cc1nc(N2CCOCC2)cc(N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)n1 33318437 YORCKGKTSCOIOM-UHFFFAOYSA-N 421.498 1.272 0 50 HDAA O=C(NCc1ccccn1)[C@@H]1CCCN(C2CCN(CCN3CCCC3=O)CC2)C1 82121852 JJEOXYHNRPTMBK-LJQANCHMSA-N 413.566 1.497 0 50 HDAA O=C(NC1CC1)c1ccc(C(=O)N2CCNC(=O)[C@@H]2Cc2nc3ccccc3o2)cc1 170605777 YEYBPRCPMNCWEO-SFHVURJKSA-N 418.453 1.903 0 50 HDAA CCOC(=O)C(C(=O)OCC)[C@@H]1[C@@H]2C(=O)[C@H]3[C@H]4CC[C@@H]5[C@@H]4[C@H]4[C@@H]3[C@H]2[C@H]2[C@H]1C(=O)[C@H]5[C@@H]24 253611114 MKFVYQPUKYMICH-JFMUSPCJSA-N 412.482 1.753 0 50 HDAA CC[C@@H]1[C@H](C(=O)N2CCCCC2)C[C@@H]2CN(C(=O)CCc3cn[nH]c3)CC(=O)N21 1857693861 PYADKAAUELPTLV-KZNAEPCWSA-N 401.511 1.193 0 50 HDAA Cc1nc(N)cc(N2CCC(N3C[C@@H](COc4ccc(F)cc4)OCC3=O)CC2)n1 1857701469 LDFHWVUTBJERAR-SFHVURJKSA-N 415.469 1.782 0 50 HDAA O=C([C@@H]1C[C@@H]2CC[C@H]1O2)N1CCC2(CCc3c(O)nc(N4CCOCC4)nc32)CC1 1857721405 NHXNMLLEGMPUNF-USXIJHARSA-N 414.506 1.393 0 50 HDAA O=C(N[C@@H]1CCCCCN(C(=O)[C@@H]2CCCS2(=O)=O)C1)[C@H]1CNc2ccccc21 1875344184 GWPPCVXPZNFVPK-AYBZRNKSSA-N 419.547 1.660 0 50 HDAA O=C1C[C@H]2CCCCN2CCCN(C(=O)Cn2nc3ccccc3n2)CCCCN1 2100533177 DKDLURJYAUSEIT-GOSISDBHSA-N 412.538 1.805 0 50 HDAA CCOC(=O)[C@@H]1Cc2cc(S(=O)(=O)Nc3cccc4c3CCNC4=O)ccc2O1 2325822455 YIPHPIBLCCUVSL-SFHVURJKSA-N 416.455 1.640 0 50 HDAA CCN1C[C@H](C(=O)N2CCCC[C@H](NC(=O)c3ccc(NC)cn3)C2)CCC1=O 2325864013 DGQXMRLNSGCUMB-WBVHZDCISA-N 401.511 1.493 0 50 HDAA CN(C)c1nc(N)nc(CSc2nnnn2-c2ccc(Cl)c(C(=O)O)c2)n1 2878008 ITKVDWOFAIQSNK-UHFFFAOYSA-N 407.847 1.139 0 50 HDAA CCOC(=O)CN1C(=O)S/C(=C/c2ccc(OCC(N)=O)c(OCC)c2)C1=O 2953563 NYVVQYYSCPNABK-RIYZIHGNSA-N 408.432 1.549 0 50 HDAA Cc1ccc(OCc2cc(C(=O)N3CCC[C@@H](C(=O)N4CCOCC4)C3)no2)cn1 12308547 HFASRLUGKQGNDB-MRXNPFEDSA-N 414.462 1.668 0 50 HDAA COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)N(C)Cc2nonc2C)cc1C 12714596 VEXIYUGRLFPSML-KRWDZBQOSA-N 401.467 1.044 0 50 HDAA CCOC(=O)N1CCC(NC(=O)C[C@@H]2C(=O)NCCN2Cc2ccccc2)CC1 14957160 YSVPVPJYFDOKFO-GOSISDBHSA-N 402.495 1.114 0 50 HDAA COc1ccc(CCN2C(=O)C[C@@H](NCc3ccc4c(c3)OCO4)C2=O)cc1OC 19818558 RABXTWXYUCXXKL-MRXNPFEDSA-N 412.442 1.892 0 50 HDAA biogenic COc1cc(CN(C)Cc2cc(C)no2)ccc1OC[C@H](O)CN1CCOCC1 20210247 VNQXUYBQUBMVCB-GOSISDBHSA-N 405.495 1.696 0 50 HDAA COc1cc(C)c(CN(C)CCn2cc(C(=O)N3CCN(C)CC3)nn2)cc1C 20542812 DHMOJCVJURYVHL-UHFFFAOYSA-N 400.527 1.423 0 50 HDAA Cc1[nH]c2ccccc2c1CCNC(=O)[C@@H]1CCC(=O)N(CCN2CCOCC2)C1 46018858 HCEURLCIYXUPGL-GOSISDBHSA-N 412.534 1.706 0 50 HDAA C[C@H](NC(=O)C[C@H]1NC(=O)N(CCc2ccccc2)C1=O)c1nnc2ccccn12 223230001 QKGLSKHMTLLIGA-GOEBONIOSA-N 406.446 1.460 0 50 HDAA O=C(O)[C@H]1[C@H](C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)[C@H]2CC[C@H]1O2 239173667 OKDJJEATYLQQOR-AAVRWANBSA-N 423.472 1.761 0 50 HDAA CN1CCN2c3ccccc3C[C@@]3(C(=O)NC(=O)N(Cc4ccccc4)C3=O)[C@H]2C1 245326926 NEMLDXOKRDIZGR-XXBNENTESA-N 404.470 1.628 0 50 HDAA O=C([C@@H]1CCCCN1C(=O)c1ccc(O)nn1)N1CCCN2c3ccccc3C[C@@H]2C1 427029626 JVXDFPXLMSLWOF-XLIONFOSSA-N 421.501 1.841 0 50 HDAA CS(=O)(=O)CCN1C[C@H]2CN(Cc3ncc[nH]3)C[C@]2(CCc2ccccc2)C1 1772816542 UHLUYARLFHZLAM-FPOVZHCZSA-N 402.564 1.821 0 50 HDAA CCNC(=O)N1CCC(OC)(C(=O)N(C)Cc2nc(O)c3sccc3n2)CC1 1857697443 ALWUMVNBIFWEBI-UHFFFAOYSA-N 407.496 1.566 0 50 HDAA N=c1ccc(-c2cn([C@H]3CCCN(C(=O)c4ccc(-n5cccn5)nc4)C3)nn2)c[nH]1 1875332189 KUSDALKYUOLTLG-KRWDZBQOSA-N 415.461 1.811 0 50 HDAA O=C(COCc1cn(-c2ccnc3ccccc23)nn1)NC1(C(=O)O)CCOCC1 1875353734 DTUIAQVCWVXSLU-UHFFFAOYSA-N 411.418 1.082 0 50 HDAA CC(=O)NCc1ccc(C(=O)N2CCC[C@@H]2C(=O)NCc2ccc(CN)cc2)cc1 2325869443 NVTNDFANALZHFP-OAQYLSRUSA-N 408.502 1.702 0 50 HDAA C[C@H](c1nc(=N)[nH]c(=Nc2ccccc2)[nH]1)N1CCC(C[C@H]2CC(=O)NC2=O)CC1 2325877985 AXJUEJZBLSAQOF-HIFRSBDPSA-N 409.494 1.275 0 50 HDAA CCn1cc(CN2CCN3C(=O)[C@H](Cc4ccc(Cl)cc4)NC(=O)[C@H]3C2)c(C)n1 14534915 NJTVZQVGFZOBOV-RBUKOAKNSA-N 415.925 1.619 0 50 HDAA CC(C)=CCN1CCNC(=O)[C@@H]1CC(=O)NCCn1nc(-c2ccccc2)ccc1=O 20205477 XBQOVIDPGKDFMJ-FQEVSTJZSA-N 423.517 1.183 0 50 HDAA O=C(CCc1ccccn1)N1CC[C@@H](N2CCN(c3ccccc3F)CC2)[C@H](O)C1 20514979 ZMHXQJSSVKTMRX-FGZHOGPDSA-N 412.509 1.937 0 50 HDAA CN(C)CCNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1cccc2ccccc12 32508910 KBLXYSCLAANVFY-UHFFFAOYSA-N 406.490 1.609 0 50 HDAA Cc1nonc1CN(C)C(=O)C[C@@H]1C(=O)NCCN1Cc1c(F)cccc1Cl 55183051 ICCLZIWWLPUQLT-MRXNPFEDSA-N 409.849 1.520 0 50 HDAA CN(CCc1ccccn1)C(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(Cc4cccnc4)C(=O)[C@@H]13)O2 77515642 WTYNVXGDIZABQG-VAWZGJIGSA-N 404.470 1.460 0 50 HDAA Cn1cc(Cl)c(C(=O)N2CCC3(CC2)c2nc[nH]c2CCN3C(=O)C2CC2)n1 95523914 RZWFGBQICOTMRU-UHFFFAOYSA-N 402.886 1.723 0 50 HDAA Cc1cn([C@@H]2O[C@H](CC(=O)Oc3ccccc3)[C@H]3OC(C)(C)O[C@H]32)c(O)nc1=O 253623282 LYVAXTPGEBXFJT-GFOCRRMGSA-N 402.403 1.671 0 50 HDAA O=C(N[C@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1)C1CCS(=O)(=O)CC1 466327214 XFKJMQTWCUWCGW-AWEZNQCLSA-N 418.437 1.747 0 50 HDAA Cn1ncc2c1C[C@@H](C(=O)NS(=O)(=O)c1cc(Br)cs1)CC2 806096168 KLDPAIJPDCYGKK-QMMMGPOBSA-N 404.311 1.854 0 50 HDAA CCc1ccc(N2C[C@@H](C(=O)N3CCCC[C@@H]3CCNS(C)(=O)=O)CC2=O)cc1 918639976 LCZMWASPGLXOKC-ZWKOTPCHSA-N 421.563 1.922 0 50 HDAA CNC(=O)Cn1cc(NC(=O)[C@@H](C)Sc2nnnn2-c2cccc(C)c2)cn1 1529172933 JVJMSAGJTZUWNH-GFCCVEGCSA-N 400.468 1.033 0 50 HDAA COc1ccc(S(=O)(=O)N2CCN([C@H]3CCOC4(CCNCC4)C3)CC2)cc1 1857679440 LWJMBSAJPRFKOI-KRWDZBQOSA-N 409.552 1.303 0 50 HDAA CO[C@@H]1CC[C@H](C(=O)N2C[C@H]3COC[C@H]3C2)C[C@H]1NC(=O)c1cc(C2CC2)no1 1857695011 PKYTUHCWAOUTQJ-KCEFYPGHSA-N 403.479 1.570 0 50 HDAA O=C1CC[C@@H](N2Cc3cc(-n4cc(-c5cccc(Cl)n5)nn4)ccc3C2=O)C(=O)N1 1875356404 UZNRTOWKZHWCQE-MRXNPFEDSA-N 422.832 1.744 0 50 HDAA Cc1nc(CN2CCN(C(=O)[C@H]3OCC(=O)N[C@@H]3c3ccccc3)CC2)cs1 2100483965 VJEZKTXLGZQWRO-MOPGFXCFSA-N 400.504 1.352 0 50 HDAA Cn1c(=O)n(C)c2cc(S(=O)(=O)NCCC3(CN)CC3)c(Br)cc21 2325825307 LVGNVQXERFIVSG-UHFFFAOYSA-N 417.329 1.047 0 50 HDAA O=C1NCCN(Cc2ccc(F)cc2)[C@@H]1CC(=O)N1CC2(COc3ccccc3C2)C1 2356145237 HKFNBQRLDBMWMA-HXUWFJFHSA-N 423.488 1.980 0 50 HDAA CC(C)CCn1c(N2CCN(c3ccccc3)CC2)nc2c1c(=O)n(C)c(=O)n2C 637409 UQKPBHRRVKOGFY-UHFFFAOYSA-N 410.522 1.806 0 50 HDAA CCOC(=O)C1=C(N)N2C(=O)[C@H](C)SC2=C(C(=O)OC)[C@@H]1c1ccccc1OC 1075431 ILCPEENVIYSJBC-GXFFZTMASA-N 418.471 1.874 0 50 HDAA O=C(Cn1nnnc1CN1CCCC1)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 11996953 UWYGXMHRBAEMJA-UHFFFAOYSA-N 413.570 1.382 0 50 HDAA Cn1c(=O)n(C)c2cc(CNC(=O)[C@H]3CCC(=O)N(CCc4ccccn4)C3)ccc21 12203398 MPIQUQCTJOCPID-KRWDZBQOSA-N 421.501 1.370 0 50 HDAA Cn1nc(C(=O)N2CCSCC2)c2c1CC[C@H](NCc1ccc3c(c1)OCO3)C2 14740653 XYKUBOKCLTZCKD-HNNXBMFYSA-N 414.531 1.985 0 50 HDAA COc1cc(CNCc2cnn(C)c2)ccc1OC[C@H](O)CN1CCSCC1 14960159 IBKLHRFDDRNLBG-GOSISDBHSA-N 406.552 1.507 0 50 HDAA O=C1C[C@H](N2CCC3(CC2)C(=O)NCN3c2ccccc2)C(=O)N1c1ccc(F)cc1 15321465 OXJOOAMLVVWQNL-IBGZPJMESA-N 422.460 1.886 0 50 HDAA O=C(C[C@H]1C(=O)NCCN1Cc1cccnc1)NCc1ccccc1OC(F)(F)F 59314177 GPSZNABNCSPUGU-INIZCTEOSA-N 422.407 1.987 0 50 HDAA COc1ccccc1NC(=O)N1CCN(c2nc(C)cc(N3CCOCC3)n2)CC1 65362165 RBZGHJNZJDDZGF-UHFFFAOYSA-N 412.494 1.984 0 50 HDAA CC(C)S(=O)(=O)N1CCc2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2C1 77487044 XPYVVKCRVLEXMZ-INIZCTEOSA-N 402.538 1.240 0 50 HDAA CN1CCN(Cc2ccc(C(=O)N3CC[C@H](N(C)C)[C@H](CCCO)C3)cc2)CC1 91636647 YLHHJADORGZJAI-YADHBBJMSA-N 402.583 1.599 0 50 HDAA CC(C)n1nccc1NC(=O)[C@H](C)OC(=O)[C@H](C)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O 247993898 LSZLLHHNTDQOON-BYNSBNAKSA-N 402.451 1.674 0 50 HDAA CN1CCC2(CCN(C(=O)[C@H]3CCCCN3S(=O)(=O)c3ccccc3)CC2)C1=O 445261274 SOQQUKAWEDZKJL-GOSISDBHSA-N 419.547 1.701 0 50 HDAA O=C(c1ccc(N2CCC[C@@H](Oc3ccccc3)C2)nc1)N1CCS(=O)(=O)CC1 685908337 KZXHXKMCYKKAEO-LJQANCHMSA-N 415.515 2.000 0 50 HDAA C=CC(=O)NCc1ccc(C(=O)N(Cc2cccnc2)[C@@H]2CCS(=O)(=O)C2)cc1 735825306 VMDQPQGKXNYVEV-LJQANCHMSA-N 413.499 1.713 0 50 HDAA CC1=NO[C@@](C)(C(=O)N2CCOC3(CCN(C(=O)Cc4cccnc4)CC3)C2)C1 822324418 WSAFNQMYTNVXSE-HXUWFJFHSA-N 400.479 1.399 0 50 HDAA N[C@H]1CC[C@@H](n2cc(C(=O)N3C[C@@H](O)[C@H](Cc4ccnc5ccccc45)C3)nn2)CC1 1704300033 XQMYFAZSOPUNPH-QSNWEANLSA-N 420.517 1.944 0 50 HDAA CS(=O)(=O)N[C@@H]1CN2CCCC[C@@]2(C(=O)NCc2cnc3ccccc3c2)C1 1857684061 XTLNHWPTAFISSZ-PXNSSMCTSA-N 402.520 1.397 0 50 HDAA Cc1nc(N)cc(N2CCC(N3C[C@H](COc4ccc(F)cc4)OCC3=O)CC2)n1 1857701467 LDFHWVUTBJERAR-GOSISDBHSA-N 415.469 1.782 0 50 HDAA CN1C(=O)[C@H]2COC[C@@H]1CN(Cc1ccc(OCCCN3CCOCC3)cc1)C2 1875249625 KTILVXMCZSOJJX-UXHICEINSA-N 403.523 1.077 0 50 HDAA CC(C)[C@H](CN1CCOCC1)N=c1ccc2nnc(-c3ccc4c(c3)OCO4)n2[nH]1 1875265304 AZFGBBNBHQFQTM-INIZCTEOSA-N 410.478 1.711 0 50 HDAA CC(C)C(=O)Nc1ccc(S(=O)(=O)Nc2cccn(CC(=O)N(C)C)c2=O)cc1 1875343494 LCGUISDFHRMIKG-UHFFFAOYSA-N 420.491 1.332 0 50 HDAA COc1ccncc1S(=O)(=O)NC(=O)[C@H]1CC(=O)N([C@H](C)c2ccccc2)C1 2325819847 RWTLDAZIOMNNQJ-HIFRSBDPSA-N 403.460 1.505 0 50 HDAA O=C1CC[C@H](N2Cc3c(C(=O)Nc4cccc5c4CCNC5)cccc3C2=O)C(=O)N1 2325896070 QGSFNOJYEMQCGB-IBGZPJMESA-N 418.453 1.346 0 50 HDAA NCCCC[C@H](N[C@@H](CCc1ccccc1)C(=O)O)C(=O)N1CCC[C@H]1C(=O)O 3812863 RLAWWYSOJDYHDC-BZSNNMDCSA-N 405.495 1.235 0 50 HDAA biogenic,fda O=S1(=O)N=C(Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c2ccccc21 4385415 XAUIZAFIIFQVJJ-UHFFFAOYSA-N 407.473 1.269 0 50 HDAA CCN(CCn1cccn1)C(=O)C[C@H]1C(=O)NCCN1Cc1ccc(OC)c(C)c1 11839613 ZKAVWGIMVOZCLH-IBGZPJMESA-N 413.522 1.439 0 50 HDAA COc1ccccc1OC1CCN(c2nc3nonc3nc2N2CCOCC2)CC1 11844378 WVKRTBNMQMLZNB-UHFFFAOYSA-N 412.450 1.906 0 50 HDAA COc1cc(CN2CCNC(=O)[C@@H]2CC(=O)N(C)Cc2ccno2)cc(OC)c1 11934479 VCNZQHCUIGOJIN-SFHVURJKSA-N 402.451 1.041 0 50 HDAA CCN1CCC[C@@H]1CN(CC1CCN(CCOC)CC1)C(=O)CCn1cncn1 12072358 VZMQDFPKKDSVAK-HXUWFJFHSA-N 406.575 1.340 0 50 HDAA COc1ccc(F)c(CN2CCC[C@]3(CCN(C(=O)CN4CC(=O)NC4=O)C3)C2)c1 12584651 WCUOVXUJNQGLFH-NRFANRHFSA-N 418.469 1.201 0 50 HDAA CCc1ccc(C(=O)N[C@H]2C[C@H]3C(=O)N[C@H](Cc4ccc(O)cc4)C(=O)N3C2)cc1 14538246 RVQZMFQNLUUDAV-SXLOBPIMSA-N 407.470 1.395 0 50 HDAA COc1cccc([C@@]2(CC(=O)N(C)CCn3nc(C)cc3C)CC(=O)N(C)C2=O)c1 14998671 RSUPTCJTNDHPAO-JOCHJYFZSA-N 412.490 1.684 0 50 HDAA O=C(NCCc1nc2ccccc2s1)[C@H]1CNC[C@@H](C(=O)N2CCOCC2)C1 96141443 ZHNDVMDOGVXFHY-CABCVRRESA-N 402.520 1.040 0 50 HDAA CC(C)C[C@H](C(=O)OCCNC(=O)c1ccncc1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O 248265964 ODXNJWNSLKSXMP-KZNAEPCWSA-N 413.474 1.721 0 50 HDAA Cc1[nH]c2ccc(Cl)cc2c1CCNC(=O)c1cc2n(n1)C[C@@H](O)CNC2=O 426401616 CMZLDRQNPHGRSL-LBPRGKRZSA-N 401.854 1.403 0 50 HDAA Cc1ccc(C(=O)N[C@H](C(=O)N[C@@H]2CCN([C@@H](C(=O)O)C(C)C)C2=O)C(C)C)cc1 479006050 JMFDFUWGNWQBKV-FGTMMUONSA-N 417.506 1.576 0 50 HDAA CC(C)N1CCN(C2CCN(C(=O)C[C@H]3Oc4ccccc4NC3=O)CC2)CC1 677712138 OOPCHTCPPBJRGE-HXUWFJFHSA-N 400.523 1.793 0 50 HDAA C[C@@H]1CN(C(=O)Nc2ccc(N3CCN(S(C)(=O)=O)CC3)nc2)CCC1(F)F 685530078 KKALRRXCEDWLEB-CYBMUJFWSA-N 417.482 1.672 0 50 HDAA O=C(O)CC[C@]12CN(C(=O)CCc3cnccn3)C[C@@H]1CN(c1nccs1)C2 1772811661 WYFVMUZELGBVIS-AUUYWEPGSA-N 401.492 1.696 0 50 HDAA CC(=O)N1CCCc2cc(S(=O)(=O)N3CCC(=O)Nc4ccncc43)ccc21 1775961877 GLQFZNHLVUGFEG-UHFFFAOYSA-N 400.460 1.918 0 50 HDAA CCCn1cnnc1CNC(=O)[C@@]12CC[C@H](N3CCOCC3)C[C@H]1CCN(CC)C2 1857686242 MZYZEUYKOIOAQY-XQBPLPMBSA-N 418.586 1.517 0 50 HDAA COc1ccc(C(=O)N2C[C@@H](O)[C@H](Cc3cc(C)[nH]n3)C2)cc1N1CCOCC1 2100544917 BBNKLVFIXIGOTD-VQIMIIECSA-N 400.479 1.239 0 50 HDAA Cc1nonc1CNC(=O)C(=O)Nc1cccc(N2C(=O)CC3(CCCC3)C2=O)c1 2325744569 RXMQYRRASFBHSU-UHFFFAOYSA-N 411.418 1.457 0 50 HDAA CC(=O)NC[C@@H]1[C@@H](c2ccccc2)[C@]12CN(C(=O)c1onc3ncccc13)C[C@H]2O 2356164611 ZPSWIMFAGIFKKX-OZQHCQBDSA-N 406.442 1.576 0 50 HDAA CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(C)nc3C)c(=O)n2[C@@H]1c1ccccc1 648873 WOXNGQOHJNNGCH-DPWKNNTCSA-N 422.510 1.840 0 50 HDAA CCn1cc(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3cnn(CC)c3C)C2)c(C)n1 2802460 BCDKBDRRDLUJRG-MRXNPFEDSA-N 422.555 1.453 0 50 HDAA Cc1nc(N2CCN(C)CC2)cc(N2CCN(S(=O)(=O)c3ccccc3)CC2)n1 15671360 IIXGZVCAECIGNY-UHFFFAOYSA-N 416.551 1.048 0 50 HDAA Cc1ccc(-c2ccc(N3CCN(C)CC3)nn2)cc1S(=O)(=O)N1CCCC1 16652354 PFRVLFRSOKVELU-UHFFFAOYSA-N 401.536 1.988 0 50 HDAA CCN1CCN(C[C@H](O)COc2cccc(CN(C)Cc3nccn3C)c2)CC1 20598978 HEFPHMUOILSOGQ-FQEVSTJZSA-N 401.555 1.429 0 50 HDAA COc1ccccc1Cn1nccc1NC(=O)Cn1ncc(N2CCCC2)cc1=O 23250395 INRVOPNNJBLPRM-UHFFFAOYSA-N 408.462 1.736 0 50 HDAA CN(CCN1CCCCCC1)C(=O)[C@H]1CCC(=O)N(CCCN2CCCC2=O)C1 39420493 ZCXGXNKOTMKXCX-IBGZPJMESA-N 406.571 1.572 0 50 HDAA Cc1noc(C)c1C(=O)N1CCc2ccc(S(=O)(=O)NCC[C@H](C)O)cc2C1 77469982 SFVQMRIFIUNEKV-LBPRGKRZSA-N 407.492 1.539 0 50 HDAA C[C@H]1OCC[C@@]1(O)CNC(=O)CSCc1nc2sc3c(c2c(=O)[nH]1)CCCC3 225723763 MOWVUDVGXFPHLU-NSPYISDASA-N 423.560 1.753 0 50 HDAA CC[C@H](C)[C@@H](CO)NC(=O)C[C@H]1N=C(O)N(CCc2c[nH]c3ccccc23)C1=O 252533146 FZAYBNVCBWTPQM-MORSLUCNSA-N 400.479 1.749 0 50 HDAA C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)C(=O)CN1C(=O)CCOc2ccccc21 732068084 CRNAAZGXZRHCCN-AWEZNQCLSA-N 417.487 1.669 0 50 HDAA COc1ccc([C@@H]2[C@H](C(=O)N(C)C)C[C@@H]3CN(C4CCOCC4)CC(=O)N23)cc1 1857691606 RYVAYPDYVDZJBU-YFVAEKQCSA-N 401.507 1.536 0 50 HDAA Cn1ccc(C(=O)N2CCC3(CC2)CN(Cc2nccs2)C(=O)CCO3)cc1=O 1857710296 POIIDTZKTIHWET-UHFFFAOYSA-N 416.503 1.266 0 50 HDAA COc1cnc(N2C[C@@H]3[C@H](CNC(=O)c4ccc(C)nc4C)[C@H]4CC[C@]3(C2)O4)nc1 1857723719 SBWIXVPCPGVUTI-JZJXAQOMSA-N 409.490 1.911 0 50 HDAA COc1ccc(F)cc1C(=O)N1C[C@@H]2CCC[C@]2(CNC(=O)C[C@@H]2CCNC2=O)C1 1875334704 AFFCZVAYNGOWCO-DFFLPILJSA-N 417.481 1.719 0 50 HDAA C[C@H](CC(=O)N[C@@H](CNC(=O)c1csc2nccn12)C1CC1)c1cnn(C)c1 2325823976 KGTWOQHLLDXKTO-DOMZBBRYSA-N 400.508 1.948 0 50 HDAA CCCn1c(C)cn2c3c(=O)n(CC(=O)OCc4ccccc4)c(=O)n(C)c3nc12 4250977 WOIRCZLNNQHNMR-UHFFFAOYSA-N 409.446 1.611 0 50 HDAA COC(=O)c1c(OCc2ccncc2)cc(=O)n2c1CCN([C@@H]1CCSC1)CC2 14979811 MIZDBVHEVKVROX-MRXNPFEDSA-N 415.515 1.973 0 50 HDAA COCCNC(=O)c1cn([C@H]2CCCN(C(=O)c3cc(OC)ccc3OC)C2)nn1 14991459 WKSWQETWSQVXBQ-AWEZNQCLSA-N 417.466 1.149 0 50 HDAA COc1ccc(CCN(C)[C@H]2CCCN(C(=O)c3ccc(=O)n(C)n3)C2)cc1OC 15062089 FGWDDIZYBFYHBW-KRWDZBQOSA-N 414.506 1.577 0 50 HDAA COc1cccc(CN(C)CCc2cnn(C)c2)c1OC[C@@H](O)CN1CCOCC1 39478305 QTFZPCJCPQNWGG-FQEVSTJZSA-N 418.538 1.175 0 50 HDAA COc1cccc(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N(C)Cc3cc(C)[nH]n3)[C@@H]4C2=O)c1 77392243 FFJZFRAGMGELJM-VAWZGJIGSA-N 422.485 1.667 0 50 HDAA COc1ccc(Cc2nn3c(C4CCN(S(C)(=O)=O)CC4)nnc3s2)cc1 951726557 BFGRUNHDGBSDLC-UHFFFAOYSA-N 407.521 1.924 0 50 HDAA Cc1oc(-c2ccno2)cc1S(=O)(=O)N1C[C@@H]2CN(CC(C)C)C[C@@]2(CO)C1 1772813083 VDQNPPKUMBFLTB-KXBFYZLASA-N 409.508 1.814 0 50 HDAA O=C(CC1=CSC2=NCCCN12)N1C[C@H]2CN(Cc3ccccn3)C[C@]2(CO)C1 1772814386 WHVAXSDYNJLKKR-IIBYNOLFSA-N 413.547 1.374 0 50 HDAA Cc1nc(CN2CC[C@]3(C2)CN(C(=O)COc2cccc(C)c2C)CCO3)no1 1857683517 HXSQMSLEZMUHRN-NRFANRHFSA-N 400.479 1.877 0 50 HDAA Cc1cc(C)n(C)c(=O)c1C(=O)N1CC[C@H]2[C@@H]1CC(=O)N2CCc1cscn1 1857687422 XAMLOTQCCHGDGF-HOTGVXAUSA-N 400.504 1.517 0 50 HDAA Cc1ncnc(C)c1C(=O)N1CCC2(CCc3c(O)nc(N4CCOCC4)nc32)CC1 1857734293 HPSHCKFWOKCHIT-UHFFFAOYSA-N 424.505 1.546 0 50 HDAA C[C@H](NC(=O)c1cc(-c2ccco2)n2cnc(C(N)=O)c2n1)c1nnc2ccccn12 1875350188 DTKNUQGFLWRQMS-NSHDSACASA-N 416.401 1.622 0 50 HDAA CCCc1cc(C(=O)Nc2cccc3c2CN([C@@H]2CCC(=O)NC2=O)C3=O)nn1C 2325896321 WFJWTIXMMAJAOY-QGZVFWFLSA-N 409.446 1.386 0 50 HDAA CN1CCN(C(=O)c2ccccc2NC(=O)CN2C(=O)c3ccccc3C2=O)CC1 1210609 ZBFNRVKOCDWLIP-UHFFFAOYSA-N 406.442 1.309 0 50 HDAA CC(=O)Oc1ccccc1-c1nc2s/c(=C3\C(=O)N(C)c4ccccc43)c(=O)n2n1 1788631 APXJBTNTEYLXEE-MSUUIHNZSA-N 418.434 1.638 0 50 HDAA O=S(=O)(Nc1ncccn1)c1ccc(NC(=S)N2CCN3CCC[C@H]3C2)cc1 4388253 DYGACNZWDYIVKY-HNNXBMFYSA-N 418.548 1.754 0 50 HDAA COCCS(=O)(=O)c1ncc(CN2CC[C@H](COC)C2)n1Cc1ccccc1 12192189 NAPYZRXVXRGGGC-SFHVURJKSA-N 407.536 1.820 0 50 HDAA CN(Cc1n[nH]c2c1CCCC2)C(=O)C[C@@H]1C(=O)NCCN1C1Cc2ccccc2C1 12302155 QHBDAYKPJXOZIS-JOCHJYFZSA-N 421.545 1.605 0 50 HDAA O=C(C[C@@H]1C(=O)NCCN1Cc1ccccc1)NCCCn1ncc2ccccc21 12576037 TZUPAFVLYSGADO-OAQYLSRUSA-N 405.502 1.933 0 50 HDAA O=S(=O)(c1ccccc1Cl)N1CCN(c2ccc(-n3cccn3)nn2)CC1 13009267 OWQHRRPHWXOUSG-UHFFFAOYSA-N 404.883 1.827 0 50 HDAA Cc1ccc(CN2CCN(c3nc4nonc4nc3N3CCOCC3)CC2=O)cc1 14960795 MHDBPNKDGPDMOH-UHFFFAOYSA-N 409.450 1.007 0 50 HDAA C[C@H]1CN(S(=O)(=O)c2ccc(Br)c(S(C)(=O)=O)c2)C[C@@H](C)O1 16527288 DUPSHSIVABYJGY-AOOOYVTPSA-N 412.327 1.651 0 50 HDAA c1ccc([C@H]2N=C3NCN(CCN4CCOCC4)CN3c3nc4ccccc4n32)cc1 20101265 HEWANXLSNLGUSP-NRFANRHFSA-N 417.517 1.912 0 50 HDAA CN1CCN(C(=O)CN(c2ccc(OCc3ccccc3)cc2)S(C)(=O)=O)CC1 20567838 NMDACSPZZVJTQB-UHFFFAOYSA-N 417.531 1.806 0 50 HDAA Cc1ccncc1C(=O)N1CCC(N2CCC[C@@H](C(=O)N3CCOCC3)C2)CC1 71747581 BNJQAVVRBGVOAN-GOSISDBHSA-N 400.523 1.565 0 50 HDAA O=C(C(=O)N1CCC(N2CCC[C@H](C(=O)N3CCOCC3)C2)CC1)c1ccco1 71755390 XXDIDSHXUCUPPO-INIZCTEOSA-N 403.479 1.024 0 50 HDAA Cc1cc(N2CCN(C(=O)CC[C@@]3(CCC(=O)O)CCC(=O)N3)CC2)cc(C)n1 219393944 HXWAADYBOCQOHS-OAQYLSRUSA-N 402.495 1.641 0 50 HDAA Cc1cc(C)c2c(c1)CN(S(=O)(=O)c1cnc3c(c1)c(O)nc(=O)n3C)CC2 485959685 RPSUDBIVNTYEBZ-UHFFFAOYSA-N 400.460 1.398 0 50 HDAA COC(=O)Nc1cc(NC(=O)C(=O)NC2CCN(C[C@H]3CCCO3)CC2)ccc1F 743947736 UEELSZRWPXAHIC-OAHLLOKOSA-N 422.457 1.702 0 50 HDAA CC(=O)N1CCC(CC(=O)NCc2nc(C)no2)(N2Cc3ccccc3C2=O)CC1 952962792 KZADSJVZCSFROR-UHFFFAOYSA-N 411.462 1.421 0 50 HDAA O=C(NCC1CCN(S(=O)(=O)Cc2ccc(F)cc2F)CC1)[C@@H]1CCCO1 952970118 UDWGGOPHZYUOSF-KRWDZBQOSA-N 402.463 1.802 0 50 HDAA COCc1nnc(N2C[C@H](C(=O)NCc3ccc(C(=O)OC)cc3)CC2=O)s1 1857698724 GDODJPROJJLEQH-CYBMUJFWSA-N 404.448 1.140 0 50 HDAA C[C@@H](C(=O)N=c1nc2nccc(-c3ccccn3)n2[nH]1)c1nnc(O)c2ccccc12 1875251434 JZKUQJDDHKTNHN-GFCCVEGCSA-N 412.413 1.999 0 50 HDAA O=C(C[C@H]1COCCN1CC(F)(F)F)N1CCS(=O)(=O)C2(CCCCC2)C1 2325861360 NRJZAESTFFUPEY-AWEZNQCLSA-N 412.474 1.600 0 50 HDAA COc1ccc(/C=c2/sc3nc(=O)c(Cc4ccccc4)nn3c2=O)c(OC)c1 2533704 ITJZSCLNZMJTTK-WOJGMQOQSA-N 407.451 1.667 0 50 HDAA CCn1cc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3cn(CC)nc3C)C2)cn1 2809293 KRQKAZYAIHRIBQ-MRXNPFEDSA-N 408.528 1.145 0 50 HDAA CC(C)N(C)Cc1nnnn1CC(=O)N1CCC[C@@H](COc2ccccc2F)C1 15067769 AZKUCQFFJVRQLS-MRXNPFEDSA-N 404.490 1.970 0 50 HDAA COc1ccccc1N1C(=O)C[C@H](N2CCN(Cc3ccc4c(c3)OCO4)CC2)C1=O 19536967 XVWOQMWELAODPL-SFHVURJKSA-N 423.469 1.874 0 50 HDAA Cc1n[nH]c(C)c1CCN(C)C(=O)C[C@@H]1C(=O)NCCN1Cc1ccc(F)cc1 19731371 OSZCQASBXHYGPN-LJQANCHMSA-N 401.486 1.557 0 50 HDAA CC(=O)CCC(=O)N1CCC[C@H](N2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 23360124 GCGLDXRAFGWBIH-IBGZPJMESA-N 401.507 1.893 0 50 HDAA O=C(NCc1cccnc1)[C@@H]1CCCN(C2CCN(S(=O)(=O)C3CC3)CC2)C1 82115150 SPHQMGCNUASYKG-QGZVFWFLSA-N 406.552 1.366 0 50 HDAA CCNS(=O)(=O)c1ccc(C(=O)Nc2nc(-c3c[nH]c(C(N)=O)c3)cs2)cc1 139828109 KZWKQQUUYJJKOJ-UHFFFAOYSA-N 419.488 1.788 0 50 HDAA COC(=O)[C@@H](NC(=O)CSc1nnc(-c2cccs2)n1C)c1ccn(C)n1 170605743 LQKDTAFHYVGTFL-ZDUSSCGKSA-N 406.493 1.400 0 50 HDAA O=C(C[C@H]1N=C(O)N(Cc2ccc3c(c2)OCO3)C1=O)NCCc1nccs1 252518113 AAXBPFRZEMAWMQ-GFCCVEGCSA-N 402.432 1.246 0 50 HDAA COC[C@@H]1CN(C(=O)c2cccc(S(=O)(=O)Nc3cc(C)on3)c2)C[C@@H](C)O1 440177636 JADODRBEWJKRLL-HIFRSBDPSA-N 409.464 1.660 0 50 HDAA CCNS(=O)(=O)c1ccc(C)c(C(=O)N2CCC([C@H](O)c3nccn3C)CC2)c1 772573701 IJLCQRPDQPDCNA-SFHVURJKSA-N 420.535 1.613 0 50 HDAA Cn1c(=O)oc2cc(S(=O)(=O)N3CCC[C@@H](OCc4ccccn4)C3)ccc21 952986808 ILVKJLHYXNVXPR-OAHLLOKOSA-N 403.460 1.896 0 50 HDAA O=C(Cc1csc(-c2nc[nH]n2)n1)N1CC[C@@H]2CN(C(=O)C(F)(F)F)C[C@H]2C1 1449481415 VHYIMPNYAQRCCA-NXEZZACHSA-N 414.413 1.340 0 50 HDAA C[C@@]1(NC(=O)c2cncc(F)c2)CCOC2(CCN(CCn3ccnc3)CC2)[C@H]1O 1772706263 WDDPWKOORRXEHB-VQTJNVASSA-N 417.485 1.222 0 50 HDAA COCCn1nnc([C@H]2CN(C(=O)c3c[nH]nc3-c3cccc(F)c3)CCO2)n1 1857736672 WBBDIMNIDWOEKM-OAHLLOKOSA-N 401.402 1.062 0 50 HDAA CCCn1cnnc1CNC(=O)[C@H]1OCC(=O)N(C2CC2)[C@@H]1c1ccc(OC)cc1 2100536920 FMFBOVNGLOSNLN-UXHICEINSA-N 413.478 1.444 0 50 HDAA O=C(C[C@@H]1CCC[C@H](C2CC2)O1)NS(=O)(=O)[C@@H]1CS(=O)(=O)c2ccccc21 2325873070 XVEZZPPWJMYGBK-YSVLISHTSA-N 413.517 1.699 0 50 HDAA Cc1c(C(=O)N2C[C@@H]3CC[C@H](NC(=O)c4c[nH]c(=N)s4)[C@H]3C2)sc2nccn12 2325875779 BSICORXJVBNEHQ-SRVKXCTJSA-N 416.532 1.854 0 50 HDAA CC(C)(C)NS(=O)(=O)c1ccc(NC(=O)CN2C(=O)c3ccccc3C2=O)cc1 789976 OIXJCPOKNJWCPK-UHFFFAOYSA-N 415.471 1.998 0 50 HDAA COCCC(=O)N1CCC(Oc2ccc(C(=O)NCCc3cnn(C)c3)cc2)CC1 12714633 BGYZZIKAWIZRGW-UHFFFAOYSA-N 414.506 1.799 0 50 HDAA CCn1nc(C(=O)NCc2ccc(OC)cc2)c2c1CCN(C(=O)c1ccnn1C)C2 14745858 LKCXHXGFSCMAJQ-UHFFFAOYSA-N 422.489 1.774 0 50 HDAA CSc1cccc(CN2CCN3C(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@H]3C2)c1 14745915 HZAHQWGAGCQMNL-VQTJNVASSA-N 411.527 1.868 0 50 HDAA CN1CCN(C(=O)c2cn(CCNC(=O)c3cccc(C(F)(F)F)c3)nn2)CC1 19839504 OMJPOMVRTQTADF-UHFFFAOYSA-N 410.400 1.115 0 50 HDAA CCS(=O)(=O)c1ncc(CN2CCN(c3ccc(F)cc3)CC2)n1CCOC 20450331 ZZDPTKATGMNDOL-UHFFFAOYSA-N 410.515 1.784 0 50 HDAA CCC(=O)Nc1cccc(C(=O)NCC[C@H]2CN(c3cnn(C)c(=O)c3)CCO2)c1 55575649 DAJROYTUYDKAHV-SFHVURJKSA-N 413.478 1.154 0 50 HDAA CCc1nnc(CN(C)C(=O)[C@@H]2[C@@H]3C=C[C@@]4(CN(c5ccc(F)cc5)C(=O)[C@H]24)O3)o1 77456611 ADBUETMCDNZLBO-NFQYFHPZSA-N 412.421 1.716 0 50 HDAA C[C@H](CNC(=O)[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)O)NC(=O)[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)O 168199617 UVEYHRIJZVRJOR-IQUAIQRZSA-N 406.479 1.101 0 50 HDAA CCOc1ccc(S(=O)(=O)N[C@H]2CCCC[C@H]2NS(C)(=O)=O)cc1OCC 170599215 IINQMHHARDCZHX-CABCVRRESA-N 420.553 1.623 0 50 HDAA CC(C)NC(=O)c1cn([C@H]2CC[C@@H](NC(=O)Cc3ccc4c(c3)OCO4)CC2)nn1 248004720 PDXWMONKCGIISO-IYBDPMFKSA-N 413.478 1.988 0 50 HDAA COc1cccc([C@@H](C(=O)O)N2CCCN(S(=O)(=O)N3CCCCC3)CC2)c1 1506400218 VGVPRGRJZWWVRP-SFHVURJKSA-N 411.524 1.559 0 50 HDAA COc1ccc(S(=O)(=O)N2CCN(C(=O)c3nc4ccccn4c3C)CC2)cc1 1857667265 MVWJOFMCMFDAFG-UHFFFAOYSA-N 414.487 1.798 0 50 HDAA Cc1ccc2cc(CN3C[C@H]4COC[C@@H](C3)C(=O)N4C)c(N3CCOCC3)nc2c1 1875247256 HSBRLUPANICCKQ-UXHICEINSA-N 410.518 1.669 0 50 HDAA Cc1nc(NC(=O)c2ccn(CCn3cccn3)n2)sc1-c1nnc(S)n1C 1875353372 QJKAVBAHWRIEDY-UHFFFAOYSA-N 415.508 1.881 0 50 HDAA C=CC(=O)N1CCC(C(=O)N(C)CC(=O)N2c3ccccc3NC(=O)C[C@H]2C)CC1 1875370225 GPRNVZUOJAKLHS-OAHLLOKOSA-N 412.490 1.633 0 50 HDAA C[C@@H](c1nc(=N)[nH]c(=Nc2ccccc2)[nH]1)N1CCC(C[C@@H]2CC(=O)NC2=O)CC1 2325877984 AXJUEJZBLSAQOF-DZGCQCFKSA-N 409.494 1.275 0 50 HDAA CCOC(=O)N1CCN(C(=O)CN(CC)S(=O)(=O)c2ccc(OC)cc2)CC1 4868098 JHSQTOKDAXHEDK-UHFFFAOYSA-N 413.496 1.007 0 50 HDAA COc1cccc(CNCCOc2ccccc2)c1OC[C@H](O)CN1CCOCC1 14952622 CHSJWGKHEWFOMS-HXUWFJFHSA-N 416.518 1.936 0 50 HDAA CN(CCn1cc(C(=O)N2CCSCC2)nn1)Cc1ccc2c(c1)OCCO2 19789763 YAJJRQCQFYIUSZ-UHFFFAOYSA-N 403.508 1.370 0 50 HDAA O=C(C[C@@H]1C(=O)NCCN1Cc1ccccn1)NC1CCN(c2ccccc2)CC1 39519214 ACGYOTGYMZORCI-OAQYLSRUSA-N 407.518 1.557 0 50 HDAA CCOC(=O)N1CCN(C(=O)Cn2nc(-c3ccc(F)cc3OC)ccc2=O)CC1 44893283 TXSHRWDGTSQPQC-UHFFFAOYSA-N 418.425 1.359 0 50 HDAA Cc1[nH]c2ccccc2c1CCNC(=O)[C@H]1CCC(=O)N(CCN2CCOCC2)C1 46018859 HCEURLCIYXUPGL-SFHVURJKSA-N 412.534 1.706 0 50 HDAA CN1CCN(c2ccc(NC(=O)CN(c3ccccc3F)S(C)(=O)=O)cc2)CC1 65363754 MJTWBKNDJQAQFL-UHFFFAOYSA-N 420.510 1.982 0 50 HDAA COc1cccc(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N(C)Cc3nc(C)no3)[C@@H]4C2=O)c1 77355401 WPIVLBSQVNPFIX-VGYLUTEMSA-N 424.457 1.327 0 50 HDAA CC(C)(C)OC(=O)N1CCN(c2ccc(B(O)OC(C)(C)C(C)(C)O)cc2)CC1 169917545 WSICOZAQAGTIGK-UHFFFAOYSA-N 406.332 1.997 0 50 HDAA O=C(C[C@H]1N=C(O)N(Cc2ccc3c(c2)OCO3)C1=O)N[C@@H](CO)c1ccccc1 252533074 FURIWUYZBQLDDN-CVEARBPZSA-N 411.414 1.280 0 50 HDAA CCc1ocnc1C(=O)NC[C@@H]1CN(CC2CCN(CC3CC3)CC2)C(=O)CO1 299799122 PRDXILLLLMAPFR-QGZVFWFLSA-N 404.511 1.316 0 50 HDAA O=c1cc(N2CCC(O)CC2)cnn1[C@H]1CCCN(Cc2cccc3c[nH]nc23)C1 328606957 UFRBWCVPQMAVAO-SFHVURJKSA-N 408.506 1.918 0 50 HDAA NC(=O)[C@@H]1CCCN1C(=O)Cc1sc(N2CCOCC2)nc1-c1ccccc1 1453432967 OZLMUJFODDLWGP-HNNXBMFYSA-N 400.504 1.666 0 50 HDAA Cc1ccc(C)c([C@H](C(=O)O)N2CCCN(S(=O)(=O)N3CCOCC3)CC2)c1 1506405899 XNWBGMMEMOEZTG-GOSISDBHSA-N 411.524 1.014 0 50 HDAA CCc1noc(NC(=O)Cn2nnnc2[C@H](c2ccccc2)N2CCOCC2)c1C 1529124960 BGBAPDZWDKZFMQ-SFHVURJKSA-N 411.466 1.592 0 50 HDAA COc1ccc([C@@H]2[C@@H](CO)OCCN2C(=O)c2cn(-c3ccccc3)nn2)cc1OC 1529154179 YUSJESFGWRUYHG-NHCUHLMSSA-N 424.457 1.859 0 50 HDAA Cc1cc(N2CCN(c3nc(N)c4cnn(C)c4n3)CC2)nc(-c2ccccc2O)n1 1529171847 DUCXWNVUGNNRTQ-UHFFFAOYSA-N 417.477 1.743 0 50 HDAA Cc1ccncc1C(=O)NC[C@H]1CN(CC2CCN(CC3CC3)CC2)C(=O)CO1 1857680838 WCKPMBHDQXYIIJ-IBGZPJMESA-N 400.523 1.469 0 50 HDAA COCC1(C(=O)N2CCC(N3C[C@@H](COc4ccc(F)cc4)OCC3=O)CC2)CC1 1857681666 INVLILKFQOCMHQ-IBGZPJMESA-N 420.481 1.850 0 50 HDAA O=C(Cc1ccc(F)cc1)NC[C@@H]1CN(CC2CCN(CC3CC3)CC2)C(=O)CO1 1857693967 UZRSRIREVZKASN-OAQYLSRUSA-N 417.525 1.834 0 50 HDAA NC(=O)c1cncc(N2CCC[C@@]3(CCc4c(O)nc(-c5cccnc5)nc43)C2)n1 1857713733 FOWFZSMJAMVWIH-OAQYLSRUSA-N 403.446 1.618 0 50 HDAA COc1ccnc(-c2cn(-c3ccc4c(c3)C(=O)N([C@@H]3CCC(=O)NC3=O)C4)nn2)c1 1875355246 DZFCSJMWVMUNRI-GOSISDBHSA-N 418.413 1.099 0 50 HDAA CC(C)N1C(=O)c2ccc(C(=O)NN3CC[C@H](C(F)(F)F)C3)cc2S1(=O)=O 2325727218 RKXFMIZYJIJIKK-NSHDSACASA-N 405.398 1.769 0 50 HDAA COCCNC(=O)c1ccc2c(=O)n(CCCN3CCCC3=O)c(S)nc2c1 2970717 ZZOOBZYFZJNQAB-UHFFFAOYSA-N 404.492 1.074 0 50 HDAA O=C(NC[C@@H]1CCCO1)c1ccc2c(c1)C(=O)N(N1C(=O)c3ccccc3C1=O)C2=O 9720832 AODWRDVWWUWMMS-ZDUSSCGKSA-N 419.393 1.403 0 50 HDAA C[C@@H](OCc1ccccc1)[C@@H]1NC(=O)[C@H]2CN(Cc3ccccc3F)CCN2C1=O 14753290 GJFJVDBTKSZBCX-HBGVWJBISA-N 411.477 1.942 0 50 HDAA Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CC=CC[C@H]3C(=O)O)CC2)cc1C 17087361 STFKPANHYKMSDT-QZTJIDSGSA-N 406.504 1.803 0 50 HDAA Cc1ccc(CCN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N(C)Cc3cnccn3)[C@@H]4C2=O)cc1 77426881 LFSIAGINXWKLRJ-JCUDRXCFSA-N 418.497 1.768 0 50 HDAA CCN(Cc1nc(C)no1)C(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(Cc4cccnc4)C(=O)[C@@H]13)O2 77437148 IEMHLABCUZURPL-JWVYWZTKSA-N 409.446 1.104 0 50 HDAA CC(=O)O[C@H]1[C@@H]2OC(=O)[C@@H]3c4ccoc4C[C@@H]([C@H]32)[C@@]2(C)[C@@H](O)CCC(C)(C)[C@]12O 103240285 WIKUZWCBCFNRHH-ZCQRYNMDSA-N 404.459 1.941 0 50 HDAA COC(=O)C[C@H](c1cc(OC)c(O)c(OC)c1)c1c(O)n2ccccc2nc1=O 205957533 AFSAQQUSCGCEHN-GFCCVEGCSA-N 400.387 1.818 0 50 HDAA COc1ccc(-c2cc(C(=O)N[C@H](CO)C(C)C)nn2[C@H]2CCS(=O)(=O)C2)cc1 252509973 YZJAGNYACVKQQR-MAUKXSAKSA-N 421.519 1.665 0 50 HDAA Cc1nc(CN2CCN([C@H](C)C(=O)N3CCN(c4ncccn4)CC3)CC2)cs1 490329202 UTMDECYZZHGBBA-MRXNPFEDSA-N 415.567 1.096 0 50 HDAA O=C(O)[C@H]1CN(S(=O)(=O)c2ccc(-c3cc(C(F)(F)F)n[nH]3)o2)CC[C@H]1O 1704342042 CWDVPSLYXPYFRF-IONNQARKSA-N 409.342 1.145 0 50 HDAA Cc1ccc2c(c1)C(=O)NCCN(C[C@H]1CCC(=O)O1)CCCC(=O)NCCO2 1875239860 IZAWCJFMBUQSJG-MRXNPFEDSA-N 403.479 1.021 0 50 HDAA CC(C)[C@@H]1NC(=O)[C@H]2CN(S(=O)(=O)c3cccc4ccccc34)CCN2C1=O 14733288 FIXWQJCAOBKSTM-AEFFLSMTSA-N 401.488 1.196 0 50 HDAA C[C@H]1CN(S(=O)(=O)c2ccc(N3C[C@@H](C)O[C@H](C)C3)c3nonc23)C[C@@H](C)O1 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Cc1noc(COCC(=O)N2CC[C@@](c3nc(C4CC4)no3)(C(F)(F)F)C2)n1 952891607 AOQHZHMVSBWVNY-OAHLLOKOSA-N 401.345 1.888 0 50 HDAA O=C(CCCn1cncn1)N1CCC(N(C2CC2)S(=O)(=O)c2ccccc2)CC1 952985288 UUUHRKAHDDYDIH-UHFFFAOYSA-N 417.535 1.903 0 50 HDAA CC(=O)N[C@@]1(C)CC2(CCN(C(=O)CSc3nc(C)cs3)CC2)OC[C@@H]1O 1704326071 VPGJEIXUCLVCEH-YOEHRIQHSA-N 413.565 1.581 0 50 HDAA COCC(=O)N[C@@]1(C)CC2(CCN(Cc3c(C)nn(C)c3Cl)CC2)OC[C@@H]1O 1772707696 XNLAOPGINKNGAR-YJBOKZPZSA-N 414.934 1.019 0 50 HDAA Cc1c(C(=O)N2C[C@H]3CN(C(=O)CC(C)C)C[C@@]3(CO)C2)[nH]c2c1C(=O)CCC2 1772813365 YPPGJOSIRXSDNR-QRQCRPRQSA-N 401.507 1.781 0 50 HDAA COc1ccc([C@@H]2[C@H](C(=O)N3CCC(CO)CC3)C[C@@H]3CN(C)CC(=O)N23)cc1 1857685290 GYFSZZMKSMLAJY-YFVAEKQCSA-N 401.507 1.130 0 50 HDAA OCC1(CO)CC(n2cnc3c(N4CCC[C@H](N5CCCC5)CC4)ncnc32)C1 1875269297 ULLJIBRQRAGVIQ-INIZCTEOSA-N 400.527 1.587 0 50 HDAA COc1ccc([C@H]2NC(=O)CO[C@@H]2C(=O)NCCc2scnc2C)cc1OC 1940196368 GGVGHELQUBVUQU-MSOLQXFVSA-N 405.476 1.384 0 50 HDAA O=C1CC[C@H](N2Cc3ccc(C(=O)N4CC(Oc5ccccc5)C4)cc3C2=O)C(=O)N1 2325886800 JXIBGMJSUPQIDR-IBGZPJMESA-N 419.437 1.351 0 50 HDAA O=C(NCCCn1ccnc1)C(F)(F)C(F)(F)C(=O)NCCCn1ccnc1 4014870 MMIXQKNAXKKLDW-UHFFFAOYSA-N 404.368 1.063 0 50 HDAA Cc1cn2c3c(=O)n(CCN4CCCCC4)c(=O)n(C)c3nc2n1C[C@H]1CCCO1 4314246 MHZDUMOBXNXZTB-MRXNPFEDSA-N 414.510 1.123 0 50 HDAA COc1cc(CNCCc2ccccn2)ccc1OC[C@H](O)CN1CCOCC1 12308155 OFGNIVSQTSYCFB-HXUWFJFHSA-N 401.507 1.494 0 50 HDAA CCOC(=O)C1=C(CN2CCOCC2)NC(=O)N[C@@H]1c1ccc(OC)c(COC)c1 13960833 LRCIQPBFFLHDFG-LJQANCHMSA-N 419.478 1.345 0 50 HDAA C[C@@H]1C[C@@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO 33988377 WXURHACBFYSXBI-AYRWPWOISA-N 410.457 1.844 0 50 HDAA Cc1ccc([C@H](NC(=O)c2cn(CCN3CCOCC3)nn2)c2ccncc2)cc1 67491365 HUZMJQUJGWLMPO-NRFANRHFSA-N 406.490 1.833 0 50 HDAA Cc1nc(CN(C)C(=O)[C@H]2[C@@H]3C=C[C@@]4(CN(Cc5cccnc5)C(=O)[C@@H]24)O3)cs1 77354813 COGOACLOJOBXQR-UGNRZPKXSA-N 410.499 1.787 0 50 HDAA COc1ccc(C(=O)N[C@H](C)c2nncn2C)cc1OC1CCN(C(C)=O)CC1 95497341 ZFGPMEZZVAUPLG-CYBMUJFWSA-N 401.467 1.704 0 50 HDAA CC1CCN(S(=O)(=O)c2ccccc2S(=O)(=O)N(C)c2ccn(C)n2)CC1 253428493 APMKJRQEZSNQAE-UHFFFAOYSA-N 412.537 1.666 0 50 HDAA Nc1ncc(CN2CCC(N3C[C@@H](COc4ccc(F)cc4)OCC3=O)CC2)cn1 299790452 BVVDDIDJPVBBHE-IBGZPJMESA-N 415.469 1.469 0 50 HDAA CCN(C)C(=O)CN1CCC(N2C[C@H](COc3ccc(F)cc3)OCC2=O)CC1 299794294 INQHQQKOVYPKIU-LJQANCHMSA-N 407.486 1.375 0 50 HDAA Cc1cccnc1C(=O)NC[C@@H]1CN(CC2CCN(CC3CC3)CC2)C(=O)CO1 299797252 QQKFUNBQZOLKOW-LJQANCHMSA-N 400.523 1.469 0 50 HDAA CNc1ccnc(N2CC[C@@]3(CCCN(Cc4cccc(OC)c4OC)C3=O)C2)n1 426396343 CWSFSWKZGWAXMU-QFIPXVFZSA-N 411.506 2.555 0 50 HDAA O=C(C[C@@H]1C(=O)NCCN1Cc1ccccc1)NCc1noc(-c2cccs2)n1 827801684 CNNYRPSLDBGYFH-OAHLLOKOSA-N 411.487 1.805 0 50 HDAA Cc1nnc(SCC(=O)Nc2c(C)nn([C@H]3CCS(=O)(=O)C3)c2C)s1 1529099194 STQBVZKWOHKKFG-NSHDSACASA-N 401.539 1.750 0 50 HDAA O=C(N[C@@H]1CCCCCN(C(=O)[C@H]2CCCS2(=O)=O)C1)[C@H]1CNc2ccccc21 1875344185 GWPPCVXPZNFVPK-HHXXYDBFSA-N 419.547 1.660 0 50 HDAA CC[C@@H]1C(=O)NCCCN1C(=O)CCc1cn([C@H](Cc2ccccc2)C(=O)O)nn1 1875355140 BEIQRBFATDKROI-QZTJIDSGSA-N 413.478 1.206 0 50 HDAA COc1cc(Br)ccc1CC(=O)Nc1cnc(N2CCNCC2)nc1 2325853983 JVKYIXDECBXIRY-UHFFFAOYSA-N 406.284 1.839 0 50 HDAA Cn1c(Cc2cccs2)nnc1SCC(=O)Nc1ccc(S(N)(=O)=O)cc1 2865816 HZRGOXGPBYORJE-UHFFFAOYSA-N 423.545 1.846 0 50 HDAA C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CCC(=O)OCc1ccccc1)C(N)=O 4574767 GBWLWWKUNXXPCZ-DZGCQCFKSA-N 407.467 1.393 0 50 HDAA COC(=O)CN(C)C(=O)c1ccc(OC2CCN(S(C)(=O)=O)CC2)c(Cl)c1 12385665 JXPNHDSJAGDBHW-UHFFFAOYSA-N 418.899 1.388 0 50 HDAA CCn1cc(CNC(=O)C[C@H]2C(=O)NCCN2Cc2ccc(OC)cc2F)cn1 12441650 MKNRZVTVIAZMGL-SFHVURJKSA-N 403.458 1.058 0 50 HDAA CCOC(=O)N1CCC(NC(=O)C[C@@H]2C(=O)NCCN2CCc2ccccc2)CC1 12570506 JJLHKJQGDFBVNF-LJQANCHMSA-N 416.522 1.157 0 50 HDAA C[C@H]1CN(S(=O)(=O)c2ccc(N3C[C@@H](C)O[C@H](C)C3)c3nonc23)C[C@H](C)O1 17088543 OTIHHZRHNUFEGB-MQYQWHSLSA-N 410.496 1.634 0 50 HDAA COC(=O)[C@H](CSCc1ccccc1)NC(=O)CSc1nc(N)cc(=O)[nH]1 18007020 JEFSMOVTEBFFFR-LBPRGKRZSA-N 408.505 1.035 0 50 HDAA CCN1CCN(C[C@@H](O)COc2cccc(CN(C)Cc3nccn3C)c2)CC1 20598977 HEFPHMUOILSOGQ-HXUWFJFHSA-N 401.555 1.429 0 50 HDAA CCCCN1CCN([C@H](C(=O)NCc2cnc(C)cn2)c2ccccc2)C(=O)C1=O 77536482 MCYCPXDLFQCBBI-IBGZPJMESA-N 409.490 1.613 0 50 HDAA CC[S@](=O)[C@H]1CCCC[C@H]1NC(=O)c1ccc(OC)c(S(=O)(=O)N(C)C)c1 225246579 FHXDNQGJYFWEMF-NSSJMGKWSA-N 416.565 1.755 0 50 HDAA COc1ccc(S(=O)(=O)NC[C@H]2CC[C@H](C(=O)N3CCN(C)CC3)CC2)cc1 245254621 BEIQBSSPDGBMLF-QAQDUYKDSA-N 409.552 1.554 0 50 HDAA CCCS(=O)(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCCC[C@@H]2CN)cc1F 497355533 YEPOPTXBSHXYQE-IUODEOHRSA-N 407.533 1.773 0 50 HDAA COc1cc(Cl)c(S(=O)(=O)N2CCN(CCn3cncn3)CC2)cc1Cl 1506415260 AJSDGPVSYULOEK-UHFFFAOYSA-N 420.322 1.600 0 50 HDAA Cc1cc(C)n(CCc2nnc(NC(=O)Cc3ccc(-n4cnnn4)cc3)s2)n1 2356147835 SBKSPTXLDHEFIN-UHFFFAOYSA-N 409.479 1.751 0 50 HDAA O=C1NCCN(Cc2cccc(F)c2)[C@H]1CC(=O)N1CCN(C2CCCC2)CC1 12438965 KIAOWDLWCWWRDH-FQEVSTJZSA-N 402.514 1.603 0 50 HDAA CN(C)CCN(C)C(=O)c1cccc(OC2CCN(C(=O)[C@@H]3CCCO3)CC2)c1 14948010 GFPUKFUHXLZMOJ-FQEVSTJZSA-N 403.523 1.869 0 50 HDAA COc1cccc(N2CCN([C@H]3CN(C(=O)Nc4ccccc4C)C[C@@H]3O)CC2=O)c1 15062122 KMYZPYZXGNICPG-SFTDATJTSA-N 424.501 1.929 0 50 HDAA CCN1CCN(C[C@@H](O)COc2cccc(CNCc3cnn(CC)c3)c2)CC1 22852424 NEURCJMYKUUHSS-OAQYLSRUSA-N 401.555 1.570 0 50 HDAA Cn1nc(C(=O)NCc2ccc(F)cc2)c2c1CC[C@@H](NCCN1CCOCC1)C2 23153440 QVFCUBUJFNSPIU-GOSISDBHSA-N 415.513 1.268 0 50 HDAA Cc1nc(N2CCOCC2)cc(N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)n1 33318417 XBPBVWYPIAIZSQ-UHFFFAOYSA-N 421.498 1.272 0 50 HDAA O=C1CN(C(=O)CCCC(=O)N2CCN(c3nsc4ccccc34)CC2)CCN1 49545203 NSXJXNGZWOSTAR-UHFFFAOYSA-N 415.519 1.074 0 50 HDAA O=C(NCCc1ccccc1)[C@@H]1CCCN(C2CCN(C(=O)c3ncn[nH]3)CC2)C1 82121660 ALCKLVCREWILDS-GOSISDBHSA-N 410.522 1.480 0 50 HDAA Cc1ccc(-c2nn3ccn(Cc4nc(-c5cnccn5)no4)c(=O)c3c2CO)cc1 263617853 QBABNDFMSWKDBN-UHFFFAOYSA-N 415.413 1.852 0 50 HDAA COCC(=O)N[C@@]1(C)CC2(CCN(Cc3nc4ccccc4n3C)CC2)OC[C@@H]1O 1772701246 JVPLQKOKMBFFDI-RXVVDRJESA-N 416.522 1.210 0 50 HDAA CCn1cc(CN2C[C@H]3CN(CC4COCCOC4)C[C@]3(CCC(=O)O)C2)cn1 1772817916 JFWUKNYAUDVNDD-FPOVZHCZSA-N 406.527 1.165 0 50 HDAA CCc1nnc(N2C[C@H](C(=O)NC3CCN(c4cccnn4)CC3)CC2=O)s1 1857723070 VXQOZXVLERHXII-GFCCVEGCSA-N 401.496 1.029 0 50 HDAA CN([C@H]1CCCN(C(=O)c2cc3c(nc2O)CC(C)(C)CC3=O)C1)S(C)(=O)=O 1875260562 SDMJKNVRYUXYKO-LBPRGKRZSA-N 409.508 1.438 0 50 HDAA C=CC(=O)N[C@H]1CCCO[C@H]1C1CCN(C(=O)C(=O)NCc2ccc(F)cc2)CC1 1875383578 ZTRCQCXFPPHLMS-ICSRJNTNSA-N 417.481 1.530 0 50 HDAA C=CC(=O)N(C)c1ccc(C(=O)N2CCc3nc(NS(C)(=O)=O)sc3C2)cc1 2325889736 OLUDILDPNLXSDA-UHFFFAOYSA-N 420.516 1.862 0 50 HDAA Cc1nc(NCc2ccc3c(c2)C(=O)N([C@@H]2CCC(=O)NC2=O)C3)c2cnn(C)c2n1 2325898206 WWHMOBBGOHEVFM-MRXNPFEDSA-N 419.445 1.045 0 50 HDAA CCOc1ccccc1CN1CCC(n2cc(C(=O)NCCN(C)C)nn2)CC1 15004705 JZOJBXGXKNALIH-UHFFFAOYSA-N 400.527 1.805 0 50 HDAA O=S(=O)(c1ccccc1)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 17082373 MZFTWSBWQAINEM-UHFFFAOYSA-N 402.444 1.660 0 50 HDAA O=C1CN(C(=O)c2ccc3nc(NS(=O)(=O)c4ccccc4)sc3c2)CCN1 32071655 NOSGCDOXKKEDFA-UHFFFAOYSA-N 416.484 1.669 0 50 HDAA O=C(CC[C@H]1CCCN(C(=O)Cc2c[nH]c(=O)[nH]c2=O)C1)Nc1ccccc1F 95512385 KIJBUPHEWHZFTG-CYBMUJFWSA-N 402.426 1.402 0 50 HDAA O=C(CN1C(=O)CNC1=O)N1CC[C@]2(CCCN(CCC3CCCCC3)C2=O)C1 426445620 NXHCPYFDTLACHL-OAQYLSRUSA-N 404.511 1.350 0 50 HDAA Cc1nc(CN2CCN([C@@H](C)C(=O)N3CCN(c4ncccn4)CC3)CC2)cs1 490329201 UTMDECYZZHGBBA-INIZCTEOSA-N 415.567 1.096 0 50 HDAA N[C@H]1CC[C@@H](n2cc(C(=O)NC34C[C@@H]5C[C@H](C3)CC(n3ncnn3)(C5)C4)nn2)CC1 827523354 VQOQXLSIUFLHDZ-QLTQBXOZSA-N 411.514 1.185 0 50 HDAA O=C(NC12C[C@@H]3C[C@H](C1)CC(n1ncnn1)(C3)C2)[C@@H](Cc1ccccc1)n1cnnn1 827654762 GSEREPFFZJRPIM-GMWOYJHMSA-N 419.493 1.308 0 50 HDAA CC(=O)N1CCCN(C(=O)CN2CCCC2)CCNC(=O)C[C@@H]1c1ccccc1 952868277 IGJRQWXQVNERTH-HXUWFJFHSA-N 400.523 1.411 0 50 HDAA Cc1nc(C(=O)N2CCc3nc(N(C)C)nc(N4CCC(O)CC4)c3C2)cs1 952975882 LTCRFINYROUWOP-UHFFFAOYSA-N 402.524 1.467 0 50 HDAA CNC(=O)c1ccc(S(=O)(=O)N[C@@H]2CC(=O)N(c3cccc(Cl)c3)C2)cc1 1506400125 IEGMCMBHTFCVKC-CQSZACIVSA-N 407.879 1.783 0 50 HDAA CC(C)Sc1nnc(NC(=O)C2CCN([C@@H]3CCS(=O)(=O)C3)CC2)s1 1506408541 MXWNCBPRZYZQID-GFCCVEGCSA-N 404.583 1.876 0 50 HDAA COC(C)(C)C(=O)N1[C@H]2CC[C@@H]1CNC(=O)c1ccc(C)c(c1)OCCNC(=O)C2 1857739850 VWFRHCRGQMJJPJ-DLBZAZTESA-N 417.506 1.408 0 50 HDAA NS(=O)(=O)c1ccc(CCNC(=O)c2cc(N3CCOC3=O)ccc2F)s1 1875264609 GBEGKALQOCQNNF-UHFFFAOYSA-N 413.452 1.464 0 50 HDAA CC(=O)N1CC[C@@](C)(C(=O)NCc2ccc(CN(C)C(=O)c3ccnc(O)c3)cc2)C1 1875360146 ZVXPYJIXTGELPD-HSZRJFAPSA-N 424.501 1.934 0 50 HDAA O=C1CC[C@@H](N2Cc3c(C(=O)Nc4ccc5c(c4)CNCC5)cccc3C2=O)C(=O)N1 2325896451 YQOIEPXLAJCIDB-LJQANCHMSA-N 418.453 1.346 0 50 HDAA COc1ccccc1N1CCN(c2ncccc2CNC(=O)C2(C(N)=O)CC2)CC1 11821837 KPKZCYHEGORNSN-UHFFFAOYSA-N 409.490 1.299 0 50 HDAA COCCN1CCN(C(=O)C[C@@H]2C(=O)NCCN2Cc2cccc3ccccc23)CC1 12572292 XYMXAWQLZFRACV-JOCHJYFZSA-N 424.545 1.321 0 50 HDAA CCOC(=O)c1nn(CCCc2ccccc2)c2c1CN(C(=O)[C@@H]1CCC(=O)N1)CC2 14535285 FIDKXLNVOJHMGN-SFHVURJKSA-N 424.501 1.856 0 50 HDAA CC[C@@H]1CN(CC(=O)N2CCN(CC(=O)N(C)C)CC2)Cc2ccc(Cl)cc2O1 14882030 ITHXNLBTPWCMAH-GOSISDBHSA-N 422.957 1.545 0 50 HDAA Cc1nc(CNC(=O)C[C@@H]2C(=O)NCCN2Cc2cccs2)nc2c1CCCC2 15063157 PLKYAFRVZCVOKF-GOSISDBHSA-N 413.547 1.732 0 50 HDAA COc1cc(CNCCc2c(C)n[nH]c2C)ccc1OC[C@@H](O)CN1CCOCC1 20362740 PPBXFIRNLVXYQD-IBGZPJMESA-N 418.538 1.439 0 50 HDAA Cc1nc2cc(C(=O)N3CC[C@H](N4CCOCC4)[C@H](CCC(=O)O)C3)ccc2[nH]1 95385479 UHVHAAPHKSMDOX-APWZRJJASA-N 400.479 1.899 0 50 HDAA CC[C@H](C(=O)OC)N(C)C(=O)CCN1C(=O)c2ccc(Br)cc2C1=O 170602499 HUMBIBNYRNYCNA-CYBMUJFWSA-N 411.252 1.845 0 50 HDAA O=C(NCCc1cnn(-c2ccccc2)c1)C(=O)N1CCCN(C(=O)C2CC2)CC1 241121729 JDMSPJCIRCJGME-UHFFFAOYSA-N 409.490 1.002 0 50 HDAA CNc1cc(N2CCC[C@@H]2CNS(=O)(=O)Cc2cccc(C(=O)OC)c2)ncn1 462575256 JXFZNQVLYSPNRM-MRXNPFEDSA-N 419.507 1.393 0 50 HDAA COc1ccc(-n2cccn2)cc1S(=O)(=O)NC[C@@H]1CC(=O)N(C2CCCC2)C1 670445476 NCLXMEZKPLEGOB-HNNXBMFYSA-N 418.519 1.950 0 50 HDAA NS(=O)(=O)c1cc(C(=O)N2CCN(c3ncnc4ccsc34)CC2)ccc1F 741706506 ZNLKDXAOWWLJMS-UHFFFAOYSA-N 421.479 1.440 0 50 HDAA CCN1CC[C@@H]2C[C@@H](N3CCOCC3)CC[C@@]2(C(=O)NCCn2cnc(C)c2C)C1 1857703335 ZVNJLMPFEBTKDX-FUPPJEDESA-N 417.598 1.829 0 50 HDAA COC(=O)[C@H]1C[C@H]2CN(C(=O)c3cc(=O)cc(C)[nH]3)CC(=O)N2[C@H]1c1ccccc1 1857706640 XYGAAORCPADERK-KNBMTAEXSA-N 409.442 1.271 0 50 HDAA O=C(c1cncc(F)c1)N1CCC2(CCc3c(O)nc(N4CCOCC4)nc32)CC1 1857710243 NIYCMLDMLUZXPW-UHFFFAOYSA-N 413.453 1.673 0 50 HDAA O=C(NC[C@H]1CCCCN1)c1ncccc1S(=O)(=O)N1CCc2ccccc2C1 1875305086 GHZQUSPRIIIBGH-GOSISDBHSA-N 414.531 1.701 0 50 HDAA C=CC(=O)NC[C@@H](NC(=O)[C@@H]1CCc2nnnn2CC1)c1ccc2ccccc2c1 1875386599 UYIYGFQUVICMMC-VQIMIIECSA-N 404.474 1.939 0 50 HDAA Nc1ncc(Br)cc1S(=O)(=O)NCCc1ccc(C(=O)O)cc1 2325743046 QJLNRYCCVDIFKX-UHFFFAOYSA-N 400.254 1.646 0 50 HDAA O=C(c1n[nH]c(-n2cnnc2)n1)N1CCC2(CC1)OCCc1c2[nH]c2ccccc12 2356153361 CULGPLAXAQHBDP-UHFFFAOYSA-N 404.434 1.571 0 50 HDAA CS(=O)(=O)c1ccc2nc(NC(=O)CN3C(=O)c4ccccc4C3=O)sc2c1 2680332 ZLVJFWPUXYYWKM-UHFFFAOYSA-N 415.452 1.935 0 50 HDAA CC(=O)N/C(=C/c1ccc(OS(=O)(=O)c2ccc(C)cc2)cc1)C(=O)NCCO 4872542 NJSAZFTUHYGIRZ-CPNJWEJPSA-N 418.471 1.348 0 50 HDAA Cc1ncc2c(c1CNS(=O)(=O)N(C)C)CCN(C(=O)Cc1cccs1)C2 11841557 FZMWBTXLHPSPIK-UHFFFAOYSA-N 408.549 1.475 0 50 HDAA CS(=O)(=O)N(CC(=O)N1CCN(Cc2ccccc2)CC1)Cc1ccccc1 19891224 PEEJQCZGHAHPFG-UHFFFAOYSA-N 401.532 1.793 0 50 HDAA Cc1ccn(-c2cc(N3CCN(S(=O)(=O)c4ccc(F)cc4F)CC3)ncn2)n1 72115675 FNXAMLBTVIRXNO-UHFFFAOYSA-N 420.445 1.760 0 50 HDAA Cc1nc(N2CCCC2)cc(N2CCN(C(=O)CNC(=O)c3ccccc3)CC2)n1 72446910 MEAJOFLBWLYRRP-UHFFFAOYSA-N 408.506 1.464 0 50 HDAA CC(C)=CCn1c(-c2ccc(F)cc2)cn2cc(C(=O)NC[C@H](O)CO)nc2c1=O 72457302 KEPLBNYHYZFCCH-INIZCTEOSA-N 414.437 1.351 0 50 HDAA Cc1ccc(S(=O)(=O)NCCCNC(=O)c2ccc3[nH]c(CO)nc3c2)cc1 97468636 YNTSGDZCIYBNPP-UHFFFAOYSA-N 402.476 1.462 0 50 HDAA O=C(Cc1cccnc1)NC[C@@H]1CN(CC2CCN(CC3CC3)CC2)C(=O)CO1 299799746 ZVRYWGFUKMARHS-HXUWFJFHSA-N 400.523 1.090 0 50 HDAA COc1c(C)cnc(CNC(=O)c2cc(C3CC3)nc3c2c(O)nc(=O)n3C)c1C 747769132 PHKVBBLEXGCWBV-UHFFFAOYSA-N 409.446 1.862 0 50 HDAA Cn1nnc(-c2ccc(C(=O)NC34C[C@@H]5C[C@H](C3)CC(n3ncnn3)(C5)C4)cc2)n1 825667679 GQKQBYRCZSGIBQ-LWYUSKRHSA-N 405.466 1.342 0 50 HDAA CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)C(c1ccccc1)c1ccccc1 1704300935 BWLPFDQNCVOFPO-RBUKOAKNSA-N 402.516 1.841 0 50 HDAA COc1cc(-c2onc(N(C)C)c2C(=O)NC[C@@H]2CN(C)CCN2C)ccc1F 1704335330 DGEUKHDRBBFCCW-CQSZACIVSA-N 405.474 1.531 0 50 HDAA N[C@H]1[C@H]2CC[C@@H]1CN(C(=O)Cn1nc(CC3CC3)nc1[C@H](N)Cc1ccccc1)C2 1857686726 FHZQUFPKOKAZSC-VQQMMKBISA-N 408.550 1.669 0 50 HDAA CCn1cc(S(=O)(=O)N2CC[C@@]34OC[C@@H](c5ccccc5)N3C(=O)C[C@@H]24)cn1 1857729200 MWQDGAXJNTZGFW-SCTDSRPQSA-N 402.476 1.366 0 50 HDAA CCN1C[C@H](C(=O)N2CCCC[C@@H](NC(=O)c3ccc(O)c(OC)c3)C2)CCC1=O 2325864627 ULBZGXZMJUBJLB-IAGOWNOFSA-N 417.506 1.770 0 50 HDAA O=C(C(=O)N1CCN(c2ccc(F)cc2)CC1)N1CCN(c2ccc(F)cc2)CC1 2572925 SUFZRFPHCKURNS-UHFFFAOYSA-N 414.456 1.962 0 50 HDAA O=C(NCc1nnc2n1CCN(C(=O)c1c(F)cccc1Cl)CC2)[C@@H]1CCOC1 11975730 CUZSSFRRGXRBBV-GFCCVEGCSA-N 421.860 1.422 0 50 HDAA O=C(c1cccs1)[C@@H]1CCCN(C(=O)CCn2nnnc2CN2CCOCC2)C1 15066397 WRBYYMYTKFUCJA-OAHLLOKOSA-N 418.523 1.078 0 50 HDAA C[C@@H](C(=O)NC[C@H]1Cc2cc(-c3cncnc3)cc(Cl)c2O1)N1CCOCC1 19841934 GANNOISTAQGGRI-SUMWQHHRSA-N 402.882 1.937 0 50 HDAA CC(C)N1CCN(CCCN2CC3(CCN(C4CCOCC4)CC3)OC2=O)CC1 72478309 QXIRYSWWWCZDHL-UHFFFAOYSA-N 408.587 1.868 0 50 HDAA Cc1noc(CN(C)C(=O)[C@H]2[C@@H]3C=C[C@@]4(CN(Cc5ccc(C)c(C)c5)C(=O)[C@H]24)O3)n1 77300705 RKVSEYZEIZTMAH-UDSSINMLSA-N 422.485 1.935 0 50 HDAA O=C(NCc1ccccn1)[C@H]1CCCN(C2CCN(C(=O)CN3CCCC3)CC2)C1 82106830 QNBJOTGOTLUNHV-IBGZPJMESA-N 413.566 1.497 0 50 HDAA Cc1nc2c3c(F)cccc3nn2c(O)c1CCC(=O)N[C@H]1CCS(=O)(=O)C1 252498811 RLZCDBHHZVHTMO-NSHDSACASA-N 406.439 1.272 0 50 HDAA CNS(=O)(=O)Nc1ccc(NC(=O)c2ccc(N3C[C@H](C)O[C@H](C)C3)nc2)cc1 684864631 JBZRCHAGQFWLFT-OKILXGFUSA-N 419.507 1.824 0 50 HDAA O=C(NC[C@@H]1CCCN(C(=O)NCC(=O)N2CCOCC2)C1)OCc1ccccc1 793043477 ZBWDXLBNIZCCGF-SFHVURJKSA-N 418.494 1.193 0 50 HDAA Cc1ccc([C@@H](C(=O)O)N2CCCN(S(=O)(=O)N3CCCCC3)CC2)cc1F 1529152693 NNECQIYTKQLTHW-SFHVURJKSA-N 413.515 1.998 0 50 HDAA Nc1ncc(CN2C[C@H]3CN(C(=O)Cc4c(F)cccc4Cl)C[C@]3(CO)C2)cn1 1772807481 NZROLODJQLKIAN-XOBRGWDASA-N 419.888 1.347 0 50 HDAA CN1CCCN(C[C@@H]2OCCN(C(=O)c3ccncc3F)[C@H]2c2cnn(C)c2)CC1 1857724579 IKUUWIRVKQOAGF-PMACEKPBSA-N 416.501 1.174 0 50 HDAA CN1CCn2nc(C(=O)N3C[C@H](O)[C@H](Cc4ccnc5ccccc45)C3)cc2C1=O 1857725064 UZZXPFGAGYOHGS-QRWLVFNGSA-N 405.458 1.193 0 50 HDAA CCCCOCC(=O)N1C[C@@H]2[C@H](CNC(=O)c3cnccc3C)[C@H]3CC[C@]2(C1)O3 1857738202 WOTCIOPQDFBGHH-JZJXAQOMSA-N 401.507 1.943 0 50 HDAA O=C(CC1(CC(=O)NCC[C@H]2CCC(=O)N2)CCCCC1)NCC[C@H]1CCC(=O)N1 2325723719 XFWMMBAZCPLBRP-IAGOWNOFSA-N 420.554 1.287 0 50 HDAA CCC[C@H](C(=O)N[C@@H]1Cc2ccccc2[C@H]1NC(=O)c1csc(CO)n1)N(C)C 2325872420 XDLBNZRAIWVVII-SZVBFZGTSA-N 416.547 1.878 0 50 HDAA O=C(O)C1(NS(=O)(=O)c2c(F)cc(I)cc2F)CC1 2325877566 UTUXLKZCUJXKML-UHFFFAOYSA-N 403.144 1.465 0 50 HDAA COc1cccc(CC2(C(=O)N3CCC[C@@]4(CCc5c[nH]c(=N)nc54)C3)CNC2)c1 2356147589 DGPVYRZOLYDYKA-JOCHJYFZSA-N 407.518 1.536 0 50 HDAA COc1ccc(OC)c(N(CC(=O)Nc2ccc3c(c2)OCCO3)S(C)(=O)=O)c1 785658 LPTBFRXSPAYHLC-UHFFFAOYSA-N 422.459 1.880 0 50 HDAA Cc1ccc(CN2CCN(C(=O)C[C@@H]3C(=O)NCCN3CC(C)C)CC2=O)cc1 12387185 AZAAJXYJOGPWFO-LJQANCHMSA-N 400.523 1.012 0 50 HDAA CN(Cc1ccc2nsnc2c1)[C@H]1CN(S(=O)(=O)c2ccccc2)C[C@@H]1O 12387301 OQHRUMJGXRLEPT-ROUUACIJSA-N 404.517 1.557 0 50 HDAA Cc1ncsc1CCN(C)C(=O)Cn1nnnc1CN1CCc2ccccc2C1 20918770 IPFDIMBVHYLDPQ-UHFFFAOYSA-N 411.535 1.697 0 50 HDAA NC(=O)c1noc([C@H]2CCCN2S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)n1 170616443 PXCUNBXQQHGAKK-SNVBAGLBSA-N 408.333 1.852 0 50 HDAA C[C@@H](NC(=O)C[C@H]1NC(=O)N(CCc2ccccc2)C1=O)c1nnc2ccccn12 223230056 QKGLSKHMTLLIGA-GDBMZVCRSA-N 406.446 1.460 0 50 HDAA CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)N[C@H]2C[C@H](c3ccccc3)C2)c1 437453077 YALWKMOAYSTDCJ-IYARVYRRSA-N 415.515 1.729 0 50 HDAA COc1ncccc1CN1CCC2(CC1)CC(=O)N(Cc1nc(C)no1)CCO2 1857703007 DTZZZEJMHIBVLJ-UHFFFAOYSA-N 401.467 1.565 0 50 HDAA CN(C)C[C@@H]1OCCN(C(=O)c2cnc(N3CCOCC3)nc2)[C@H]1c1ccccc1 1857722103 BOJABLHMIGFUQE-PMACEKPBSA-N 411.506 1.457 0 50 HDAA CCCn1c(-n2nc(C)cc2C)nc2c1c(=O)n(CCN1CCCCC1)c(=O)n2C 12516094 VRUFTRVYQMACEP-UHFFFAOYSA-N 413.526 1.595 0 50 HDAA O=C(NC1CCCCC1)N[C@H]1C[C@H]2C(=O)N[C@H](Cc3ccc(O)cc3)C(=O)N2C1 14540619 QMLVYGLLZOZWMW-JQHSSLGASA-N 400.479 1.035 0 50 HDAA CCOC(=O)N1CCC(NC(=O)C[C@H]2C(=O)NCCN2Cc2ccccc2)CC1 14957156 YSVPVPJYFDOKFO-SFHVURJKSA-N 402.495 1.114 0 50 HDAA Cc1cc(C)n(-c2ccc(=O)n(CC(=O)N3CCN(c4ccc(F)cc4)CC3)n2)n1 35997354 HNRMLYZVSSDVBC-UHFFFAOYSA-N 410.453 1.534 0 50 HDAA CCN(C)CC(=O)N1CCc2ccc(S(=O)(=O)N3CCC[C@@H]3COC)cc2C1 77419051 VNHAZOMDWOGIGL-GOSISDBHSA-N 409.552 1.323 0 50 HDAA CC[C@H](C)[C@@H](CO)NC(=O)CC[C@H]1N=C(O)N(Cc2ccc3c(c2)OCO3)C1=O 252570455 WTUQBARDQGWPJY-NWANDNLSSA-N 405.451 1.344 0 50 HDAA COc1ccc(S(=O)(=O)N2CC(NC(=O)NCc3ccc4c(c3)OCO4)C2)cc1 253417214 MSEWEPVZUKZLMQ-UHFFFAOYSA-N 419.459 1.296 0 50 HDAA O=C(O)CN1[C@H]2CC[C@@H]1C[C@]1(C2)CN(CCn2c(=O)oc3ccccc32)CCO1 1857701794 WFDYUOQQQJRRLJ-JIPZTSHUSA-N 401.463 1.377 0 50 HDAA Cc1nc(CCCNC(=O)[C@]23COC[C@H]2CN(CCn2cnnc2)C3)sc1C 1857704900 KDKOUNOXEKMZNR-VQIMIIECSA-N 404.540 1.049 0 50 HDAA COC1(C(=O)N2CC[C@]3(C2)C(=O)Nc2ccccc23)CCN(Cc2cnc[nH]2)CC1 1857736848 YRPKABFBWUALGZ-OAQYLSRUSA-N 409.490 1.513 0 50 HDAA CC(C)(C)[C@@]1(CNC(=O)CCCNC(N)=O)CCN(C(=O)C2SCCS2)C1 1875347218 KYKYJSMDLUPUKB-GOSISDBHSA-N 416.613 1.622 0 50 HDAA Cc1cc(C)n(C[C@H](C)NC(=O)COCC(=O)N[C@H](C)Cn2nc(C)cc2C)n1 2325721732 QQMZBKLUWWZKQP-IYBDPMFKSA-N 404.515 1.039 0 50 HDAA CN(C)C(=O)c1cncc(NCCCCCNc2cncc(C(=O)N(C)C)n2)n1 2325724076 YBWUBJHETPNYQS-UHFFFAOYSA-N 400.487 1.365 0 50 HDAA COc1cc(CN2CC[C@H](NC(=O)[C@@]34CCC[C@@](CN)(C3)OC4)C2)cc(OC)c1 2325879738 GJGMRZUUKPYNGC-HSQYWUDLSA-N 403.523 1.682 0 50 HDAA CCOC(=O)N1CCN(C(=O)[C@H](C)N(c2ccc(C)c(C)c2)S(C)(=O)=O)CC1 1079079 BADCXUOSACTJEQ-INIZCTEOSA-N 411.524 1.759 0 50 HDAA COc1ccc(N2C(=O)CN(C(=O)CN3C(=O)c4ccccc4C3=O)CC2(C)C)cc1 12041551 JEVGARPKNWDCKQ-UHFFFAOYSA-N 421.453 1.945 0 50 HDAA COCCn1nc(C(=O)N2CCCN(C)CC2)c2c1CCN(Cc1ccccc1)C2 14537780 BPHSHEJJPYIWAN-UHFFFAOYSA-N 411.550 1.866 0 50 HDAA COc1ccc(CN(C)Cc2nccs2)c(OC[C@@H](O)CN2CCN(C)CC2)c1 19595175 HJCDKAOXIBSMIY-SFHVURJKSA-N 420.579 1.771 0 50 HDAA COc1ccnc(CN(C)C(=O)[C@@H]2CCC(=O)N(CCCN3CCOCC3)C2)c1 20168094 FKSYZGQTDFPHRJ-QGZVFWFLSA-N 404.511 1.010 0 50 HDAA Cc1[nH]c(=O)[nH]c(=O)c1CSCC(=O)OCC(=O)Nc1cccc2ccccc12 22239160 CZYFTNRXASHPAT-UHFFFAOYSA-N 413.455 1.940 0 50 HDAA CCc1nccn1CCn1c(=O)n(CCc2ccccn2)c2ncc(C(=O)O)cc21 65384872 ZLECOQZQBTVTMP-UHFFFAOYSA-N 406.446 1.993 0 50 HDAA COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NC[C@H](C)CN3CCCC3)C2)cc1 72437103 PFCKZGUAMLSVOT-ROUUACIJSA-N 423.579 1.944 0 50 HDAA COc1ccc(SCCNC(=O)[C@H]2CCCN(S(=O)(=O)N(C)C)C2)cc1 72446902 ICJAOSWKAQGCGL-AWEZNQCLSA-N 401.554 1.422 0 50 HDAA COc1ccccc1[C@@H](CNC(=O)[C@@](C)(O)CN1Cc2ccccc2C1=O)N(C)C 225431471 QANVVNZSCJKVOW-XXBNENTESA-N 411.502 1.821 0 50 HDAA CN(C)C(=O)c1cccc(S(=O)(=O)N2CCn3c(Br)cnc3C2)c1 225829989 QIEYUEUXMUEVSH-UHFFFAOYSA-N 413.297 1.552 0 50 HDAA Cc1nc(CN2CCC(N3C[C@H](COc4ccc(F)cc4)OCC3=O)CC2)no1 299787690 ZNHRLXIKTZINSP-GOSISDBHSA-N 404.442 1.788 0 50 HDAA O=C(CN1CCC[C@H](n2ncc(N3CC[C@H](O)C3)cc2=O)C1)OCc1ccccc1 328605426 NOOVKJZWRGVPPO-ICSRJNTNSA-N 412.490 1.195 0 50 HDAA CCc1c(C)nn(CC(=O)N[C@H]2C3CN4CCN(C3)CC2(c2ccccc2)C4)c1C 670464094 PHRAFLKPYXCMDW-JWLIYLPMSA-N 407.562 1.746 0 50 HDAA COc1cc2c(cc1CN1CCC(N3CCN(CCO)CC3)CC1)OCCCO2 952963613 HLRPZXXIDLSSRK-UHFFFAOYSA-N 405.539 1.431 0 50 HDAA Cc1cc(=O)n(CCN2CCC(C(=O)NCc3ccccc3Cl)CC2)c(O)n1 1506405606 AQRKUQWGHPOTMN-UHFFFAOYSA-N 404.898 1.939 0 50 HDAA CC(=O)c1c(C)nn(CC(=O)N[C@H]2CCOC[C@@H]2Oc2ccc(CO)cc2)c1C 1565530916 TXAZVZGVZJGOPT-OALUTQOASA-N 401.463 1.548 0 50 HDAA Cc1cc(N2CCc3c(C(=O)O)c(O)cc(=O)n3CC2)nc(-c2ccccc2O)n1 1704315236 YDVHNRUAMAOQHN-UHFFFAOYSA-N 408.414 1.786 0 50 HDAA Nc1ncc(CN2C[C@@H]3CN(CCOc4ccc(Cl)cc4)C[C@@]3(CO)C2)cn1 1772807234 SIOKPMHJVGAOIO-JXFKEZNVSA-N 403.914 1.517 0 50 HDAA O=C(CCc1cccc2c1B(O)OC2)Nc1ccc(N2CCCS2(=O)=O)cc1 1776002971 OLQZJDJEHLXWLK-UHFFFAOYSA-N 400.265 1.016 0 50 HDAA Oc1nc(N2CCOCC2)nc2c1CC[C@]21CCCN(c2ncc(Cl)cn2)C1 1857688291 AXKZXTZKTLKYAF-IBGZPJMESA-N 402.886 1.947 0 50 HDAA CC(C)C[C@]1(CO)CCCN1C(=O)[C@@H]1CC[C@H](Cn2cnc3c(N)ncnc32)O1 1875360519 CNXKEUTUENUJJG-SIFCLUCFSA-N 402.499 1.356 0 50 HDAA C=CC(=O)N1CCC(C(=O)Nc2ccc(N3CCN(C(=O)C4CC4)CC3)nc2)CC1 1875369624 ZCKCHYRCZFOLFL-UHFFFAOYSA-N 411.506 1.503 0 50 HDAA CCN1C[C@@H](C(=O)N2CCCC[C@@H](NC(=O)c3ccc(C(N)=O)s3)C2)CCC1=O 2325864579 SSMHHNFMRPJESW-UONOGXRCSA-N 420.535 1.216 0 50 HDAA O=C1CC[C@@H](N2Cc3ccc(CNC(=O)O[C@H]4CCCC[C@@H]4F)cc3C2=O)C(=O)N1 2325886796 JOJRLZFAQLTKCD-BBWFWOEESA-N 417.437 1.955 0 50 HDAA Cn1ccc(C(=O)Nc2ccc(NC(=O)[C@@H]3CCCN(S(C)(=O)=O)C3)cc2)n1 2806980 GYTOXPZATWDYCC-CYBMUJFWSA-N 405.480 1.283 0 50 HDAA COc1cccc(C(=O)NC[C@H]2CCCN(C(=O)Cn3ccc(C)n3)C2)c1OC 11713276 CIKISLSQYKFAJA-MRXNPFEDSA-N 400.479 1.877 0 50 HDAA COCC(=O)N[C@H](c1nnc2n1CCN(Cc1cccc(OC)c1)CC2)C(C)C 11911229 YUYXZUPJELXNRN-FQEVSTJZSA-N 401.511 1.805 0 50 HDAA COc1cc(OC)cc(C(=O)NC[C@H]2CCCN(C(=O)C3=C(C)OCCO3)C2)c1 15077080 PNRSSVAIYMTVKU-OAHLLOKOSA-N 404.463 1.951 0 50 HDAA O=C(NCC[C@H]1CCCCO1)c1coc(CN2CCN(c3ncccn3)CC2)n1 15079752 RJUDWGOIHKLVOS-MRXNPFEDSA-N 400.483 1.476 0 50 HDAA C[C@@H](C1CCN(C(=O)Cn2nnnc2CN2CCCCCC2)CC1)N1CCOCC1 23339137 JHBUYDNUXXMFFH-SFHVURJKSA-N 419.574 1.008 0 50 HDAA CC(C)N1CCN(Cc2cnc(S(=O)(=O)CC3CC3)n2C[C@@H]2CCCO2)CC1 23375383 DQPSKVKHAKSZCT-IBGZPJMESA-N 410.584 1.772 0 50 HDAA Cc1nccn1-c1cc(N2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)ncn1 67622878 JMTVPXKHSQVTOV-UHFFFAOYSA-N 420.445 1.760 0 50 HDAA Cc1ncn(-c2cc(N3CCN(S(=O)(=O)c4ccccc4F)CC3)ncn2)c1C 72441886 PHMMWUOGRSAQHV-UHFFFAOYSA-N 416.482 1.929 0 50 HDAA CN(CCCn1cccn1)C(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(Cc4cccnc4)C(=O)[C@@H]13)O2 77408091 HYSHTZABLUMHAF-JYLXEMOASA-N 407.474 1.109 0 50 HDAA COCC(=O)N1CCC(Oc2ccccc2C(=O)NCc2cc(C)nn2C)CC1 95523681 OKVWJQQJVLBERV-UHFFFAOYSA-N 400.479 1.675 0 50 HDAA CCn1cc(NC(=O)[C@H]2[C@H](C(=O)O)[C@H]3CC[C@H]2O3)c(C(=O)NC2CCCCC2)n1 239287350 CQJVQYISJXRVRY-KLHDSHLOSA-N 404.467 1.782 0 50 HDAA C[C@H]1CN(CC(=O)Nc2nc3ccccc3s2)CCN1c1nccn2cnnc12 441026809 HPNDGPYGAAIDQD-ZDUSSCGKSA-N 408.491 1.883 0 50 HDAA Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)N3CCOCC4(CCOCC4)C3)C2=O)cc1 784752893 DNNWXRDCWXGSOO-OAQYLSRUSA-N 415.490 1.418 0 50 HDAA Cc1nc2ccccc2n1CCC(=O)N1CCCN(S(=O)(=O)N2CCCC2)CC1 952977234 PNZZIRUKLZTRBM-UHFFFAOYSA-N 419.551 1.610 0 50 HDAA O=C(c1ccccc1Cl)N1CCC(C(=O)N2C[C@]3(C(=O)O)C[C@]3(C(=O)O)C2)CC1 1704315834 PBDWCPJXSAABHE-BGYRXZFFSA-N 420.849 1.580 0 50 HDAA CCn1nc(C)c(NC(=O)CN2C[C@@H]3CN(Cc4nccs4)C[C@@]3(CO)C2)c1C 1772804573 ATEVTAQKSSCFMT-OXQOHEQNSA-N 418.567 1.341 0 50 HDAA COc1ccc2[nH]c(C(=O)N[C@H]3C[C@H]4CO[C@@H](CC(=O)N(C)C)CN4C3)cc2c1 1857711650 JJGNISQIZGHLIP-ZOBUZTSGSA-N 400.479 1.226 0 50 HDAA Cn1cc([C@H]2[C@H](CN3CCCCC3)OCCN2C(=O)CCCc2cn[nH]c2)cn1 1857736515 KCPYTPXZKPJPAV-FPOVZHCZSA-N 400.527 1.921 0 50 HDAA Cc1cnn(C)c1S(=O)(=O)N1CC[C@@]23O[C@@H](c4ccccc4)CN2C(=O)C[C@@H]13 1857740631 MWZLIEGGYVQYGS-MDZRGWNJSA-N 402.476 1.192 0 50 HDAA Cc1ccc(CCNC(=O)CCNS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)cc1 4079780 VCMOUKRNRJUVOH-UHFFFAOYSA-N 417.487 1.467 0 50 HDAA COC(=O)C1CCN(Cc2ccc(OC[C@H](O)CN3CCOCC3)c(OC)c2)CC1 12386171 MSXXFLNVSAXKAF-LJQANCHMSA-N 422.522 1.152 0 50 HDAA O=C(COc1ccccc1Cl)NCCCn1cc(C(=O)N2CCSCC2)nn1 14966947 IMPOTXJRQVCNEE-UHFFFAOYSA-N 423.926 1.706 0 50 HDAA CCN(CCn1cccn1)Cc1cnc(S(=O)(=O)CC2CC2)n1C[C@H]1CCCO1 20204951 RHQIDGHCPLXZFW-LJQANCHMSA-N 421.567 1.964 0 50 HDAA Nc1nc(C(F)(F)F)nc2c1nnn2C[C@H]1CN(Cc2nccs2)CCO1 165851270 VNLPYEMGHGDRRZ-MRVPVSSYSA-N 400.390 1.180 0 50 HDAA in-vitro Cc1nn(C)c(C)c1CN1C[C@@H]2CN(C(=O)c3cnc(O)c(Cl)c3)C[C@]2(CO)C1 1772809823 GAOSJXZXXHSYDF-QRWLVFNGSA-N 419.913 1.357 0 50 HDAA Cc1n[nH]c(C)c1CCC(=O)N1CCC[C@@]2(C(=O)N3CCCC3)CCN(C)C[C@H]12 1857682917 RBEDGDVVPONZSG-SIKLNZKXSA-N 401.555 1.894 0 50 HDAA CN(C)CCN1CCOC2(CCN(C(=O)c3cn4ccsc4n3)CC2)CC1=O 1857693455 XMBSCQAZHXELMN-UHFFFAOYSA-N 405.524 1.181 0 50 HDAA CCNC(=O)[C@@H]1C[C@@H]2CN(Cc3coc(C)n3)CC(=O)N2[C@@H]1c1ccc(OC)cc1 1857693978 VTVXJBREKCQBSU-YFVAEKQCSA-N 412.490 1.902 0 50 HDAA CN(C)C[C@@H]1OCCN(C(=O)c2cc(=O)n(C)c3ccccc23)[C@H]1c1cnn(C)c1 1857720918 QGRUVMYHXRLOGS-FPOVZHCZSA-N 409.490 1.416 0 50 HDAA CC(C)(C)[C@H]1C[C@@H](O)CC2(CCN(c3cc(N)nc(N4CCOCC4)n3)CC2)O1 1857733544 NUPICFWYLYLLJT-HZPDHXFCSA-N 405.543 1.820 0 50 HDAA CC(C)c1coc([C@@H]2CCCN2S(=O)(=O)c2cnc3c(c2)c(O)nc(=O)n3C)n1 1875346205 WQNFLFPLBXZBPB-AWEZNQCLSA-N 419.463 1.671 0 50 HDAA Nc1cccc(-c2cn(CC3(CNC(=O)[C@@]4(C5CCCC5)CCNC4=O)CC3)nn2)n1 1875353604 ZQTFNEVKDWNBBW-JOCHJYFZSA-N 423.521 1.515 0 50 HDAA Cc1cc(C)nc(-n2[nH]c(=NC(=O)C(=O)N[C@H](C)Cc3cccc(O)c3)cc2C)n1 2325720761 XYSLYZYSPPELMB-CQSZACIVSA-N 408.462 1.401 0 50 HDAA Cn1ccc(=O)c(OCc2ccccc2)c1C(=O)NCc1cccnc1-n1cncn1 2356149153 MXNVVPRDCDESPY-UHFFFAOYSA-N 416.441 1.870 0 50 HDAA CCOC(=O)C1CCN(C(=O)CN(c2ccccc2Cl)S(C)(=O)=O)CC1 784393 CPZHOMDJEWLRLX-UHFFFAOYSA-N 402.900 1.908 0 50 HDAA COc1ccc(OC)c(CN2CC[C@@H](N3CCN(c4ccccn4)CC3)[C@H](O)C2)c1 12595206 SRYKMXGLFFXZSQ-NHCUHLMSSA-N 412.534 1.856 0 50 HDAA Cn1cc(CN2C[C@@H](OCc3cccnc3)CN(Cc3cccc(O)c3)CC2=O)cn1 14533675 GMTZHNNKTGAMAW-QFIPXVFZSA-N 421.501 1.951 0 50 HDAA CCN1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(OC)c(C)c3)CC2)CC1 19527810 HFWLGJDNAYUSSL-UHFFFAOYSA-N 409.552 1.568 0 50 HDAA Cc1csc(NC(=O)Cn2nc(N3CCN(c4ccccc4)CC3)ccc2=O)n1 49546648 VUJBVPJJPUPJJG-UHFFFAOYSA-N 410.503 1.974 0 50 HDAA CCOC(=O)N1CCN([C@@H]2CCCN(C(=O)c3cnc4ccccn4c3=O)C2)CC1 55060516 ZHGODZCGJRFMIX-MRXNPFEDSA-N 413.478 1.073 0 50 HDAA COC(=O)C1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)CC1 65361794 NGMHXNZWAWNKCO-MRXNPFEDSA-N 414.911 1.905 0 50 HDAA CC(C)NC(=O)CN1CCC(N2CCC[C@H](C(=O)NCc3ccccn3)C2)CC1 82121087 ZVIJJXDKNJGUEJ-SFHVURJKSA-N 401.555 1.399 0 50 HDAA O=C([C@H]1CCCN(C2CCN(Cc3cccnc3)CC2)C1)N1CCC(CO)CC1 91626337 LFMRRHOKSAYGKQ-NRFANRHFSA-N 400.567 1.989 0 50 HDAA COc1ccc(CCN2C(=O)N[C@H](CCC(=O)NCC3CCOCC3)C2=O)cc1 206251524 DAIBVBFWBSMWMU-GOSISDBHSA-N 403.479 1.481 0 50 HDAA CC(=O)Nc1cccc(OCCNC(=O)NCc2ccc(S(N)(=O)=O)cc2)c1 225542985 LRIYUJTYBVDGSY-UHFFFAOYSA-N 406.464 1.171 0 50 HDAA CCN1CCC[C@@H]1CNC(=O)CC[C@H]1N=C(O)N(Cc2ccc3c(c2)OCO3)C1=O 252571274 XQZGFVDQBHBXOC-HZPDHXFCSA-N 416.478 1.421 0 50 HDAA Cc1noc(C)c1CN1CCc2c(C(=O)N[C@H](C)c3nc(N)n[nH]3)csc2C1 426394519 GSRJIDWORKGPFZ-SNVBAGLBSA-N 401.496 2.103 0 50 HDAA CSc1nn2c(=O)cc(CN3CCC[C@@H](C(=O)c4nccn4C)C3)nc2s1 1506427528 MGSDXWHKJUBIBS-LLVKDONJSA-N 404.521 1.701 0 50 HDAA O=C(N1CCOc2ccc(Cl)cc2C1)[C@]12COC[C@H]1CN(Cc1cc[nH]n1)C2 1857687688 ZYKDMBLKZFEDCR-FOIQADDNSA-N 402.882 1.933 0 50 HDAA C[C@]1(CNC(=O)c2cc3ncccn3n2)CCCN(C(=O)[C@@H]2CCc3nn[nH]c3C2)C1 1875361506 UAJOVWQHUIKPQM-SPLOXXLWSA-N 422.493 1.011 0 50 HDAA CC(=O)N1CC(C)(NC(=O)CCCCCCCC(=O)NC2(C)CN(C(C)=O)C2)C1 2325739028 XBAFTSSNKLHUQX-UHFFFAOYSA-N 408.543 1.191 0 50 HDAA CC1(C)O[C@@H]2[C@@H](COC(=O)c3ccccc3)O[C@@H](n3cnc4c(=O)[nH]cnc43)[C@@H]2O1 3984589 KOXVVHBLTCPKDL-SCFUHWHPSA-N 412.402 1.394 0 50 HDAA COc1ccc(OC[C@H](O)CN(CCO)C[C@H](O)Cn2ccc3ccccc32)cc1 4248029 RDLCNKMHHWWUDK-VQTJNVASSA-N 414.502 1.745 0 50 HDAA CCN(C[C@H]1CCCO1)C(=O)C[C@]1(c2ccccc2F)CC(=O)N(CCOC)C1=O 11872335 ODZHTJKDZUCZFC-OPAMFIHVSA-N 420.481 1.886 0 50 HDAA Cn1nccc1C(=O)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 13321502 CMJZFJACVVRJHZ-UHFFFAOYSA-N 419.326 1.391 0 50 HDAA CC(C)CN1C[C@H](OCc2cccc(F)c2)CN(C(=O)[C@@H]2CNC(=O)C2)CC1=O 14536538 ZYKYNPHYNCMUIZ-WMZOPIPTSA-N 405.470 1.174 0 50 HDAA CN1C(C(=O)N2CCN(Cc3ccccc3)CC2)=CC(c2ccco2)=NS1(=O)=O 15673617 ODJDTELPMVOIFB-UHFFFAOYSA-N 414.487 1.487 0 50 HDAA Cc1nc(-c2c3n(c(=O)n(CC(=O)Nc4c(C)cccc4C)c2=O)CCCC3)no1 169763902 AFJSHTUDMCUCQV-UHFFFAOYSA-N 409.446 1.960 0 50 HDAA COc1ccc(OC)c2c1[C@H]1[C@@H]3[C@@H]4[C@H]3[C@H]3[C@@]15C[C@H](n1[nH]c(=O)n(C)c1=O)C=C[C@]35[C@@H]24 248041089 OGQGXENRZAODAB-CCIZNLDASA-N 405.454 1.766 0 50 HDAA CC[C@@H](CO)N1CCN(S(=O)(=O)c2cccc(NC(=O)c3ccco3)c2)CC1 408520904 AQDPSTKSFLABNP-INIZCTEOSA-N 407.492 1.609 0 50 HDAA COc1ccc(C(=O)N2CCN(C(=O)N[C@@H](C)c3ncnn3C)CC2)cc1OC 473926392 FLGSXMCRNLKHGC-ZDUSSCGKSA-N 402.455 1.061 0 50 HDAA CS(=O)(=O)NC[C@@H]1CCCN([C@H]2CC(=O)N(c3ccc4ccccc4c3)C2=O)C1 917638504 PNYWVAKLKYSHSJ-KXBFYZLASA-N 415.515 1.733 0 50 HDAA CN1C[C@H]2CN(c3cc4c(nn3)CCN(C(=O)[C@H]3CCC[C@H](N(C)C)C3)C4)C[C@H]2C1 952890814 JHMHNCPXGCCJDB-FFGOWVMKSA-N 412.582 1.480 0 50 HDAA CCCNS(=O)(=O)c1ccc(C(=O)N[C@H]2COC[C@@H]2Cc2ccncc2)cc1 1616074249 VCQUKDDMZUGQRB-HKUYNNGSSA-N 403.504 1.757 0 50 HDAA CCOC(=O)[C@@]12CC[C@H](N3CCOCC3)C[C@H]1CCN(Cc1cccn(C)c1=O)C2 1857693079 HFZHFCMXWKVXDZ-ZRCGQRJVSA-N 417.550 1.641 0 50 HDAA CCOc1ccc(C(=O)N[C@H]2C[C@H](C(=O)NCCCc3ncc[nH]3)C[C@@H]2O)cc1 1875249166 JFFCKONDJGHBKA-SZMVWBNQSA-N 400.479 1.427 0 50 HDAA C[S@@](=N)(=O)CCc1cn(CC2(CNC(=O)Cc3cccc(C(=O)O)c3)CC2)nn1 1875354490 XVLKBIPUOPQOFJ-GDLZYMKVSA-N 419.507 1.334 0 50 HDAA O=C1CC[C@@H](N2Cc3ccc(-n4cc(-c5cccnc5F)nn4)cc3C2=O)C(=O)N1 1875355343 HJQZHCVRMUSDCJ-MRXNPFEDSA-N 406.377 1.229 0 50 HDAA C[C@]1(n2cc(CNC[C@@H](Cc3cccc(O)c3)C(=O)O)cn2)CCS(=O)(=O)C1 2325851667 GEUUVDKDZMXIDR-APWZRJJASA-N 407.492 1.156 0 50 HDAA CCOC(=O)N1CCN([C@@H]2CCCN(C(=O)CC3=CSC4=NCCN34)C2)CC1 12005490 GLPXIFRTVXGOHM-OAHLLOKOSA-N 407.540 1.401 0 50 HDAA O=C1C[C@@H](c2ccc(S(=O)(=O)N3CCN(c4ccccc4F)CC3)cc2)CN1 12375637 FNYZFMIBYQALMY-MRXNPFEDSA-N 403.479 1.940 0 50 HDAA COc1ccc(CN2CCCN(C(C)=O)CC2)cc1OC[C@H](O)CN1CCCCC1 12703963 VAVXZHQCLVEELY-OAQYLSRUSA-N 419.566 1.975 0 50 HDAA Cc1c(C(=O)N2CCC[C@@H](O)C2)sc2ncnc(NCCN3CCOCC3)c12 23337337 NQERPXBVSXTPEE-CQSZACIVSA-N 405.524 1.341 0 50 HDAA Cc1ncn(-c2cc(N3CCN(S(=O)(=O)Cc4ccccc4)CC3)ncn2)c1C 72119210 TXUPASJTFDWTFD-UHFFFAOYSA-N 412.519 1.931 0 50 HDAA O=C1CCC(C(=O)N2CCc3ccc(S(=O)(=O)Nc4cccnc4)cc3C2)=NN1 77506108 IUFISLKPLZGLAT-UHFFFAOYSA-N 413.459 1.033 0 50 HDAA Cc1ccc(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N3CCCN(C)CC3)[C@H]4C2=O)cc1C 77518324 REVWQCQJVKMNKM-XARGGIHNSA-N 409.530 1.750 0 50 HDAA Cc1nn(-c2ccccc2Cl)c(=O)n1CC(=O)N(Cc1cnn(C)c1)C1CC1 77540492 KGPNXXMDWKAXKO-UHFFFAOYSA-N 400.870 1.921 0 50 HDAA COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)[C@@H]1CCCN1C(C)C)CC2 95529844 HNQSEHUCAVWEKI-KRWDZBQOSA-N 403.527 1.131 0 50 HDAA CCc1cc(N2CCC[C@H]2C(=O)N(C)C)nc(CN2CCC[C@@H]2C(=O)N(C)C)n1 229886133 XJPOWWHGWITCSQ-SJORKVTESA-N 402.543 1.149 0 50 HDAA CC(C)(C)n1ncc2c(O)nc(NCc3cccnc3N3CCC(C(N)=O)CC3)nc21 301176663 GMHYIGPUXBHGAS-UHFFFAOYSA-N 424.509 1.996 0 50 HDAA COc1ccc(C(=O)N2CCC[C@H](n3ncc(N4CC[C@H](O)C4)cc3=O)C2)c(C)c1 328604022 ICTBLWDPOZOJCB-WMZOPIPTSA-N 412.490 1.609 0 50 HDAA CCCCN1C(=O)CC[C@H](C(=O)N[C@@H]2CCC(=O)NC2=O)[C@H]1c1ccccc1OC 435982925 NFBVWTYFKXXZAB-RZQQEMMASA-N 415.490 1.696 0 50 HDAA Cc1ccc(C(=O)N2CCC(NC(=O)c3cc4ncc(CCO)cn4n3)CC2)cc1 670447240 ROLMWGCIMSNTNI-UHFFFAOYSA-N 407.474 1.607 0 50 HDAA O=C(CCS(=O)(=O)c1ccccc1)NC12C[C@@H]3C[C@H](C1)CC(n1ncnn1)(C3)C2 828003505 JCHUCONOZQKIKZ-BANKROOTSA-N 415.519 1.701 0 50 HDAA CN1C[C@H]2CN(c3cc4c(nn3)CCN(C(=O)[C@H]3CCC[C@@H](N(C)C)C3)C4)C[C@H]2C1 952890815 JHMHNCPXGCCJDB-IJXRJRJASA-N 412.582 1.480 0 50 HDAA C[C@@H]1CN(C(=O)Nc2cccc3c2N(C)C(=O)CO3)CCN1c1nccn2cnnc12 1775997466 JZSYESJLHQRPGH-CYBMUJFWSA-N 422.449 1.222 0 50 HDAA COCc1nnc(N2C[C@H](C(=O)N3CCN(c4ccccc4)CC3)CC2=O)s1 1857707824 LHCCQZDUSYBTQH-CQSZACIVSA-N 401.492 1.386 0 50 HDAA O=C(c1ccc2nn[nH]c2c1)N1CCO[C@@H](CN2CCOCC2)[C@@H]1c1cccnc1 1857723493 INAARGFALGGEKE-PMACEKPBSA-N 408.462 1.267 0 50 HDAA CCOc1cc(CN2C[C@H]3COC[C@@H](C2)C(=O)N3)ccc1OCCn1ccnc1 1875244748 SFOHUOYWQSXKQB-MSOLQXFVSA-N 400.479 1.308 0 50 HDAA O=C1CC(CC(=O)N2CCC[C@@H](CCNC(=O)c3n[nH]c4c3CCCC4)CC2)=NN1 1875322409 RSIONCLLEZIOOF-AWEZNQCLSA-N 414.510 1.303 0 50 HDAA CN(C)C(=O)c1ccc2c(c1)N(C)[C@@H](CC(=O)N1[C@H]3CC[C@@H]1C[C@@H](CO)C3)CO2 2100545239 KTETYSXILDYLSV-OWLYRPNTSA-N 401.507 1.738 0 50 HDAA CCN1C[C@@H](C(=O)N2CCCC[C@H](NC(=O)c3ccc(CO)cc3)C2)CCC1=O 2325864406 NNKIVJMTSGZPEY-OALUTQOASA-N 401.507 1.548 0 50 HDAA COCCCN1C(=O)[C@]2(CCN(C(=O)c3cnn4ccn(C)c34)C2)c2ccccc21 2356138044 GAKSMCLDJGBZPX-QFIPXVFZSA-N 407.474 1.840 0 50 HDAA O=C(CN1CCOC1=O)N1C[C@@H]2C[C@H](C1)[C@@H]1CCCC(=O)N1[C@H]2Cc1ccccc1 2356162672 ORZLOJZYODINHS-FYQPLNBISA-N 411.502 1.909 0 50 HDAA CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(F)cc3)CC2)cc1 899990 PEEBFPBTDONYHJ-UHFFFAOYSA-N 405.451 1.931 0 50 HDAA CCOC(=O)C1=C(C)N=c2s/c(=C/c3cnn(C)c3)c(=O)n2[C@@H]1c1ccc(O)cc1 8455049 NCXQCUZMZLLJMJ-QJKHOBJASA-N 424.482 1.237 0 50 HDAA CC1CCN(Cc2nnnn2CC(=O)N2CCC(OCc3ccccn3)CC2)CC1 12299466 OHBJKPQMIPGXFY-UHFFFAOYSA-N 413.526 1.508 0 50 HDAA CN(Cc1cnccn1)C(=O)C[C@H]1C(=O)NCCN1Cc1ccc(F)cc1Cl 14949461 MWZVAIBOLFIDCL-KRWDZBQOSA-N 405.861 1.618 0 50 HDAA COC(=O)CCCNC(=O)C[C@@H]1C(=O)NCCN1Cc1ccccc1C(F)(F)F 15079608 UYWWWDYGFCKCMK-OAHLLOKOSA-N 415.412 1.465 0 50 HDAA CNc1cc(C(=O)N2CC[C@@H](N3CCN(c4ccccc4F)CC3)[C@H](O)C2)ccn1 19771253 FCGMVQXXUPNQCM-WOJBJXKFSA-N 413.497 1.660 0 50 HDAA Cc1ccc(Cl)cc1NC(=O)CN1CCN(S(=O)(=O)c2cnn(C)c2)CC1 36007092 VKFWOAFPBOZRKI-UHFFFAOYSA-N 411.915 1.327 0 50 HDAA O=C(C[C@H]1C(=O)NCCN1Cc1ccccn1)NC1CCN(c2ccccc2)CC1 39519215 ACGYOTGYMZORCI-NRFANRHFSA-N 407.518 1.557 0 50 HDAA CS(=O)(=O)c1ccccc1N1CCN(c2nc(=O)c3c([nH]2)CCSC3)CC1 205463129 JSQPAEVPPSCQMV-UHFFFAOYSA-N 406.533 1.289 0 50 HDAA CN(CCNC(=O)N1CCCN(C(=O)C(F)(F)F)CC1)CCc1ccccc1 426590000 PNNSCNJLMYHUME-UHFFFAOYSA-N 400.445 1.967 0 50 HDAA Cc1cc(C)n(CCCC(=O)N[C@@H]2C3CN4CCN(C3)CC2(c2ccccc2)C4)n1 670451861 WNSGSOLQTKFRES-SDPJGKNGSA-N 407.562 1.964 0 50 HDAA Cc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NCc2nc(-c3ccccn3)no2)o1 827801701 ODSRKKCXZZOGGC-MRXNPFEDSA-N 410.434 1.040 0 50 HDAA C[C@@H](NC(=O)Cn1nc(Cc2ccccc2)c2ccccc2c1=O)c1nncn1C 827864138 BBQWYMGFMFXGLC-OAHLLOKOSA-N 402.458 1.993 0 50 HDAA CC(=O)N[C@@]1(C)CC2(CCN(Cc3ccc(Cn4cccn4)cc3)CC2)OC[C@@H]1O 1772701516 QQRKNTKXYLYXEN-VXKWHMMOSA-N 412.534 1.942 0 50 HDAA O=C(C1CCOCC1)N1C[C@H]2CN(CCCOCc3ccccc3)C[C@@]2(CO)C1 1772709289 KJFIFDVCAVEBRN-GGAORHGYSA-N 402.535 1.773 0 50 HDAA CCCCS(=O)(=O)N1C[C@H]2CN(C(=O)Cc3cccnc3)C[C@@]2(CN(C)C)C1 1772814999 BROPORFBTSKUJY-QUCCMNQESA-N 408.568 1.076 0 50 HDAA COC(=O)N1CCN(C(=O)[C@H]2CC(=O)N(c3nc4ccc(C)cc4s3)C2)CC1 1857719340 IXYGQWMPYFCUQT-ZDUSSCGKSA-N 402.476 1.868 0 50 HDAA COCc1nnc(N2C[C@@H](C(=O)N3CCC(c4ccncn4)CC3)CC2=O)s1 1857720207 JNDXLEUCOQTOIO-ZDUSSCGKSA-N 402.480 1.234 0 50 HDAA CC[C@H]1[C@@H](C(=O)NCCc2ccccc2)C[C@H]2CN(C(=O)c3cn[nH]c3)CC(=O)N21 1857733590 QCDRPUXWECIQND-FHWLQOOXSA-N 409.490 1.220 0 50 HDAA O=C(c1cn(C2CC2)nc1C(F)(F)F)N1CC[C@H](n2cc(C3(O)COC3)nn2)C1 1875329612 ABUKQXUEFGFOHS-NSHDSACASA-N 412.372 1.133 0 50 HDAA CCc1nnc(-c2cccc(NC(=O)C(=O)N3CCC[C@@H](c4cc[nH]c(=N)n4)C3)c2)o1 1875353506 VMGSEJGJSPQAEG-CQSZACIVSA-N 421.461 1.846 0 50 HDAA O=C1CC[C@H](N2Cc3c(cccc3-n3cc([C@H]4CC[C@H](CO)CC4)nn3)C2=O)C(=O)N1 1875356521 PGXALISNNNHKJJ-NJSLBKSFSA-N 423.473 1.294 0 50 HDAA Cc1cncc(CC(=O)N2C[C@H]3C[C@H]2CC[C@@H]3NC(=O)c2coc3c2C(=O)NCC3)c1 1875359235 YVJGFEKKGKETEZ-NUJGCVRESA-N 422.485 1.621 0 50 HDAA O=C1NC(=O)[C@@]2(CCCN(C(=O)c3cc(-c4ccccc4)n(-c4ccccn4)n3)C2)N1 2325750149 WUYBTUOBERSEBZ-QFIPXVFZSA-N 416.441 1.749 0 50 HDAA Cc1nc2ncnn2c(C)c1CCC(=O)N1CCc2nc(-c3cccnc3)nn2CC1 2356143087 UVFCCSCPIRUDCA-UHFFFAOYSA-N 417.477 1.412 0 50 HDAA COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)OCc1ccccc1 1640103 YJQURCNBCROTGE-KSSFIOAISA-N 400.431 1.907 0 50 HDAA COC(=O)[C@@H](CSCc1ccccc1)NC(=O)CSc1nc(N)cc(N)n1 4593497 RPNDVTXUFKIAQC-GFCCVEGCSA-N 407.521 1.324 0 50 HDAA O=C(O)[C@H](NS(=O)(=O)c1ccc(Br)cc1)[C@@H](O)c1ccccc1 5009974 QIFVJBIKOKRULH-KGLIPLIRSA-N 400.250 1.914 0 50 HDAA Cc1noc(C)c1S(=O)(=O)N1CCCC[C@@H]1CCn1cc(C(=O)NC(C)C)nn1 14880714 PGBRMAZFLSAYBL-OAHLLOKOSA-N 424.527 1.655 0 50 HDAA CC[C@H](NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1)c1ccc(S(C)(=O)=O)cc1 65362409 YTDMOLQTOVPOGK-HOCLYGCPSA-N 402.538 1.329 0 50 HDAA CCN(Cc1nc(C)no1)C(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(Cc4cccnc4)C(=O)[C@H]13)O2 77437143 IEMHLABCUZURPL-DBSRCYSRSA-N 409.446 1.104 0 50 HDAA O=C1[C@@H]2CC=CC[C@H]2C(=O)N1CC(=O)N(Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 169308373 CRUAVMBGZIJEQG-KZNAEPCWSA-N 416.499 1.154 0 50 HDAA COC(=O)C1(NC(=O)c2cccc(OC[C@H]3CCCO3)c2)CCS(=O)(=O)CC1 240444240 FWUYTXOZGASWQT-MRXNPFEDSA-N 411.476 1.095 0 50 HDAA COC(=O)c1c(OCCCN(C)C)cc(=O)n2c1CCN(C(=O)CCC(C)C)CC2 299770647 UACHFQYFJMXESR-UHFFFAOYSA-N 421.538 1.786 0 50 HDAA Cc1noc(C)c1CN1CCc2c(C(=O)NCCN3CCNC3=O)csc2C1 426514536 CRXHMNBSIMMXDQ-UHFFFAOYSA-N 403.508 1.666 0 50 HDAA COCC(=O)N1C[C@@H]2CC[C@H](C1)[C@@H]2NS(=O)(=O)c1cc(-c2ccno2)ccc1C 1857683589 XMPICGVVQLOYOE-IGOJGBNBSA-N 419.503 1.812 0 50 HDAA CC(C)C[C@H]1[C@@H](C(=O)NCc2cc[nH]n2)C[C@H]2CN(C(=O)c3cc[nH]c3)CC(=O)N21 1857736760 UNYVHXXLOWFLJN-BZSNNMDCSA-N 412.494 1.142 0 50 HDAA Cc1ccn(CCC(=O)N[C@H]2C[C@H](C(=O)NCc3ccc(C)c(F)c3)C[C@@H]2O)n1 1940196470 NSIKULJWFMFLLW-WDSOQIARSA-N 402.470 1.601 0 50 HDAA Cc1cc(C(N)=O)cc(S(=O)(=O)Nc2ccc([C@@]3(C)NC(=O)N(C)C3=O)cc2)c1 2325851788 JIOITGBXLONVFF-LJQANCHMSA-N 416.459 1.292 0 50 HDAA CC(C)[C@H](NS(=O)(=O)c1ccccc1)C(=O)N1CCN(C(=O)c2ccco2)CC1 6703394 FOWVRXBLJSXTLY-SFHVURJKSA-N 419.503 1.567 0 50 HDAA COc1ccc(OC[C@H](O)CN2CCC(O)CC2)c(CN(C)Cc2nonc2C)c1 12591081 FJEKKZKDICZFOB-GOSISDBHSA-N 420.510 1.215 0 50 HDAA COC(=O)C1CCN(C(=O)C[C@H]2C(=O)NCCN2Cc2cccc3ccccc23)CC1 12753155 DCMLJDVPKCDXJK-NRFANRHFSA-N 423.513 1.942 0 50 HDAA CCOc1ccc(CN2CCc3nnc([C@@H](NS(C)(=O)=O)C(C)C)n3CC2)cc1 14991856 ICWAUHMEWZXXHU-IBGZPJMESA-N 421.567 1.981 0 50 HDAA Cc1cn2cc(CNC(=O)c3ccc(CN4CCCC[C@H]4CN)[nH]c3=O)nc2s1 77505360 SZQNAVJFNVCJDW-INIZCTEOSA-N 414.535 1.636 0 50 HDAA Cc1ccccc1OCCN1C[C@H]2CN(C(=O)OC(C)(C)C)CCN2S1(=O)=O 170608998 GCGFHQYMWJJXRL-MRXNPFEDSA-N 411.524 1.856 0 50 HDAA COC(=O)CC1CCN(C(=O)C[C@H]2NC(=O)N(CCc3cccc(F)c3)C2=O)CC1 223227824 YEBRXRLXVRQJJT-QGZVFWFLSA-N 419.453 1.480 0 50 HDAA COc1ncccc1C(=O)NC[C@H]1CN(CC2CCN(CC3CC3)CC2)C(=O)CO1 299797749 QFTKMZYXTUEQJP-SFHVURJKSA-N 416.522 1.169 0 50 HDAA O=C(Cn1nc(-c2ccccc2)c2ccccc2c1=O)NCc1nnc2n1CCC2 827864626 PKBUPGRCLDHKTH-UHFFFAOYSA-N 400.442 1.918 0 50 HDAA COc1cc(CN2C[C@@H](O)[C@H](Cc3ccccn3)C2)cc(Cl)c1OCC(N)=O 1529101259 BBGHMHAQYRTVEA-RHSMWYFYSA-N 405.882 1.643 0 50 HDAA Cc1c[nH]c(=N)nc1N1CCC(N2C[C@H](COc3ccc(F)cc3)OCC2=O)CC1 1857674248 ZUFMTCZWGSAAAM-GOSISDBHSA-N 415.469 1.612 0 50 HDAA Cc1ccncc1C(=O)NC[C@@H]1CN(CC2CCN(CC3CC3)CC2)C(=O)CO1 1857680839 WCKPMBHDQXYIIJ-LJQANCHMSA-N 400.523 1.469 0 50 HDAA COCCN(C)C[C@H](O)C1CCN(C(=O)c2cnn(Cc3ccccc3)c2)CC1 1857736225 FZWPKRRYBQSNRF-NRFANRHFSA-N 400.523 1.723 0 50 HDAA NC[C@@]12CC[C@@](NS(=O)(=O)c3c[nH]c4ncc(Br)cc34)(CO1)C2 1875325912 FNPFNDVBHPJSQZ-KBPBESRZSA-N 401.286 1.254 0 50 HDAA CN(C)c1ccc(-c2ccnc(N3CCN(S(=O)(=O)N4CCCC4)CC3)n2)cc1 2356155881 MPYZXALIHTZQRG-UHFFFAOYSA-N 416.551 1.672 0 50 HDAA C[C@]12CC[C@@H]3[C@H](CC[C@@]4(O)C[C@@H](O)CC[C@]34C=O)[C@@]1(O)CC[C@H]2C1=CC(=O)OC1 9212375 ODJLBQGVINUMMR-QCGJWGEISA-N 404.503 1.898 0 50 HDAA Cc1noc(C)c1CC(=O)N1CCC([C@@]2(Cc3ccccc3)NC(=O)NC2=O)CC1 12167915 GYPDFUBYUOTEDL-JOCHJYFZSA-N 410.474 1.893 0 50 HDAA Cc1ccc(C(=O)N[C@H]2C[C@H]3C(=O)N[C@@H](COCc4ccccc4)C(=O)N3C2)cc1 14755729 IQZHGGFLWMSDOI-UFYCRDLUSA-N 407.470 1.410 0 50 HDAA O=C1C[C@@H](Sc2ncn[nH]2)C(=O)N1c1ccc(I)cc1 18285740 KWCMEZRYDCUVGA-SECBINFHSA-N 400.201 1.834 0 50 HDAA O=C(Cn1nnnc1CN1CCCCCC1)N[C@@H](Cn1ccnc1)c1ccccc1 20201305 UIDJLWJISGNUSY-IBGZPJMESA-N 408.510 1.803 0 50 HDAA CN(Cc1nnc(-c2ccccc2)o1)C(=O)C[C@H]1C(=O)NCCN1Cc1ccoc1 55037200 KDCQVVNAADVYIN-KRWDZBQOSA-N 409.446 1.679 0 50 HDAA Cc1ccc([C@@H](NC(=O)c2cn(CCN3CCOCC3)nn2)c2ccncc2)cc1 67491367 HUZMJQUJGWLMPO-OAQYLSRUSA-N 406.490 1.833 0 50 HDAA Cc1nc(N2CCN(S(=O)(=O)c3ccccc3F)CC2)cc(-n2ccnc2)n1 67613061 QLFUJLVSCTUSEC-UHFFFAOYSA-N 402.455 1.621 0 50 HDAA CN1CCN(c2cc(N3CCN(C(=O)CCCc4ccccc4)CC3)ncn2)CC1 72437108 UTHQWFBHOWCEFB-UHFFFAOYSA-N 408.550 1.900 0 50 HDAA O=C([C@@H]1[C@@H]2C=C[C@@]3(CN(CCc4ccncc4)C(=O)[C@H]13)O2)N1CCC(F)(F)CC1 77303770 XSLWGEGAVYVFBB-CLWJZODNSA-N 403.429 1.664 0 50 HDAA COc1cccc(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N(C)Cc3nc(C)no3)[C@@H]4C2=O)c1 77355403 WPIVLBSQVNPFIX-UYZIEWPDSA-N 424.457 1.327 0 50 HDAA COC(=O)c1cn(-c2ccc(N3CCN(C)CC3)c(Cl)c2)cc2c(=O)[nH]nc1-2 253398562 CEVFNAPLQXKEFQ-UHFFFAOYSA-N 401.854 1.857 0 50 HDAA Nc1nc(CCCNC(=O)c2sccc2S(=O)(=O)N2CCCC2)cs1 670448475 XJFJXBRYDKEDLD-UHFFFAOYSA-N 400.551 1.934 0 50 HDAA Cn1cc(S(=O)(=O)N2CCC[C@H](CNC(=O)c3ccc4c(c3)CCO4)C2)cn1 825658331 FMLYBYDUEIAKRD-CQSZACIVSA-N 404.492 1.186 0 50 HDAA CN(C[C@@H]1CCCN2CCCC[C@H]12)C(=O)Cn1cnc2c(N(C)C)nc(N)nc21 827883370 ZYTKRJPFIGYLAW-LSDHHAIUSA-N 400.531 1.197 0 50 HDAA biogenic CN(c1ccc(C(=O)N[C@H]2CCCN(C(=O)c3ccco3)C2)cc1)S(C)(=O)=O 828157979 IFIYLXUOQRRVQK-HNNXBMFYSA-N 405.476 1.710 0 50 HDAA CN1C[C@H]2CN(c3cc4c(nn3)CCN(C(=O)[C@@H]3CCCCCC[C@@H]3N)C4)C[C@H]2C1 952891026 SOEOWHLSPBSVMA-WCIQWLHISA-N 412.582 1.657 0 50 HDAA O=S(=O)(c1ccccc1)N1CCC(Nc2nccc(N3CCC[C@@H](O)C3)n2)CC1 1704297836 XRDQMVIDSQCUMY-QGZVFWFLSA-N 417.535 1.703 0 50 HDAA Cn1c(=O)c(CN2C[C@@H]3CN(Cc4nccs4)C[C@@]3(CO)C2)cc2ccccc21 1772706938 XADHHRIAVFRDHJ-XMSQKQJNSA-N 410.543 1.921 0 50 HDAA CCC(=O)N1CCc2cc(S(=O)(=O)N[C@H](Cc3ccccc3)C(=O)O)ccc21 6948295 VKDQMSHHBMZKQV-QGZVFWFLSA-N 402.472 1.960 0 50 HDAA COCC(=O)N1CCC(Oc2ccc(C(=O)NCc3cnn(C)c3C)cc2)CC1 12315900 FRBQUDHAQWZMJX-UHFFFAOYSA-N 400.479 1.675 0 50 HDAA COc1ccc(CCc2nnc(CCC(=O)N(C)CCCN3CCOCC3)o2)cc1 14947844 QLUDJYWYXLVLOS-UHFFFAOYSA-N 416.522 1.977 0 50 HDAA COc1cc(CNCc2cnn(C)c2)ccc1OC[C@@H](O)CN1CCSCC1 14960155 IBKLHRFDDRNLBG-SFHVURJKSA-N 406.552 1.507 0 50 HDAA CN(C)S(=O)(=O)c1ccc(OCC(=O)N2CCN(c3ccccc3F)CC2)cc1 16626770 WLZOIWKHTLTNSQ-UHFFFAOYSA-N 421.494 1.804 0 50 HDAA CCN1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc3nsnc23)CC1 19527801 TWLWWWAOSHHELE-AWEZNQCLSA-N 409.537 1.009 0 50 HDAA COc1ccccc1N1C(=O)C[C@@H](N2CCC(C(N)=O)(N3CCCCC3)CC2)C1=O 19809563 DZKHHEZFBBZFNF-QGZVFWFLSA-N 414.506 1.133 0 50 HDAA O=S(=O)(c1ccc(O)c(-c2nc(CCc3ccccc3)n[nH]2)c1)N1CCOCC1 67649579 BCBLGASZLUVTSQ-UHFFFAOYSA-N 414.487 1.983 0 50 HDAA COc1cccc(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N(C)Cc3nc(C)c[nH]3)[C@H]4C2=O)c1 77488615 IZZFJOKEVJZAFH-USKVXJDGSA-N 422.485 1.667 0 50 HDAA CN(C)S(=O)(=O)c1ccc(O)c(C(=O)OCC(=O)N2CCc3ccccc32)c1 170597269 SUKUNGMUCUQBJB-UHFFFAOYSA-N 404.444 1.389 0 50 HDAA COC(=O)[C@@H]1C[C@H](C(=O)OC)CCN1C(=O)[C@H]1CC(=O)N(Cc2ccc(C)cc2)C1 230233970 WEHFJFSFTUPUHU-SQNIBIBYSA-N 416.474 1.297 0 50 HDAA O=C(Cc1c(F)cccc1F)N1CCC[C@H](n2ncc(N3CC[C@H](O)C3)cc2=O)C1 328602937 DGEOVRRZHDTILE-HOCLYGCPSA-N 418.444 1.499 0 50 HDAA C[C@]1(C2CCN(S(=O)(=O)c3cccc(OC(F)(F)F)c3)CC2)NC(=O)NC1=O 487462324 OKKFMCPVFSYKAK-OAHLLOKOSA-N 421.397 1.584 0 50 HDAA O=C(Nc1ccc(C(=O)NC2CC2)cc1)C(=O)N1CCN(c2cccc(O)c2)CC1 491080619 LKXOTGKWDCQBRG-UHFFFAOYSA-N 408.458 1.572 0 50 HDAA O=C1C[C@H](C(=O)NCCNS(=O)(=O)c2ccc(Cl)cc2)C2(CCCC2)O1 952969890 KNRWMBIVEQZFLF-CQSZACIVSA-N 400.884 1.610 0 50 HDAA COc1ccc(NC2(C(=O)N3CCN4C(=O)CN(C)C(=O)[C@@H]4C3)CCCCC2)cc1 1506422978 TVAMPLKKCWWMSL-SFHVURJKSA-N 414.506 1.321 0 50 HDAA Cc1cc(O)nc2ccc(S(=O)(=O)N3CC[C@@]4(CO)CCCN(C)[C@@H]4C3)cc12 1704299276 PWYKOBDZNGWEON-UYAOXDASSA-N 405.520 1.716 0 50 HDAA COCCn1ccnc1CN1C[C@H]2CN(C3CSCCSC3)C[C@]2(CO)C1 1772708458 DCDCEELYAYRJMG-LPHOPBHVSA-N 412.625 1.104 0 50 HDAA O=C(NC[C@@H]1CN(CC2CCN(CC3CC3)CC2)C(=O)CO1)c1ccncc1F 1857675883 GVBAKLBNFDPYHF-QGZVFWFLSA-N 404.486 1.300 0 50 HDAA CN1CCN(C(=O)C(=O)N=c2ccc(C(C)(C)C)n[nH]2)[C@@H](Cc2ccccc2)C1=O 1875318125 NDVADZSIBSIJRH-INIZCTEOSA-N 409.490 1.046 0 50 HDAA CC(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)NCc1c(C)cc(=N)[nH]c1C)c1ccccc1 1875362752 RBKDJFHEAJJXCJ-PZJWPPBQSA-N 423.517 1.596 0 50 HDAA COC(=O)/C=C/C(=O)N1CCN(S(=O)(=O)c2cccc3cc(C)cnc23)CC1 1875378886 HNJXSZOXDPYQMZ-VOTSOKGWSA-N 403.460 1.105 0 50 HDAA Cn1cnc2cc(C(=O)NCCCCCNC(=O)c3cnc4c(c3)ncn4C)cnc21 2325749590 VCXGZBCWFOIOIZ-UHFFFAOYSA-N 420.477 1.580 0 50 HDAA CN(C)c1ccc(-c2ccnc(N3C[C@H]4[C@@H](N(C)C)CS(=O)(=O)[C@H]4C3)n2)cc1 2356148334 RLVIMMGGCGYKPS-WDSOQIARSA-N 401.536 1.373 0 50 HDAA O=C(NC[C@@H]1CCCO1)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl 2633368 NJFBGGMRPRWDLR-NSHDSACASA-N 423.318 1.923 0 50 HDAA COC(=O)c1ccc(CNC(=O)c2nc(CS(=O)(=O)c3ccccc3)no2)cc1 4745639 MIQDWYNIJHXDIQ-UHFFFAOYSA-N 415.427 1.760 0 50 HDAA COc1cccc(CNC(=O)CC[C@@H]2CCCN(C(=O)CCn3cnnn3)C2)c1 12576511 DRJKZMSPURRYQI-INIZCTEOSA-N 400.483 1.407 0 50 HDAA COc1ccc(C(=O)N2CCN3C(=O)[C@H](COCc4ccccc4)NC(=O)[C@H]3C2)cc1 14531836 FHKHIBXTPDCAGG-VQTJNVASSA-N 423.469 1.063 0 50 HDAA COc1ccc(CN2CCc3c(c(C(=O)NCCN4CCOCC4)nn3C)C2)cc1 14532449 DCZCGZPWDFXYDI-UHFFFAOYSA-N 413.522 1.049 0 50 HDAA CCOC(=O)c1nn(CCCc2ccccc2)c2c1CN(C(=O)[C@H]1CNC(=O)C1)CC2 14741489 MDZRGRGWGJCVNV-QGZVFWFLSA-N 424.501 1.713 0 50 HDAA CN(Cc1nc(-c2ccccc2)no1)C(=O)C[C@H]1C(=O)NCCN1Cc1ccoc1 55036560 CDJZSEWHAFBABS-KRWDZBQOSA-N 409.446 1.679 0 50 HDAA O=C(CN1C(=O)[C@H]2CCCC[C@H]2C1=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 96006148 NZBVTTOSPFJGQK-CALCHBBNSA-N 413.474 1.235 0 50 HDAA CN(C)c1ccc(Br)c(S(=O)(=O)N2CCC[C@@H]([C@@H](O)C(=O)O)C2)c1 225617550 URRQBJICBZBYMM-QMTHXVAHSA-N 421.313 1.361 0 50 HDAA O=C1[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1c1cccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)n1 239433502 XUHBJVKFPCUALP-VOZSWDDDSA-N 401.422 1.705 0 50 HDAA COc1ccc([C@@H]2N[C@H](C(=O)O)[C@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@H]32)c(OC)c1 245247528 UXCKSMMVHXDPLO-XWSJACJDSA-N 410.426 1.916 0 50 HDAA OC[C@@H]1O[C@H](Nc2ccc(-c3ccc(N[C@@H]4C[C@H](O)[C@@H](CO)O4)cc3)cc2)C[C@H]1O 245329458 ZFHIYGZRUYXRLI-ZCPXKWAGSA-N 416.474 1.114 0 50 HDAA Cc1cnn(C2CN(C(=O)[C@H]3CN(S(=O)(=O)c4ccccc4Cl)CCO3)C2)c1 253428887 RLUAJSMXCQMOBV-MRXNPFEDSA-N 424.910 1.318 0 50 HDAA Cc1cnccc1C(=O)NC[C@H]1CN(CC2CCN(CC3CC3)CC2)C(=O)CO1 299764218 QTUQPWNEHUBWNB-IBGZPJMESA-N 400.523 1.469 0 50 HDAA O=C(C[C@H]1NC(=O)c2ccccc2NC1=O)NCCn1cnc2cc(Cl)ccc21 334161198 WGHVCJYPZXICJV-MRXNPFEDSA-N 411.849 1.947 0 50 HDAA Cc1nn(Cc2ccccc2)c(C)c1[C@H]1COCCN1C(=O)COCc1nncn1C 498514737 FPWCLVCEXLGCDV-LJQANCHMSA-N 424.505 1.793 0 50 HDAA C=CC(=O)Nc1ccc(C(=O)N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)cc1 780044290 KVZGFXFSBDTPJD-KRWDZBQOSA-N 407.492 1.078 0 50 HDAA O=C(N1CC[C@@](c2nc(-c3cccc(F)c3)no2)(C(F)(F)F)C1)C1(CO)COC1 952892497 HQQQDYIZLMJWOD-QGZVFWFLSA-N 415.343 1.917 0 50 HDAA C[C@H]1NC(=O)N(c2ccccc2NC(=O)CCn2cnc3ccccc3c2=O)C1=O 952968956 QVRVKTWASYHVOD-CYBMUJFWSA-N 405.414 1.870 0 50 HDAA CCCNC(=O)c1ccc(C)c(NC(=O)C2CCN([C@H]3CCS(=O)(=O)C3)CC2)c1 1506405369 ZWBJDIDMMADRHZ-SFHVURJKSA-N 421.563 1.972 0 50 HDAA CCc1nnc(N2C[C@H](C(=O)N3CCCN(C(=O)C4CCC4)CC3)CC2=O)s1 1857719401 LREUCKYUYUHCGQ-CQSZACIVSA-N 405.524 1.314 0 50 HDAA CNCc1ccc(CNC(=O)[C@H]2CCCN2C(=O)[C@@H](NC(C)=O)c2ccccc2)cc1 2325869590 VEDOBDPFKZDZEN-YADHBBJMSA-N 422.529 1.891 0 50 HDAA COCCN(CC1CCN(Cc2ccccc2F)CC1)C(=O)CN1CCOC1=O 12581185 UCCRRIZTECAHDG-UHFFFAOYSA-N 407.486 1.965 0 50 HDAA CCCn1nc(C(=O)N2CCCCC2)c2c1CC[C@H](N1CCN(C(C)=O)CC1)C2 14731509 FFUXWARSNWBDFT-SFHVURJKSA-N 401.555 1.941 0 50 HDAA Cn1nc(C(=O)N2CCCCCC2)c2c1CC[C@@H](NCC(C)(C)N1CCOCC1)C2 23353442 KQQWFCHIGZEYFZ-GOSISDBHSA-N 417.598 1.994 0 50 HDAA COc1ccccc1/C=C/CN1CCNC(=O)[C@H]1CC(=O)NCCc1ccccn1 55088308 HXJPAGVPYBYCHD-CPSHHHPTSA-N 408.502 1.653 0 50 HDAA O=C(c1cscn1)N1CCc2cc(S(=O)(=O)NC[C@@H]3CCCO3)ccc2C1 77505005 YGJFJJWNPJRAQW-HNNXBMFYSA-N 407.517 1.799 0 50 HDAA CCn1cnnc1CN(C)C(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(C4CCCCCC4)C(=O)[C@@H]13)O2 77521659 XQGYFMXDJJNPHI-UYZIEWPDSA-N 413.522 1.761 0 50 HDAA CCCCN1CCN([C@@H](C(=O)NCc2cc(C)nn2C)c2ccccc2)C(=O)C1=O 77542385 PSFZRFUTKGWGAM-LJQANCHMSA-N 411.506 1.557 0 50 HDAA CC(C)(N)C(=O)N1CCC(N2CCC[C@@H](C(=O)NCCc3ccccc3)C2)CC1 82098544 AJLIWWZEWDIVFB-LJQANCHMSA-N 400.567 1.786 0 50 HDAA C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(c2cc(N3CCN(C)C(=O)C3)ncn2)C1 170599640 VHRGIXFSXMHQOF-CVEARBPZSA-N 418.542 1.885 0 50 HDAA CCOC(=O)[C@@H](NC(=O)[C@@H](C)NC(C)=O)c1c(C)nn(Cc2ccccc2)c1C 170614376 ABIHMRNJBGDGOK-KUHUBIRLSA-N 400.479 1.793 0 50 HDAA COC(=O)c1cnc(O)c([C@@H](CC(N)=O)c2cc(OC)c3c(c2)OCCO3)c1O 253623909 SMABRDWPVMEUAF-JTQLQIEISA-N 404.375 1.067 0 50 HDAA biogenic Cn1ccnc1CCN1CCC(N2C[C@H](COc3ccc(F)cc3)OCC2=O)CC1 299756021 AMGMXHICCYIJJT-HXUWFJFHSA-N 416.497 1.873 0 50 HDAA Cc1ccn(CC(=O)N2CCC3(CCc4c(O)nc(N5CCOCC5)nc43)CC2)n1 1857724997 ILZRLBDVMYMCLZ-UHFFFAOYSA-N 412.494 1.030 0 50 HDAA Cc1cc(-c2cc(S(=O)(=O)N3C[C@@H]4[C@H](CO)[C@H]5CC[C@]4(C3)O5)c(C)s2)n[nH]1 1857730077 XWNLNVZUZIBFPD-YRWGSWDYSA-N 409.533 1.915 0 50 HDAA Cc1cnn(-c2ccc(C(N)=O)cc2NC(=O)Cn2nc(C)c3ccccc3c2=O)c1 1875258009 CWCPLPCBMXEOLW-UHFFFAOYSA-N 416.441 1.937 0 50 HDAA COc1nn(C)cc1C(=O)N[C@@H]1CCCN(C(=O)[C@@H]2OCC[C@@H]2c2ccccc2)C1 2325839256 NKQVATTVOKNEPO-ZHALLVOQSA-N 412.490 1.722 0 50 HDAA C=CC(=O)N1CCC[C@@H](C(=O)N[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)C1 2325889290 IRZKXHUMAKUWCQ-HUUCEWRRSA-N 411.549 1.442 0 50 HDAA O=C1CC[C@H](N2Cc3ccc(CNC(=O)OCC45CC(F)(C4)C5)cc3C2=O)C(=O)N1 2325901012 QKNDVFNRNSXBRW-VUZGARFFSA-N 415.421 1.566 0 50 HDAA COc1cc(CN(CCO)CCO)ccc1OC[C@H](O)CN1CCCCCCC1 11768207 OAXZHLYRELWHEL-HXUWFJFHSA-N 410.555 1.488 0 50 HDAA Cc1ccn(CC(=O)N2CC[C@@H](N3CCN(c4ccccc4F)CC3)[C@H](O)C2)n1 20272256 LKXMLBKBRDSWNQ-WOJBJXKFSA-N 401.486 1.115 0 50 HDAA O=C(CCn1nnnc1CN1CCOCC1)N1CCCC[C@H]1c1ccc(F)cc1 23367536 IIEYUAWFPHWAPS-SFHVURJKSA-N 402.474 1.788 0 50 HDAA Cc1ccc(CCN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N(C)Cc3ccno3)[C@@H]4C2=O)cc1 77287304 DAXCYPBCKRLDGF-VAWZGJIGSA-N 407.470 1.966 0 50 HDAA Cc1c[nH]c(CN(C)C(=O)[C@H]2[C@@H]3C=C[C@@]4(CN(Cc5ccc(F)cc5)C(=O)[C@H]24)O3)n1 77390508 NTCDVWSTWZKJSU-FUOQNJDISA-N 410.449 1.798 0 50 HDAA Cn1cccc1C(=O)N1CCc2cc(S(=O)(=O)NC[C@H]3CCCO3)ccc2C1 77408103 DZABTRUNRSPABB-QGZVFWFLSA-N 403.504 1.681 0 50 HDAA CCc1nnc(CN(C)C(=O)[C@H]2[C@@H]3C=C[C@@]4(CN(c5ccc(F)cc5)C(=O)[C@H]24)O3)o1 77456614 ADBUETMCDNZLBO-YRFFXBIPSA-N 412.421 1.716 0 50 HDAA NC(=O)C1(NC(=O)[C@@H]2CCCN(C3CCN(Cc4cccnc4)CC3)C2)CCCC1 82096841 GQNLZWCYSUEQCT-LJQANCHMSA-N 413.566 1.672 0 50 HDAA C[C@H](O)CN(C(=O)Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)[C@H](C)CO 225516573 OGBJZCUYUNUGDS-CABCVRRESA-N 424.494 1.759 0 50 HDAA Cc1ccc(S(=O)(=O)NC(=O)CSc2nnc(-c3ccccn3)n2C)cc1 253400952 CZOBMOFMFYEQPG-UHFFFAOYSA-N 403.489 1.783 0 50 HDAA Cc1ccn(CC(=O)NC[C@H]2[C@H]3CN(C(=O)c4cc(C)oc4C)C[C@]34CC[C@H]2O4)n1 1704298842 FAAKEKCOKJZSOP-JZJXAQOMSA-N 412.490 1.837 0 50 HDAA COc1ccccc1Cc1nc(C[C@H]2C(=O)N(C)C(=O)N2C)n(-c2cnn(C)c2)n1 1772819352 KCGJEIBSLGGCRU-HNNXBMFYSA-N 409.450 1.035 0 50 HDAA CN(C)c1nc2c(c(=N[C@@H]3CC[C@H](O)C3)[nH]1)CCC21CCN(Cc2ncc[nH]2)CC1 1857706823 RUGPXWKCVXYXBH-CVEARBPZSA-N 411.554 1.493 0 50 HDAA Cc1cccc(-c2noc(CCCC(=O)N[C@@H]3C[C@H]4CO[C@@H](CCO)CN4C3)n2)c1 1857713298 UGQMEHGXHJDWGY-QYZOEREBSA-N 414.506 1.708 0 50 HDAA C=CC(=O)N1CCC[C@@H](C(=O)N(C)CC(=O)N2c3ccccc3NC(=O)C[C@H]2C)C1 1875371521 DPFZJQXYNBGWQE-HZPDHXFCSA-N 412.490 1.633 0 50 HDAA COc1ccccc1N1CCN(C(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)CC1 894167 MQVYJWZAUADPAL-UHFFFAOYSA-N 421.494 1.949 0 50 HDAA C[C@@H]1C[C@@H](C(=O)NC[C@H]2CCC3(CCN(Cc4ccccc4)CC3)O2)NC(=S)N1 12135355 WGAWWYNMXBYBJU-QRQLOZEOSA-N 416.591 1.941 0 50 HDAA CCOC(=O)c1cc(C2CC2)nc2c1c(=O)n(CC(=O)Nc1ccccc1)c(=O)n2C 12410763 OXSVIUHSVGKTPZ-UHFFFAOYSA-N 422.441 1.788 0 50 HDAA O=C(N[C@H]1C[C@H]2C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N2C1)c1sccc1Cl 14752491 BPYMAMXCTHLWLN-CQDKDKBSSA-N 419.890 1.548 0 50 HDAA O=C(C[C@@H]1C(=O)NCCN1Cc1cccc(C(F)(F)F)c1)NCCN1CCCC1 19850211 DEVCLXXWTHYGRA-QGZVFWFLSA-N 412.456 1.608 0 50 HDAA CN1CCN(S(=O)(=O)c2cc(C(=O)NC[C@@H]3CCCO3)ccc2Cl)CC1 72140568 URJLINXODABNLL-AWEZNQCLSA-N 401.916 1.185 0 50 HDAA CCC(CC)CN1C[C@]23C=C[C@H](O2)[C@H](C(=O)N2CC(Oc4cccnc4)C2)[C@H]3C1=O 77439893 FWSMPZAHOMPPEE-MXBUBSDBSA-N 411.502 1.889 0 50 HDAA COc1cccc(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N(C)Cc3nc(C)c[nH]3)[C@@H]4C2=O)c1 77488622 IZZFJOKEVJZAFH-YPIYEQTHSA-N 422.485 1.667 0 50 HDAA Cc1nccnc1N1CCC2(CC1)CN(CCCN1CCN(C(C)C)CC1)C(=O)O2 77520842 SPECNZADFMPWDS-UHFFFAOYSA-N 416.570 1.992 0 50 HDAA C[C@@H](Cn1cncn1)NS(=O)(=O)[C@@H]1CCCN(C(=O)c2cccc(Cl)c2)C1 170593698 BHHCNDWKKPTFCU-XJKSGUPXSA-N 411.915 1.544 0 50 HDAA COc1ccc(-c2cn(CC(=O)N[C@H](Cc3ccccc3)C(=O)O)c(=O)cn2)cc1 218265544 FRKYRNVRGWJJSD-GOSISDBHSA-N 407.426 1.731 0 50 HDAA CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCCS(C)(=O)=O)o2)c1 225488625 HUERMOWLZKTXNV-UHFFFAOYSA-N 419.550 1.904 0 50 HDAA COc1ccc(OC)c2c1[C@H]1[C@@H]3[C@@H]4[C@@H]3[C@@H]3[C@]15C=C[C@@H](n1[nH]c(=O)n(C)c1=O)C[C@]35[C@@H]24 248041091 OGQGXENRZAODAB-CWLQWTRFSA-N 405.454 1.766 0 50 HDAA CC[C@H](C)[C@H](CO)NC(=O)CC[C@H]1N=C(O)N(Cc2ccc(OC)c(OC)c2)C1=O 252538972 NOSGGHBIEWKMEN-IMJJTQAJSA-N 421.494 1.632 0 50 HDAA O=C(Cc1ccc(F)cc1)NC[C@@H]1CN(C2CCN(C3CCC3)CC2)C(=O)CO1 299782037 MDALSTHEYJCABF-HXUWFJFHSA-N 403.498 1.729 0 50 HDAA CN1Cc2ccccc2C[C@@H]1CN(C)S(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C 952971407 JAFPKUODDRMZFW-QGZVFWFLSA-N 414.531 1.554 0 50 HDAA N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(OCC(=O)N2CCOCC2)cc1 952975622 WQWZDMXTIFVTQP-FQEVSTJZSA-N 422.485 1.914 0 50 HDAA Cc1cc(=O)n(CCN2CCCN(C(=O)COc3ccccc3C)CC2)c(O)n1 1529144194 RLCCGVGHWJCEEX-UHFFFAOYSA-N 400.479 1.179 0 50 HDAA CN(C)S(=O)(=O)C[C@H]1CN(Cc2c(-c3ccccc3)nc3ncccn23)C[C@@H]1O 1616080549 RLFGKIZSCIJCKC-AEFFLSMTSA-N 415.519 1.080 0 50 HDAA O=C(C1CCOCC1)N1C[C@H]2CN(c3nccc(C(F)(F)F)n3)C[C@@]2(CO)C1 1772813095 VRHCDAOQEGCKOS-SUMWQHHRSA-N 400.401 1.179 0 50 HDAA CC(C)c1ccc(CN2CC[C@@H](O)[C@]3(CCCN(C(=O)Cn4cnnn4)C3)C2)cc1 1857682711 ZFAZSXJRISAJAI-IFMALSPDSA-N 412.538 1.672 0 50 HDAA CC(C)S(=O)(=O)N1C[C@@H]2COC[C@]2(C(=O)NCCc2c[nH]c3ccccc23)C1 1857689397 CIBKIHXDRBNYIZ-OXQOHEQNSA-N 405.520 1.513 0 50 HDAA CC(C)CNC(=O)[C@@]12CC[C@H](N3CCOCC3)C[C@H]1CCN(C(=O)c1ccon1)C2 1857697540 XUOHONAQQRQXBJ-KGVIQGDOSA-N 418.538 1.780 0 50 HDAA C[C@H](NS(=O)(=O)c1ccc(NC[C@]2(CO)CCOC2)c(F)c1)C1CCOCC1 1875342679 CGPBZXKARYZUDP-LIRRHRJNSA-N 416.515 1.730 0 50 HDAA CCn1cnnc1CN1CCCNC(=O)CC[C@@H](c2ccccc2)CCNC(=O)C1 2100533228 GTLQVCIWXMOZCU-LJQANCHMSA-N 412.538 1.690 0 50 HDAA O=C(CN1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O)N1CCOCC1 1123094 PUAWBTKURBGXDX-UJKMTWAASA-N 402.450 1.737 0 50 HDAA CCOC(=O)N1CCN(C(=O)[C@@H](C)N(c2cc(C)cc(C)c2)S(C)(=O)=O)CC1 2884728 KCIFVMHPPCEZCC-MRXNPFEDSA-N 411.524 1.759 0 50 HDAA CC(C)C(=O)O[C@@H]1C[C@@H](n2ccc(NC(=O)c3ccccc3)nc2=O)O[C@@H]1CO 4619028 MQAQCZHMPJARFY-INMHGKMJSA-N 401.419 1.343 0 50 HDAA CC(=O)OC(OC(C)=O)[C@@]12C=C[C@@H](O1)[C@H]1C(=O)N(c3cc(Cl)ccc3C)C(=O)[C@H]12 9355941 CKCPYUOCXXQMIH-DICRZQGBSA-N 419.817 1.914 0 50 HDAA CC(C)C[C@H](NCc1c(C(=O)N2C[C@H](C)O[C@H](C)C2)nc2sccn12)C(N)=O 15074717 ZHAKOSHNUYOWOJ-MJBXVCDLSA-N 407.540 1.635 0 50 HDAA Cc1ccc(Cl)cc1N1CCN(Cc2nc3c([nH]2)c(=O)n(C)c(=O)n3C)CC1 55562811 SJGRHCKEQLTGDV-UHFFFAOYSA-N 402.886 1.244 0 50 HDAA CCn1cnnc1CN(C)C(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(c4ccc(F)cc4)C(=O)[C@H]13)O2 77378793 HDQNCZUECGZUHE-DKXUYOFUSA-N 411.437 1.382 0 50 HDAA O=C1[C@@H]2CC=CC[C@H]2C(=O)N1CC(=O)N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1 229383919 AOQFPKIJRZNGLJ-BRWVUGGUSA-N 402.472 1.158 0 50 HDAA O=C(Cn1nc(-c2cccs2)ccc1=O)N1C[C@@H]2C[C@@H](C1)[C@H]1CCCC(=O)N1C2 888088410 XTMAETCPHGYFQI-YQQAZPJKSA-N 412.515 1.831 0 50 HDAA Cc1oc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)N1CCN(CCO)CC1 952962510 FWGHAGUEEPUXFD-UHFFFAOYSA-N 409.386 1.560 0 50 HDAA Cc1ncnc(N2CCN(C(=O)CCCn3cnc4ccccc4c3=O)CC2)c1C 952986455 ZVOFHKUWZHCXQT-UHFFFAOYSA-N 406.490 1.932 0 50 HDAA Cc1cc(C(F)(F)F)n2nc(C(=O)N3C[C@@H](O)[C@H](Cc4cnccn4)C3)cc2n1 1857717067 LVSMNGRGZBYYEJ-BXUZGUMPSA-N 406.368 1.522 0 50 HDAA Cn1cnc2nc(N3Cc4nnc(C5CCOCC5)n4[C@H](Cc4cnc[nH]4)C3)ncc21 2356168916 HNNJAJTZFJXLJG-OAHLLOKOSA-N 420.481 1.376 0 50 HDAA O=C(C1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1)N1CCOCC1 2998789 IQRBSISQYQTWSR-UHFFFAOYSA-N 417.325 1.709 0 50 HDAA COCCN1C(=O)C[C@@](CC(=O)N2CCC[C@H](OC)C2)(c2ccccc2OC)C1=O 11971102 POSOAJKILKXAEI-AOMKIAJQSA-N 418.490 1.366 0 50 HDAA COc1ccccc1OC1CCN(C(=O)Cn2nnnc2CN(C)C(C)C)CC1 15065143 DCWRNSKPQULKDY-UHFFFAOYSA-N 402.499 1.592 0 50 HDAA COc1ccc(CN2CCc3nnc(CNC(=O)c4ccccn4)n3CC2)c(OC)c1 23337529 NVPMQVZINXDHOE-UHFFFAOYSA-N 422.489 1.679 0 50 HDAA O=C(NCc1cccnc1)[C@@H]1CCCN(C2CCN(C(=O)c3cccnn3)CC2)C1 71751209 ISQRIFOEQVZOGX-GOSISDBHSA-N 408.506 1.505 0 50 HDAA CN(CCc1cnn(C)c1)C(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(Cc4ccc(F)cc4)C(=O)[C@@H]13)O2 77406951 OCACXMJZMSKDIN-GJPOJAMWSA-N 424.476 1.542 0 50 HDAA COc1cc(N2CCC(N3CCC[C@H](C(=O)NCc4cccnc4)C3)CC2)ncn1 82087363 AOWQSDMBPWSWRK-SFHVURJKSA-N 410.522 1.877 0 50 HDAA COc1cc(C(=O)N[C@H](C)Cn2cncn2)ccc1OC1CCN(C(C)=O)CC1 95526683 BGEXHCKXPGMROO-CQSZACIVSA-N 401.467 1.495 0 50 HDAA O=c1c(Cl)c(N2CC[C@@H](CO)[C@H](O)C2)cnn1-c1ccc(C(F)(F)F)cn1 170613065 RMCIGXNUIHHTIK-JOYOIKCWSA-N 404.776 1.479 0 50 HDAA CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)[C@H]1CCN(c2cc(C)nn2C)C1=O 170646227 FDUUXPUZQKKOPG-SFHVURJKSA-N 412.494 1.753 0 50 HDAA NC(=O)CC[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]12 245246078 HJTRJQIINHODFY-FCQWJQKHSA-N 422.416 1.016 0 50 HDAA Cc1sc2nc(CCNC(=O)[C@H](c3ccccc3)n3cnnn3)nc(O)c2c1C 828400555 PJGRNWBGAYCALW-INIZCTEOSA-N 409.475 1.949 0 50 HDAA Cn1c(C(=O)N2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)cc(=O)n(C)c1=O 828407451 OVLWUEWTNKTJHA-UHFFFAOYSA-N 411.380 1.227 0 50 HDAA CS(=O)(=O)c1cccc(C(=O)N2CCC[C@H](CNC(=O)c3cnccn3)C2)c1 952973451 IXZJALLGDQAHPF-CQSZACIVSA-N 402.476 1.162 0 50 HDAA O=C(CCCc1nc(-c2ccncc2)no1)N1CC[C@H](O)[C@](CC2CC2)(C(=O)O)C1 1875244427 JSWJVGRSJRMJLR-HRAATJIYSA-N 414.462 1.919 0 50 HDAA CN1CCO[C@@H](C(=O)NCc2cc(CNC(=O)Cc3ccc(F)cc3)ccn2)C1 2100555206 MYRJUUCOHQFEAG-LJQANCHMSA-N 400.454 1.026 0 50 HDAA C[C@@H](NC[C@H](O)COCc1ccc2c(c1)OCO2)c1ccc2c(c1)NC(=O)CO2 2325723186 CNGQUDDLOOBMAP-CJNGLKHVSA-N 400.431 1.975 0 50 HDAA COC(=O)CSc1nc2ccc(NC(=O)CSc3nnnn3C)cc2s1 2979883 SOJBLGIBTBJBEH-UHFFFAOYSA-N 410.506 1.816 0 50 HDAA CCCn1nc(C(=O)N2CCSCC2)c2c1CC[C@H](NCCC(=O)OCC)C2 14534546 BEZCOKDDXVXDAV-HNNXBMFYSA-N 408.568 1.882 0 50 HDAA CN(CC(=O)NCCCN1CCOCC1)S(=O)(=O)c1cc(Cl)ccc1Cl 15919294 VFPNFGHTKZZFIB-UHFFFAOYSA-N 424.350 1.452 0 50 HDAA O=C(CCCn1nnnc1CN1CCOCC1)N[C@H](Cn1ccnc1)c1ccccc1 20450354 BFXVFQHWBMRZMU-LJQANCHMSA-N 424.509 1.040 0 50 HDAA O=C(C[C@@]1(O)C(=O)N(CN2CCOCC2)c2ccccc21)c1ccc2c(c1)OCO2 20639605 DUNNUCWLWRQXJG-QFIPXVFZSA-N 410.426 1.512 0 50 HDAA Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NCCCN1CCN(C)CC1 20819530 JZKGOTHQFGIJLE-UHFFFAOYSA-N 422.595 1.537 0 50 HDAA COc1ccc(CNCCN2CCCCC2)c(OC[C@H](O)CN2CCN(C)CC2)c1 22919866 MUYLONDQDLTEKF-OAQYLSRUSA-N 420.598 1.258 0 50 HDAA CCn1ncc(C(=O)N2CCC3(CC2)c2nc[nH]c2CCN3C(=O)COC)c1C 95520940 HTLBZWCSYODRGU-UHFFFAOYSA-N 400.483 1.097 0 50 HDAA COc1ccc(C(=O)NC2CCN(C(=O)c3cc4c(=O)[nH]c(C)cn4n3)CC2)c(C)c1 169777009 JZMXMSBYHOWKKX-UHFFFAOYSA-N 423.473 1.683 0 50 HDAA CC(=O)OC(OC(C)=O)[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@H]12 239038728 DUECSTKKGGSZIQ-QZNHQWIBSA-N 405.790 1.605 0 50 HDAA C[C@H]1CCC[C@@H](C)[C@@H]1NS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 241837552 SKZVOLADBPYCEG-HWWDLCQESA-N 416.565 1.811 0 50 HDAA C[C@H](OC(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1)c1cnc(C2OCCO2)s1 252509943 YYWCMKAQNSBTGP-SMDDNHRTSA-N 416.459 1.913 0 50 HDAA CC(C)CC(=O)N[C@H](CC(N)=O)C(=O)NCc1ccc(OCC(F)(F)F)cc1 253417838 OFIIYIFALJGNDD-CQSZACIVSA-N 403.401 1.650 0 50 HDAA COC(=O)c1cc(Cn2c(=O)oc3cc(S(=O)(=O)CCO)ccc32)c(C)s1 253419162 KAUSBDKCHNUALD-UHFFFAOYSA-N 411.457 1.565 0 50 HDAA Cc1nccn1CCCN(C)C(=O)[C@@H]1CN(Cc2nc(O)c3ccccc3n2)CCO1 437493591 LAOZAGVQVPCSFF-IBGZPJMESA-N 424.505 1.590 0 50 HDAA CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=S)N[C@@H]2CCC(=O)N(C)C2)c1 737458995 JEHMYULGIVEMMU-CQSZACIVSA-N 412.581 1.933 0 50 HDAA Cc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NCc2nc(-c3ccccn3)no2)o1 827801698 ODSRKKCXZZOGGC-INIZCTEOSA-N 410.434 1.040 0 50 HDAA CCOC(=O)[C@@]12CC[C@H](N3CCOCC3)C[C@H]1CCN(C(=O)c1[nH]c(=N)[nH]c1C)C2 1857685729 RDJOCGUBXPIGDJ-VWKPWSFCSA-N 419.526 1.027 0 50 HDAA CC(C)(C)C(=O)NC[C@H]1[C@H]2CN(c3cc(NC4CC4)[nH]c(=N)n3)C[C@]23CC[C@H]1O3 1875251503 PVHAYCCVCADQAK-WPLACJGDSA-N 400.527 1.610 0 50 HDAA O=C1NCCN(C(=O)CCn2nc(O)c3ccccc3c2=O)[C@@H]1Cc1ccccc1 2325733333 HCOUSHSDXRTZLS-GOSISDBHSA-N 406.442 1.062 0 50 HDAA C[C@@H](NS(=O)(=O)c1ccc(F)cc1)c1nc(-c2ccc(CC(N)=O)cc2)no1 2325736306 DHXANOHFWDEDQD-LLVKDONJSA-N 404.423 1.943 0 50 HDAA CCN1C[C@H](C(=O)N2CCCC[C@H](NC(=O)c3ccc(O)c(OC)c3)C2)CCC1=O 2325864629 ULBZGXZMJUBJLB-SJORKVTESA-N 417.506 1.770 0 50 HDAA CC(C)(C)c1cnc(C(=O)NCc2ccc3c(c2)C(=O)N([C@@H]2CCC(=O)NC2=O)C3)o1 2325886883 MRZLXUHKTDSWEW-OAHLLOKOSA-N 424.457 1.663 0 50 HDAA COc1cccc(CN2CCNC(=O)[C@H]2CC(=O)N2CCC(OC)CC2)c1OC 12315154 PNUDQCDCTOJSEE-QGZVFWFLSA-N 405.495 1.032 0 50 HDAA NC(=O)NCC(=O)N1CC(=O)N(C2CCCCC2)C[C@@H](OCc2ccccc2)C1 14537485 CVFCHNMLWYMHKU-SFHVURJKSA-N 402.495 1.244 0 50 HDAA COC(=O)c1ccc(CNC(=O)Cn2nnnc2CN2CCc3ccccc3C2)cc1 20387491 FIVIENOGKUGELP-UHFFFAOYSA-N 420.473 1.334 0 50 HDAA CCCCn1c(CN2CCCN(c3ncccn3)CC2)cnc1S(=O)(=O)CC 20598931 XPJCHCFSGJDGLC-UHFFFAOYSA-N 406.556 1.979 0 50 HDAA Cc1c(-c2cc(-c3cnn(C)c3C)n(CC(=O)N(C)Cc3ccn(C)n3)n2)cnn1C 20617831 YVACDISSLBJWJP-UHFFFAOYSA-N 421.509 1.693 0 50 HDAA Cc1cc(C)n2c(C(=O)NCCNS(=O)(=O)c3ccc(Cl)cc3)nnc2n1 55089750 XSNFXAQQNXTKRI-UHFFFAOYSA-N 408.871 1.103 0 50 HDAA CCN1CCNC(=O)[C@H]1CC(=O)Nc1nnc(CCOc2ccc(C)cc2)s1 55308863 FHFYUOLBGYXJLC-OAHLLOKOSA-N 403.508 1.617 0 50 HDAA COc1ccc2nc(CCNC(=O)[C@H]3Cc4ccccc4S(=O)(=O)N3)[nH]c2c1 215171202 SSZADQFNYWKQKJ-MRXNPFEDSA-N 400.460 1.133 0 50 HDAA O=C(CCCC[C@@H]1SC[C@H]2NC(=O)N[C@H]21)NCc1ccc(-c2nncnn2)cc1 215868455 GBJXXSUDJUYIIH-HLLBOEOZSA-N 413.507 1.276 0 50 HDAA O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]2C(=O)N1c1nccs1)[C@H]1C(=O)N(c2nccs2)C(=O)[C@H]31 244933338 CMPOSIGUSGELIZ-IXXAWXHISA-N 412.452 1.327 0 50 HDAA O=C(C[C@H]1N=C(O)N(Cc2ccccc2)C1=O)Nc1ccc(Cn2cncn2)cc1 252536394 ILNUWVYQWGUFNX-GOSISDBHSA-N 404.430 1.980 0 50 HDAA Cc1noc(C)c1CN1CCc2c(C(=O)N[C@@H]3C[C@@H](CO)N(C)C3)csc2C1 426627896 ZTHREALJOXLJEZ-CABCVRRESA-N 404.536 1.706 0 50 HDAA COC(=O)c1cc(NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)OCc2ccccc2)cn1C 749447476 GPYZUZGIBUWUDN-CVEARBPZSA-N 401.419 1.522 0 50 HDAA CCc1c(C)sc2ncnc(N3CCC[C@@H](CNC(=O)Cn4cnnn4)C3)c12 952860187 HKLANBRORBRHGP-ZDUSSCGKSA-N 400.512 1.581 0 50 HDAA CC(C)(C)C(=O)N[C@]1(C)CCOC2(CCN(C(=O)c3ccncc3F)CC2)[C@H]1O 1704304915 JDSAAVWMCUVVNP-FXAWDEMLSA-N 407.486 1.898 0 50 HDAA O=C(O)[C@H]1CN(C(=O)c2ccc(C(=O)N3CCOCC3)cc2)CC12CCOCC2 1857704960 MJYFZLVESLBKRB-QGZVFWFLSA-N 402.447 1.112 0 50 HDAA COCCN=c1[nH]c(CC(=O)N2C[C@@H](CC(=O)OC)CC23CCOCC3)cs1 1875353580 YNULJAJYRZYTCS-AWEZNQCLSA-N 411.524 1.127 0 50 HDAA Oc1nc(N2CCOCC2)nc2c1CCC21CCN(c2cncc3nccn23)CC1 2100540091 CRACSWUJRCXRHW-UHFFFAOYSA-N 407.478 1.546 0 50 HDAA CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)NC(C)=O)cc2)cc1 2311996 NOIUZXUEGCOAEW-UHFFFAOYSA-N 411.461 1.271 0 50 HDAA CCOC(=O)[C@@H]1[C@@H](c2ccc(O)c(OCC)c2)NC(=S)N[C@@]1(O)C(F)(F)F 13482808 BXEOZHQTYFFOSS-ZOWXZIJZSA-N 408.398 1.740 0 50 HDAA COCCCNC(=O)[C@@H]1C[C@H](COc2ccc(C)nc2)CN(Cc2nccn2C)C1 14747882 YXQOJMYYYBPIEI-RBUKOAKNSA-N 415.538 1.793 0 50 HDAA COC(=O)[C@H]1CCCCN1C(=O)c1c(OC)cc(=O)n2c1CCN(CC1CC1)CC2 14881656 YJVVYMSBJHTYFY-QGZVFWFLSA-N 417.506 1.293 0 50 HDAA COc1ccc(Cn2c(=O)c3ccccc3n(CCCN3CCN(C)CC3)c2=O)cc1 19892520 ASKXALZVJPESAE-UHFFFAOYSA-N 422.529 1.858 0 50 HDAA CS(=O)(=O)N1CCC(C(=O)Nc2ccccc2C(=O)NCc2ccco2)CC1 39539645 XDMZVENMQUNLRJ-UHFFFAOYSA-N 405.476 1.820 0 50 HDAA Cc1ccn(-c2cc(N3CCN(S(=O)(=O)c4ccc(F)c(F)c4)CC3)ncn2)n1 72442385 GEDCPSYTDHPPHI-UHFFFAOYSA-N 420.445 1.760 0 50 HDAA Cn1cccc1C(=O)N1CCc2cc(S(=O)(=O)NC[C@@H]3CCCO3)ccc2C1 77408102 DZABTRUNRSPABB-KRWDZBQOSA-N 403.504 1.681 0 50 HDAA Cc1ccc(-c2nnc(CN3CC[C@H]4[C@H](CCC(=O)N4CCCCO)C3)o2)n1C 212579356 VQSOXUCMMLNISA-SJORKVTESA-N 401.511 1.969 0 50 HDAA CC(=O)NCc1ccc(S(=O)(=O)N2CCCC[C@H]2[C@@H](O)C(F)(F)F)s1 221987328 YJKPCDOBCUJJET-WCQYABFASA-N 400.444 1.851 0 50 HDAA Cc1cc(C)n(C[C@H]2CCCO2)c(=O)c1C(=O)NCCn1c(CO)nc2ccccc21 253412807 SCLOESUBRZCVSG-QGZVFWFLSA-N 424.501 1.916 0 50 HDAA COc1ccc(C(=O)N2CCc3nn(Cc4ccccc4)c(=O)cc3C2)c(OC)n1 263616281 HWTHTOQVQSEGPI-UHFFFAOYSA-N 406.442 1.902 0 50 HDAA CC(C)N(C)C(=O)CN1CCC(N2C[C@H](COc3ccc(F)cc3)OCC2=O)CC1 299797466 OHPVPANARAAAPU-HXUWFJFHSA-N 421.513 1.763 0 50 HDAA CN(Cc1ccsc1)C(=O)Cn1nnnc1[C@@H](c1ccccc1)N1CCOCC1 426707444 PVZIUIMCZDPDFR-LJQANCHMSA-N 412.519 1.815 0 50 HDAA CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)C[C@H]1CN(Cc2ccccc2)CCO1 468503077 WPJFNCQFFSUVBO-OALUTQOASA-N 409.552 1.208 0 50 HDAA CN(C[C@H](O)CN1CCOCC1)C(=O)c1cc(-c2ccc(Br)cc2)[nH]n1 478370295 MJMGHSVSDPMMAX-HNNXBMFYSA-N 423.311 1.604 0 50 HDAA CC[C@@H](C)N(C)C(=O)C1CC2(C1)C[C@@H](NC(=O)c1cc(C)on1)CCS2(=O)=O 952876327 MOMZPVOUOJZAOK-SDCIJKEOSA-N 411.524 1.696 0 50 HDAA C[C@]1(c2cccc(CNC(=O)[C@@H]3CC(=O)N(c4ccccc4)C3)c2)NC(=O)NC1=O 1338241740 KLFKXCJFOOLSJO-IVZQSRNASA-N 406.442 1.411 0 50 HDAA COCC1CCN(S(=O)(=O)NC[C@@H]2CCC[C@H](NC(=O)c3ccc[nH]3)C2)CC1 1857672936 JXBKECUCFUSHHG-SJORKVTESA-N 412.556 1.496 0 50 HDAA CC(C)C[C@@H]1[C@H](C(=O)N(C)Cc2ncc[nH]2)C[C@@H]2CN(c3ncccn3)CC(=O)N21 1857690723 QFTRXKHEQPFHBJ-BRWVUGGUSA-N 411.510 1.310 0 50 HDAA CCCO[C@@H]1CC[C@H](C(=O)NCCc2ccncc2)C[C@H]1NC(=O)c1cnn[nH]1 2100534305 CCEHLIDWHIUTMH-LZLYRXPVSA-N 400.483 1.252 0 50 HDAA Cc1cccc([C@H](C)C(=O)N[C@H]2CCN(C(=O)c3nc(O)sc3C)C[C@@H]2O)c1 2325841154 GJXMPVVIPPVIOZ-RCBQFDQVSA-N 403.504 1.961 0 50 HDAA CCN1C[C@@H](C(=O)N2CCCC[C@@H](NC(=O)c3cccc(CO)c3)C2)CCC1=O 2325864701 XHJIKBBENOCURJ-RBUKOAKNSA-N 401.507 1.548 0 50 HDAA O=C1CC[C@H](N2Cc3cc(C(=O)NCc4cccc(C(=O)O)c4)ccc3C2=O)C(=O)N1 2325896296 VSZXFENSBXQEEN-KRWDZBQOSA-N 421.409 1.076 0 50 HDAA CC[C@@]12COC(=O)N1CCN(C(=O)c1cc3c(s1)C1(CCNCC1)OCC3)C2 2356142755 FZAYRSCMGYPCPN-LJQANCHMSA-N 405.520 1.956 0 50 HDAA Cc1cc(Br)ccc1NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 851797 YGFCMBUMBJOKQW-UHFFFAOYSA-N 406.240 1.143 0 50 HDAA biogenic COc1ccc(CCNC(=O)C2CCN(S(=O)(=O)c3cn(C)nc3C)CC2)cc1 4760980 RMKLMGOQINUCMX-UHFFFAOYSA-N 420.535 1.497 0 50 HDAA C[C@H](NC(=O)COc1ccccc1)c1nnc2n1CCN(Cc1ccccn1)CC2 11791489 NAVBVHKHBZMKAJ-KRWDZBQOSA-N 406.490 1.988 0 50 HDAA COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)N(C)Cc2cc(C)no2)c(C)c1C 12073274 WWDXKNUXPQPSIM-LJQANCHMSA-N 414.506 1.958 0 50 HDAA Cc1cccc(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N(C)Cc3ccncn3)[C@@H]4C2=O)c1 77337099 RTKJTELCCRZSLG-GJPOJAMWSA-N 404.470 1.726 0 50 HDAA CN(C)CC(=O)N1CCc2ccc(S(=O)(=O)N(C)Cc3nccs3)cc2C1 77389928 PUPCFTKMVRKUBV-UHFFFAOYSA-N 408.549 1.410 0 50 HDAA Cc1nc(-c2c3n(c(=O)n(CC(=O)NCc4ccccc4)c2=O)CCCCC3)no1 169763983 OLINCXRZOMTTEY-UHFFFAOYSA-N 409.446 1.411 0 50 HDAA CCS(=O)(=O)N1CC(CNC(=O)c2cccn(Cc3cccc(C)c3)c2=O)C1 170603243 JJDJVQFXHMMPBW-UHFFFAOYSA-N 403.504 1.216 0 50 HDAA Cc1cc(C)cc([C@@H](O)CNC(=O)CN2CCN(C(=O)OC(C)(C)C)CC2=O)c1 225771586 SLNSWXHYOTWQSV-KRWDZBQOSA-N 405.495 1.532 0 50 HDAA Cc1cnc(S(C)(=O)=O)nc1C(=O)Nc1nc2ccccc2nc1N1CCCC1 253432186 WPCJAUPGVFSGQF-UHFFFAOYSA-N 412.475 1.984 0 50 HDAA Cc1cccc(SC2CCN(C(=O)c3cc4n(n3)C[C@@H](O)CNC4=O)CC2)c1 426705894 UZTPIRHJLFRMBM-AWEZNQCLSA-N 400.504 1.693 0 50 HDAA Cc1ccnc(SCC(=O)N2CCC[C@H](CNC(=O)Cn3ccnc3C)C2)n1 952867838 TWCOOZVXDVZBKB-MRXNPFEDSA-N 402.524 1.437 0 50 HDAA Cn1nncc1CC(=O)N1CC[C@@](c2nc(-c3ccncc3)no2)(C(F)(F)F)C1 952892053 DNPYWXKRMOUNSS-MRXNPFEDSA-N 407.356 1.535 0 50 HDAA O=C([C@@H]1CCCN2CCCC[C@H]12)N1CCCN(S(=O)(=O)N2CCCCC2)CC1 952985810 AMYYZAQTKZNABH-RTBURBONSA-N 412.600 1.516 0 50 HDAA CO[C@@H]1CC[C@H](C(=O)NCCCOc2cccnc2)C[C@H]1NC(=O)c1cn[nH]c1 1857681949 FHZJQNYBXAQXAB-BMGDILEWSA-N 401.467 1.304 0 50 HDAA CC(=O)N1CC[C@@](C)(C(=O)N2C[C@H]3CN(C(=O)c4cccc5cc[nH]c45)C[C@H]3C2)C1 1875360898 NHZWWLSWVKVPCG-IEGUWTFLSA-N 408.502 1.957 0 50 HDAA CCOC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OCC)[C@H]1c1ccc(O)c(OCC)c1 1112466 ZVPURIHDZWQVOT-NYUBLWNDSA-N 408.447 1.957 0 50 HDAA CCOc1ccccc1CN1CCNC(=O)[C@H]1CC(=O)N(C)Cc1nnc(C)o1 11840233 QARPSEZYXOSHRT-MRXNPFEDSA-N 401.467 1.126 0 50 HDAA CCOc1ccc(CN2CCc3nnc([C@@H](C)NC(=O)CCOC)n3CC2)cc1 14879269 KVAQWXZIYPGIBV-MRXNPFEDSA-N 401.511 1.949 0 50 HDAA COc1ccc([C@@H](NC(=O)Cn2nnnc2CN(C)C(C)C)c2ccncc2)cc1 15063698 UZIVWVCGVAQKJD-OAQYLSRUSA-N 409.494 1.823 0 50 HDAA CCN(CC)CCNc1nc2c(c(O)nc(=O)n2C)n1CCOc1ccccc1 19972753 GDNNXPDCFZRUHO-UHFFFAOYSA-N 400.483 1.668 0 50 HDAA O=C(CC[C@@H]1CCCN(C(=O)Cn2cncn2)C1)N1CCN(Cc2ccccc2)CC1 20780668 IGFDVWXMMIAGTA-NRFANRHFSA-N 424.549 1.641 0 50 HDAA O=S(=O)(c1ccccc1Cl)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 38530797 CYSBDXDAIQFDLX-UHFFFAOYSA-N 423.926 1.478 0 50 HDAA CN1CCN(S(=O)(=O)Cc2ccc(C(=O)N3CCc4ccccc4C3)cc2)CC1 67602016 ZHWHGJPCGYLCAB-UHFFFAOYSA-N 413.543 1.962 0 50 HDAA Cc1cc(F)ccc1N1C[C@]23C=C[C@H](O2)[C@@H](C(=O)N2C[C@@H]4CC[C@H](C2)[C@@H]4O)[C@@H]3C1=O 102612888 PWIIIRYVNWKZSB-PUAJEADMSA-N 412.461 1.650 0 50 HDAA C[C@@H]1CO[C@@H](CO)CN1C(=O)c1cn(C)nc1[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 253393068 PYTVCFNZDRUXQU-BZUAXINKSA-N 422.526 1.756 0 50 HDAA Cc1cccc([C@@H](CNC(=O)CCCCCCS(N)(=O)=O)N2CCOCC2)c1 253417977 QEHWJTOYRYKPAP-LJQANCHMSA-N 411.568 1.724 0 50 HDAA O=c1cc(N2CCC(O)CC2)cnn1[C@@H]1CCCN(Cc2cccc3c2OCO3)C1 328608540 ZLJLJSIIHDOJKW-QGZVFWFLSA-N 412.490 1.770 0 50 HDAA O=C(CCc1cn[nH]c1)N[C@@H]1CN2CCCC[C@@]2(C(=O)NCCc2ccccc2)C1 1857689207 IYOWYFRNNRFBDH-REWPJTCUSA-N 409.534 1.814 0 50 HDAA C[C@H](Oc1ccccc1)C(=O)N1CC(C)(C)C[C@H]1CNC(=O)[C@@H](O)C1CCOCC1 1875344238 HRWHKJYEBLTHNZ-QRFRQXIXSA-N 418.534 1.985 0 50 HDAA CC[C@@H](C(=O)N1CCc2[nH]c(=N)[nH]c(=N)c2C1)n1nnc(-c2ccc(Cl)cc2)n1 1875351706 GCLOCPLAUYYULC-AWEZNQCLSA-N 413.873 1.145 0 50 HDAA Cn1c(O)nc(N2[C@H]3CC[C@H]2CN(C(=O)c2cc(=O)c4ccccc4o2)CC3)cc1=O 1875359104 UMTWLRTZWZLKOC-KBPBESRZSA-N 422.441 1.476 0 50 HDAA C=CC(=O)N(C)CC(=O)N[C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 2325888921 OLOOMCBDDPACTN-GFCCVEGCSA-N 401.282 1.428 0 50 HDAA COc1ccc(CCNC(=O)C(=O)NCCc2ccc(OC)c(OC)c2)cc1OC 4565728 LQBVWONWJAYQLO-UHFFFAOYSA-N 416.474 1.739 0 50 HDAA CCN1CCN(C[C@H](O)COc2ccc(CNCCCOC(C)C)cc2OC)CC1 23374833 JSEIWOONWGDOSX-NRFANRHFSA-N 423.598 1.977 0 50 HDAA COCCN(C)CCN1CC2(CCN(Cc3cccc4nonc34)CC2)OC1=O 72429472 ATQYSHOWKBVKKE-UHFFFAOYSA-N 403.483 1.588 0 50 HDAA Cc1ccc(CN(C)C(=O)[C@@H]2[C@@H]3C=C[C@@]4(CN(CCN5CCCCC5)C(=O)[C@@H]24)O3)o1 77405992 MHYVVOYREOYGKL-VAWZGJIGSA-N 413.518 1.814 0 50 HDAA COc1cccc(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N(C)Cc3cc(C)no3)[C@H]4C2=O)c1 77421432 ZMNYCELQMDIITC-MXBUBSDBSA-N 423.469 1.932 0 50 HDAA COc1cccc(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N3CCCN(C)CC3)[C@@H]4C2=O)c1 107129882 XAZNPQAJTJXJBZ-GJPOJAMWSA-N 411.502 1.141 0 50 HDAA COc1ccccc1[C@H](CNC(=O)[C@@](C)(O)CN1Cc2ccccc2C1=O)N(C)C 225431436 QANVVNZSCJKVOW-CVDCTZTESA-N 411.502 1.821 0 50 HDAA COC(=O)CN1CCC[C@@H](CNC(=O)CCC(=O)N2CCOc3ccccc32)C1 242339218 ZGAZSPBVELWARC-INIZCTEOSA-N 403.479 1.193 0 50 HDAA CCN1CCOC[C@H]1C(=O)NCCN1C(=O)S/C(=C\c2ccccc2F)C1=O 253416997 RTVHKOOSNGBDCT-CNYBTUBUSA-N 407.467 1.699 0 50 HDAA CN1CCN(c2ccc(NC(=O)CC[C@H]3NC(=O)c4ccccc4NC3=O)cc2)CC1 886024141 BVPONIBQKNXMHB-HXUWFJFHSA-N 421.501 1.908 0 50 HDAA Cn1c(=O)c(CN2C[C@H]3CN(Cc4nccs4)C[C@]3(CO)C2)cc2ccccc21 1772706918 XADHHRIAVFRDHJ-AVRDEDQJSA-N 410.543 1.921 0 50 HDAA O=C(C1CCOCC1)N1C[C@H]2CN(c3nccc(C(F)(F)F)n3)C[C@]2(CO)C1 1772813094 VRHCDAOQEGCKOS-GUYCJALGSA-N 400.401 1.179 0 50 HDAA CC(C)(CN1CCO[C@]2(CCN(Cc3c[nH]nc3C(=O)O)C2)C1)N1CCCCC1 1857681310 IPOPOZVFDOLCTQ-NRFANRHFSA-N 405.543 1.649 0 50 HDAA Cc1cn(CCN2C(=O)C[C@H]3[C@@H]2CCN3C(=O)Cc2ccc(F)cc2Cl)nn1 1857690535 MPVYYVNTWWBPDN-IRXDYDNUSA-N 405.861 1.824 0 50 HDAA CN(C)C[C@@H]1OCCN(C(=O)CN(C)Cc2ccc(F)cc2)[C@H]1c1cnn(C)c1 1857712695 MMTKMRFHZYSDIS-FPOVZHCZSA-N 403.502 1.521 0 50 HDAA CCCO[C@@H]1CC[C@H](c2nc(CC(=O)NC)nn2-c2ccc(OC)cc2)C[C@H]1N 1857721681 AXCCPQIEHUAZAE-BMGDILEWSA-N 401.511 1.954 0 50 HDAA CN(C)C(=O)CCC(=O)N1CCO[C@@H](CN2CCC(O)CC2)[C@@H]1c1ccccc1 1857735136 JOZOIIJINVKBJG-UGKGYDQZSA-N 403.523 1.280 0 50 HDAA COc1ccc(N(CC(=O)Nc2ccc3c(c2)OCO3)S(C)(=O)=O)cc1OC 656099 YPCHUKMUHDLGOK-UHFFFAOYSA-N 408.432 1.837 0 50 HDAA CC[C@H](Sc1nnnn1-c1ccccc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 2746354 GILKHEFYHLPHCE-HNNXBMFYSA-N 418.504 1.819 0 50 HDAA O=C(NCc1nnc2n1CCN(C(=O)c1cccc(Cl)c1F)CC2)[C@H]1CCOC1 11980385 WVBJFYWCIVPNKK-LBPRGKRZSA-N 421.860 1.422 0 50 HDAA CCc1ccc(NC(=O)Cn2c(=O)c3c(C(=O)OC)cc(C)nc3n(C)c2=O)cc1 12413382 SDGVJHADBWWZRY-UHFFFAOYSA-N 410.430 1.391 0 50 HDAA CC(C)N1CCc2c(c(C(=O)N3CCNC(=O)C3)nn2CCCc2ccccc2)C1 14753625 TXWCHKNZEJGYMP-UHFFFAOYSA-N 409.534 1.854 0 50 HDAA O=C(Cc1ccc(Cl)cc1)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 38522495 CMEGIBBOCJKXTE-UHFFFAOYSA-N 401.898 1.858 0 50 HDAA C[C@@H]1CN(CC(=O)NC[C@@H](c2cccnc2)N2CCOCC2)Cc2ccccc2O1 39500692 NMSVSULXQVDDIK-NQIIRXRSSA-N 410.518 1.854 0 50 HDAA Cc1cc(N2CCN(S(=O)(=O)c3cccs3)CC2)nc(N2CCOCC2)n1 65364501 WEINXKZMKSYFAN-UHFFFAOYSA-N 409.537 1.194 0 50 HDAA CC(C)c1ccc(N2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N3CCNC(=O)CC3)[C@@H]4C2=O)cc1 77426762 QIMIJLXKHDAPTN-CLWLKPMESA-N 409.486 1.445 0 50 HDAA O=C(NCc1ccc2c(c1)OCO2)c1ccc(CN2CCC3(CCO3)CC2)[nH]c1=O 77485681 FIHIBACYTBVUPF-UHFFFAOYSA-N 411.458 1.789 0 50 HDAA NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1S(=O)(=O)c1cc2c(cc1Cl)NC(=O)CO2 229766403 ACWDMASEMXBJKE-ICCXJUOJSA-N 413.883 1.478 0 50 HDAA COCCCn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 241897185 TWIWCTQTEOPKDJ-LSDHHAIUSA-N 424.546 1.802 0 50 HDAA COC[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CCN(CC(=O)Nc1cnn(C)c1C)C2 1506403139 WKCTZKJJRNQSNA-KNKQGSTJSA-N 419.570 1.506 0 50 HDAA O=C(CCn1cnnn1)N[C@H]1CCC[C@@H](CNC(=O)c2ccc(F)cc2Cl)C1 1857704728 CTKMPYICCSXXRC-OCCSQVGLSA-N 408.865 1.961 0 50 HDAA CCn1c(=O)n(CC(=O)NS(=O)(=O)Cc2ccc(F)cc2F)c2ccccc21 1875254912 HKHXKBRCLLLZKE-UHFFFAOYSA-N 409.414 1.747 0 50 HDAA Cc1nc2nc(=N)[nH]n2c(C)c1CC(=O)N1CCOC[C@H]1Cc1c[nH]c2ccccc12 1875264926 NUAJIVYOQFKHAG-MRXNPFEDSA-N 419.489 1.648 0 50 HDAA CS(=O)(=O)c1ccc2c(c1)CCN(C(=O)c1ccc3[nH]nc(C(=O)O)c3c1)CC2 1875301174 CBYCXUJDNGPZQC-UHFFFAOYSA-N 413.455 1.906 0 50 HDAA O=C([C@@H]1CCOC1)N1CCC[C@](Cc2cn(CCc3ccccc3)nn2)(C(=O)O)C1 1875324506 BCHWIJPRYBXVEF-XMSQKQJNSA-N 412.490 1.793 0 50 HDAA O=C(C[C@@H]1COCCN1CC(F)(F)F)N1CCS(=O)(=O)C2(CCCCC2)C1 2325861361 NRJZAESTFFUPEY-CQSZACIVSA-N 412.474 1.600 0 50 HDAA O=C1CC[C@H](N2Cc3cc(C(=O)NCCc4cccc(O)c4)ccc3C2=O)C(=O)N1 2325896341 WQXYDMNEEBCXLJ-SFHVURJKSA-N 407.426 1.126 0 50 HDAA COc1cccc2c1C1(CCN(C(=O)[C@H]3CC[C@@H]4NC(=O)CO[C@H]4C3)CC1)OCC2 2356150234 SFKMSDCPARPMDA-LNLFQRSKSA-N 414.502 1.769 0 50 HDAA COC(=O)c1ccccc1NC(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O 972110 ASUDYXAEMKPUGO-UHFFFAOYSA-N 422.459 1.895 0 50 HDAA CCn1cc(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3c(C)nn(C)c3C)C2)c(C)n1 2807889 MJECTMWMYBBBFI-MRXNPFEDSA-N 422.555 1.279 0 50 HDAA CCCN1CCN(CCCNC(=O)CN2C(=O)[C@@H](CC)Oc3ccccc32)CC1 19359788 SMUSYQLLDKQQOY-LJQANCHMSA-N 402.539 1.725 0 50 HDAA Cn1ccc(C(=O)N2CCC(N3CCC[C@H](C(=O)NCc4ccccn4)C3)CC2)n1 82155688 NIMRYHJCVYRDKF-KRWDZBQOSA-N 410.522 1.448 0 50 HDAA O=C1[C@H]2[C@@H]3C=C[C@@H]([C@@H]4C(=O)N(c5ccncc5)C(=O)[C@H]34)[C@H]2C(=O)N1c1ccncc1 239309369 HLMBUKUTOFQWAX-PTZATXGZSA-N 400.394 1.204 0 50 HDAA Cc1ccc(C)n1CCN1CCN(C(=O)C[C@H]2N=C(O)N(c3ccccc3)C2=O)CC1 252489731 JYQCHCILGLNSPE-HXUWFJFHSA-N 423.517 1.969 0 50 HDAA COC(=O)C1=C(O)[C@H](C(=O)OC)[C@]23CCCC[C@]12[C@H](C(=O)OC)C(O)=C3C(=O)OC 257356855 KRFQNBNYNBJKLD-UIYIMKDZSA-N 424.402 1.109 0 50 HDAA O=C1CO[C@H](COc2ccc(F)cc2)CN1C1CCN(Cc2cncnc2)CC1 299775742 ILQIRFHBIBZLGM-FQEVSTJZSA-N 400.454 1.887 0 50 HDAA O=C(NCCS(=O)(=O)c1ccc(F)cc1)N1CCN(c2ccccc2)C(=O)C1 462221534 XVSWVZNDEQAGIY-UHFFFAOYSA-N 405.451 1.658 0 50 HDAA CCNC(=O)[C@@]12CCCN(C)[C@H]1CN(C(=O)CCc1ccc3c(c1)OCO3)CC2 1775979700 OCQFECWTZRMXQU-SIKLNZKXSA-N 401.507 1.797 0 50 HDAA C[C@]1(C(=O)NC[C@H](NC(=O)c2cnn[nH]2)c2ccc3ccccc3c2)CCNC(=O)C1 1875359549 ILDSAPDKKMQCCU-JTSKRJEESA-N 420.473 1.462 0 50 HDAA CN[C@@H](C(=O)N[C@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)OC)c1cnn(C)c1 2325851023 NFHOXQPIVFEFQD-HUUCEWRRSA-N 414.384 1.480 0 50 HDAA C=CC(=O)N1CCC(C(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3C)CC2)CC1 2325889490 TVMBPGKNKHYDGA-UHFFFAOYSA-N 419.547 1.561 0 50 HDAA COc1ccc2c(c1)CCOC21CCN(C(=O)[C@H]2[C@@H]3C=C[C@@]4(CN(C)C(=O)[C@@H]24)O3)CC1 2356146683 PZNCWFPTWXNSQV-KTIHBUSBSA-N 424.497 1.497 0 50 HDAA CCCNS(=O)(=O)c1ccc(OCC(=O)N2CCC(C(=O)OCC)CC2)cc1 4196724 ULTWZIHCHWUFGE-UHFFFAOYSA-N 412.508 1.555 0 50 HDAA Cc1nn(-c2ccccc2)c(C)c1CC(=O)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 11786718 DTEIDBOYJIUYLE-QFIPXVFZSA-N 409.490 1.868 0 50 HDAA CC(=O)NCC1CCN(C(=O)[C@H]2CCC(=O)N(CCc3cccc(F)c3)C2)CC1 12054659 DMAUCBGWQUUQNL-IBGZPJMESA-N 403.498 1.982 0 50 HDAA COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)N(C)CC2CCOCC2)cc1C 14979871 TWTAVPIZSKRVFS-IBGZPJMESA-N 403.523 1.579 0 50 HDAA Cc1cccnc1NC(=O)[C@H]1CC(=O)N(c2ccc(S(=O)(=O)N(C)C)cc2)C1 36353917 VSFVMRILYZTKSH-AWEZNQCLSA-N 402.476 1.632 0 50 HDAA CC(C)=CCn1c(-c2ccc(F)cc2)cn2cc(C(=O)N[C@@H](C)C(N)=O)nc2c1=O 72425688 XHUBNWDTVVKQRA-ZDUSSCGKSA-N 411.437 1.872 0 50 HDAA O=c1c2ccccc2nnn1C[C@H]1CC[C@H](C(=O)N[C@H]2C=CS(=O)(=O)C2)CC1 238900271 IKHGREJENLVRRA-KKUMJFAQSA-N 402.476 1.025 0 50 HDAA Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(NCC(=O)Nc2cccc(F)c2)CC1 241231160 KSPGBQFQWVGHAL-UHFFFAOYSA-N 409.487 1.547 0 50 HDAA C[C@H](OC(=O)CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)C(=O)NC(=O)NC1CCCCC1 252444090 IPABZUWAUYTFSM-NUEKZKHPSA-N 419.478 1.418 0 50 HDAA Cc1nn(C)c(C)c1CCC(=O)NCC1CCN(c2ccc(C(=O)O)nn2)CC1 1506414108 ODLNAEVUBAXGGC-UHFFFAOYSA-N 400.483 1.491 0 50 HDAA COCCN1CCC(C(=O)N2CCO[C@H](CO)[C@H]2c2ccc(OC)c(OC)c2)CC1 1529155283 PYMWYOUVHXQTBA-NHCUHLMSSA-N 422.522 1.323 0 50 HDAA CN1CCC[C@@]2(C(=O)NCCO)CCN(C(=O)c3cnoc3-c3ccccc3)C[C@H]12 1775979341 UGVKDKVUCOCWAP-PGRDOPGGSA-N 412.490 1.377 0 50 HDAA CC(C)(C)NC(=O)COc1ccc(CN2CC[C@@H](O)[C@@]3(CCCNC3=O)C2)cc1 1857703089 INUHAJYGSFEBPH-XMSQKQJNSA-N 403.523 1.443 0 50 HDAA O=C(NCC[C@H]1C[C@@H](O)C1)[C@@H]1CC(=O)N(c2nnc(Cc3ccccc3)s2)C1 1857722903 OTDLBMQJNJXROZ-OAGGEKHMSA-N 400.504 1.759 0 50 HDAA Cc1nsnc1C(=O)NC[C@H]1[C@H]2CN(C(=O)Cc3ccsc3)C[C@]23CC[C@H]1O3 1857726410 PRDNCPOHDUWPKT-NRTGNBEESA-N 418.544 1.887 0 50 HDAA Cc1nocc1S(=O)(=O)N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O 1875302099 ZUSKARMTERMOCX-GFCCVEGCSA-N 405.354 1.965 0 50 HDAA CC(C)=C(F)C(=O)N1C[C@@H]2CN(c3cc(C4CC4)nc(S(C)(=O)=O)n3)C[C@@H]2C1 1875330629 VZTKCPHXTONUPY-OKILXGFUSA-N 408.499 1.916 0 50 HDAA O=C(c1ccc2c(c1)nc(O)n2[C@H]1CC[C@H](O)CC1)N1CCC(N2CC(O)C2)CC1 2100483191 XTZJYLYFUSNJMS-QAQDUYKDSA-N 414.506 1.499 0 50 HDAA CC[C@H]1CCCN1C(=O)C(=O)NCCCCCNC(=O)C(=O)N1CCC[C@@H]1CC 2325704068 YAQHFJCFMVHWFS-IRXDYDNUSA-N 408.543 1.191 0 50 HDAA OC[C@@H]1CCCN1C[C@@H]1CCCN1CCCN1CCC[C@@H]1CN1CCC[C@@H]1CO 2325714030 NHBMCRSDVUFETA-MESAYYPLSA-N 408.631 1.219 0 50 HDAA Cc1cc(N2CC[C@@H](NC(=O)N(C)[C@H]3CCN(Cc4ccccc4)C3=O)C2)n(C)n1 2325828953 WSAPLYWVOLTSJQ-MOPGFXCFSA-N 410.522 1.750 0 50 HDAA COC(=O)c1ccc(NC(=S)NC(=O)CCN2C(=O)c3ccccc3C2=O)cc1 851399 RCRLKZALAUKNNN-UHFFFAOYSA-N 411.439 1.973 0 50 HDAA CC(C)N(Cc1nccn1C)C(=O)C[C@@H]1C(=O)NCCN1Cc1ccc(F)cc1 11663132 SKUQKZOVRROFNC-GOSISDBHSA-N 401.486 1.687 0 50 HDAA O=C(Nc1ccccc1F)N[C@H]1C[C@H]2C(=O)N[C@H](Cc3ccc(O)cc3)C(=O)N2C1 14541276 JMFAAVCEAHCFCB-VHSSKADRSA-N 412.421 1.363 0 50 HDAA COc1ccccc1[C@H]1CN(CCNC(=O)Cn2cnnn2)Cc2ccccc2O1 19742870 RUGPANHJOKZZJD-HXUWFJFHSA-N 408.462 1.434 0 50 HDAA C[C@H](C(=O)NC[C@@H]1Cc2cc(-c3cncnc3)cc(Cl)c2O1)N1CCOCC1 19841920 GANNOISTAQGGRI-DYVFJYSZSA-N 402.882 1.937 0 50 HDAA COc1ccc(CNCCN2CCCCC2)c(OC[C@@H](O)CN2CCN(C)CC2)c1 22919862 MUYLONDQDLTEKF-NRFANRHFSA-N 420.598 1.258 0 50 HDAA CCc1cc(C(=O)OC)c(NC(=O)CN2CCN(C(=O)[C@H]3CCCO3)CC2)s1 35802748 QIWGHGXLTYOHRT-OAHLLOKOSA-N 409.508 1.359 0 50 HDAA Cc1ccccc1OCCN1C[C@@H]2CN(C(=O)OC(C)(C)C)CCN2S1(=O)=O 170608997 GCGFHQYMWJJXRL-INIZCTEOSA-N 411.524 1.856 0 50 HDAA COc1ccc(F)cc1S(=O)(=O)N1CCC[C@@H](C(=O)NC[C@H]2CCCO2)C1 244858648 VPJHHJSYKGVNRT-UKRRQHHQSA-N 400.472 1.530 0 50 HDAA CC[C@H](C)[C@H](CO)NC(=O)C[C@H]1N=C(O)N(CCc2c[nH]c3ccccc23)C1=O 252533147 FZAYBNVCBWTPQM-VHSSKADRSA-N 400.479 1.749 0 50 HDAA COCCN(C)c1cnn([C@H]2CCCN(C(=O)c3cccc(C(=N)O)c3)C2)c(=O)c1 328604652 KRJCKYZXCFAIAR-KRWDZBQOSA-N 413.478 1.687 0 50 HDAA O=C(Cc1csc(-c2nc[nH]n2)n1)N1CC[C@H]2CN(C(=O)C(F)(F)F)C[C@@H]2C1 1449481416 VHYIMPNYAQRCCA-UWVGGRQHSA-N 414.413 1.340 0 50 HDAA 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O=S(=O)(N1CCCC1)N1CCC[C@]2(CCc3c(O)nc(-c4cccnc4)nc32)C1 1857697008 HZEYGAQZGWMUGT-FQEVSTJZSA-N 415.519 1.865 0 50 HDAA COC1(C(=O)N[C@H](Cn2cccn2)c2ccccc2)CCN(S(C)(=O)=O)CC1 1857724484 YDTONTRXVPLVGQ-QGZVFWFLSA-N 406.508 1.181 0 50 HDAA O=C1CC[C@@H](N2Cc3cc(NC(=O)N4CCc5ccncc54)ccc3C2=O)C(=O)N1 2325901383 BWBQDOFTFDVSQE-MRXNPFEDSA-N 405.414 1.437 0 50 HDAA COc1cc(O)c(Cl)c2c1C(=O)O[C@H](C)CC[C@@]1(O)CC[C@H](O)[C@@H](O1)C(=O)C2 2332925073 RULRWFRHJIEKGR-KGGMWPPASA-N 414.838 1.733 0 50 HDAA COCCn1cnnc1[C@@H](C)NC(=O)c1cc2c(s1)CCOC21CCNCC1 2356143544 MHSNNWIQXCSRMA-CYBMUJFWSA-N 405.524 1.628 0 50 HDAA O=S(=O)(NCc1cccs1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 922639 OIODWRPPQFQPHY-UHFFFAOYSA-N 402.519 1.248 0 50 HDAA COC(=O)[C@@H]1[C@H](c2ccccc2)N[C@H](c2ccccc2)[C@H](C(=O)OC)S1(=O)=O 13464251 HXZGSGMQZHHVEH-USTZCAOPSA-N 403.456 1.570 0 50 HDAA CC(C)CN1C[C@H](OCc2ccccc2)CN(C(=O)CN2CCOC2=O)CC1=O 14537609 OWARCOJFXJBNRA-SFHVURJKSA-N 403.479 1.351 0 50 HDAA COc1cccc(CNCC2(O)CCCCC2)c1OC[C@@H](O)CN1CCOCC1 15063555 NCFFMAPQVMFNRF-IBGZPJMESA-N 408.539 1.552 0 50 HDAA O=C(CN1C(=O)CSC1=O)N[C@H]1CCCN(c2ccc(C(F)(F)F)cn2)C1 19111227 MXWQPNSSNNYPSH-NSHDSACASA-N 402.398 1.881 0 50 HDAA COc1ccc(CN(C)Cc2cnn(C)c2)c(OC[C@@H](O)CN2CCN(C)CC2)c1 20782570 SWYQMXOYOQTTIM-FQEVSTJZSA-N 417.554 1.048 0 50 HDAA Cc1cc(CNC(=O)C[C@H]2C(=O)NCCN2Cc2c(F)cccc2Cl)nn1C 55360719 ALEYSIXQEAPUNZ-KRWDZBQOSA-N 407.877 1.528 0 50 HDAA Cc1nc(N2CCCCC2)cc(N2CCN(S(=O)(=O)c3c(C)noc3C)CC2)n1 67603742 BGOIKEUVKKQISK-UHFFFAOYSA-N 420.539 1.891 0 50 HDAA CCc1cc(N2CCC(N3CCC[C@H](C(=O)N4CCN(C)CC4)C3)CC2)ncn1 71764416 VINWTVFUHWCPHC-SFHVURJKSA-N 400.571 1.494 0 50 HDAA Cc1ccc(C)c(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N(C)Cc3nccn3C)[C@H]4C2=O)c1 77378338 ZJTXYMOGGYZZGP-FVLCUVFVSA-N 420.513 1.978 0 50 HDAA CCCCN1CCN([C@H](C(=O)N(C)Cc2ccncn2)c2ccccc2)C(=O)C1=O 77485103 SESPKCWIXRBKPS-IBGZPJMESA-N 409.490 1.647 0 50 HDAA CC(C)N(C)C(=O)CN1CCC(N2CCC[C@H](C(=O)NCc3ccccn3)C2)CC1 82092818 AHXDAGQLMQBUAY-IBGZPJMESA-N 415.582 1.741 0 50 HDAA COc1ccc(NC2(C(=O)N3CCN4C(=O)CN(C)C(=O)[C@H]4C3)CCCCC2)cc1 1506422965 TVAMPLKKCWWMSL-GOSISDBHSA-N 414.506 1.321 0 50 HDAA Cc1cc(S(=O)(=O)N2CCN(C(=O)[C@@H](C(C)C)n3cncn3)CC2)c(C)s1 1875256244 JKNIKURKDJBAEF-MRXNPFEDSA-N 411.553 1.687 0 50 HDAA O=C(Cc1cccc(O)c1)N1CCC2(CCc3c(O)nc(N4CCOCC4)nc32)CC1 1940197861 XPUVERDVLQJPOC-UHFFFAOYSA-N 424.501 1.774 0 50 HDAA O=C(CCc1ccc(C(F)(F)F)cc1)N[C@@H]1CC(=O)N(CCN2CCOCC2)C1 2325733344 STIZXFBXEHHFOW-QGZVFWFLSA-N 413.440 1.687 0 50 HDAA CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)Nc3ccc(F)cc3)c2)CC1 6340534 WFJCZADTUPEOSV-UHFFFAOYSA-N 405.451 1.931 0 50 HDAA O=C(N1N=C(C(F)F)C[C@]1(O)C(F)F)C12C[C@@H]3C[C@H](C1)CC(n1ncnn1)(C3)C2 6830018 FBRWODGIQUMUDB-UYMWUWSXSA-N 416.379 1.776 0 50 HDAA Cc1noc(C)c1CO[C@H]1CN(CC(C)C)C(=O)CN(C(=O)C2CCOCC2)C1 14532226 RROLOWXHXGMVRT-SFHVURJKSA-N 407.511 1.930 0 50 HDAA CC(C)Cn1nc(C(=O)NC2CCCC2)c2c1CCN(C(=O)[C@H]1CNC(=O)C1)C2 14748165 OBKMJZMYOWVAGH-CQSZACIVSA-N 401.511 1.232 0 50 HDAA O=C1COc2ccc(S(=O)(=O)N[C@@H]3CCCN(Cc4ccccn4)C3)cc2N1 72173684 IWVOIUUNUQJENE-OAHLLOKOSA-N 402.476 1.355 0 50 HDAA O=C(Cn1nnnc1[C@H](c1ccccc1)N1CCOCC1)NCCc1cccs1 426621551 DMJBZXNMISRJAV-IBGZPJMESA-N 412.519 1.515 0 50 HDAA CCN1CC[C@H](N(C)c2ncnc3c2ncn3C[C@H](CO)[C@@H]2CCOC2)C[C@@H]1C 888097233 FVIPZBRBHVTKGL-MLHJIOFPSA-N 402.543 1.780 0 50 HDAA Cc1nn(CC(F)(F)F)c(C)c1CC(=O)N[C@H]1CCc2c(nc(C)n2CCO)C1 1346864958 ZDVMODINNWAIEC-AWEZNQCLSA-N 413.444 1.776 0 50 HDAA O=C(Cc1cccnc1)N1C[C@@H]2CN(C(=O)c3ccc(F)cc3F)C[C@@]2(CO)C1 1772705599 YGAKPVSJTVZDQR-QVKFZJNVSA-N 401.413 1.495 0 50 HDAA Cc1nc(C(=O)N2C[C@@H]3CN(C(=O)c4cc(CC(C)C)no4)C[C@@]3(CO)C2)cs1 1772711975 ZCWSFAMPEIXDHY-JLTOFOAXSA-N 418.519 1.845 0 50 HDAA COc1ccc(F)c(F)c1CN1C[C@@H]2CN(C(=O)c3ccnn3C)C[C@@]2(CO)C1 1772809699 CPVXGZDPEKVMJT-ZUOKHONESA-N 406.433 1.273 0 50 HDAA COC(=O)c1cnc(NC[C@H]2CN(CC3CCN(CC4CC4)CC3)C(=O)CO2)cn1 1857681379 BTUQIOMUZJACGL-KRWDZBQOSA-N 417.510 1.025 0 50 HDAA COCCCn1cnnc1CN1C(=O)C[C@H]2[C@@H]1CCN2c1cnc2ccccc2n1 1857681452 KATJNKUKDIDMPK-ROUUACIJSA-N 407.478 1.638 0 50 HDAA COC(=O)c1cncc(C(=O)N2CC[C@@]34OC[C@@H](c5ccccc5)N3C(=O)C[C@@H]24)c1 1857732645 ZIDMLCFWMHESRF-SVMVAKDDSA-N 407.426 1.783 0 50 HDAA CO[C@@H]1CC[C@H](C(=O)NCc2cc(F)ccc2F)C[C@H]1NC(=O)c1cnccn1 1875245849 AKTZSVVFUQDYAZ-BJOOFOGMSA-N 404.417 1.985 0 50 HDAA CCn1cncc1CNC(=O)[C@@H]1C[C@@H](O)[C@H](NC(=O)CCOc2ccccc2)C1 2100482213 HPBGAKPZMSDCGY-KFKAGJAMSA-N 400.479 1.244 0 50 HDAA CC(=O)N[C@H](C(=O)N1CCN(c2ccnnc2)CC1)c1cccc(Br)c1 2325825133 FYRCKLAXULREAD-KRWDZBQOSA-N 418.295 1.765 0 50 HDAA O=C(O)Cc1ccccc1NC(=O)c1ccc2c(c1)C(=O)N([C@@H]1CCC(=O)NC1=O)C2 2325897574 ZLDCOEIKMJHMDG-QGZVFWFLSA-N 421.409 1.327 0 50 HDAA COc1ccc(NC(=O)[C@@H](CCS(C)(=O)=O)N2C(=O)c3ccccc3C2=O)cc1 1109154 DIDAKQDVLVBVBV-QGZVFWFLSA-N 416.455 1.733 0 50 HDAA Cc1ccc(N2C(=O)C[C@H](NCCc3ccc(S(N)(=O)=O)cc3)C2=O)cc1Cl 1308239 XXTCHQYCFPCHIN-KRWDZBQOSA-N 421.906 1.760 0 50 HDAA COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)N(C)CC2CCOCC2)cc1C 14979874 TWTAVPIZSKRVFS-LJQANCHMSA-N 403.523 1.579 0 50 HDAA Cc1cc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3cn(C)nc3C)cc2)no1 17088867 MXDIGHWOJOCSQP-UHFFFAOYSA-N 411.465 1.627 0 50 HDAA O=C(O)c1ccc(-c2ccc(C(=O)O)c(S(=O)(=O)O)c2)cc1S(=O)(=O)O 114448301 FBPGYBAYUZQKSE-UHFFFAOYSA-N 402.358 1.243 0 50 HDAA CCC(=O)NCC(=O)N[C@@H]1CCN([C@H](C(=O)OC(C)(C)C)c2ccccc2)C1=O 170608639 IIGAJAPAMDLMCS-QAPCUYQASA-N 403.479 1.313 0 50 HDAA O=C(N[C@@H]1CCS(=O)(=O)C2(CC(C(=O)N[C@@H]3C[C@H]4CC[C@H]3C4)C2)C1)c1ccon1 952876188 FEXXKRDMWMUWEG-GFUFLZGOSA-N 421.519 1.435 0 50 HDAA COC[C@@H]1CCCN(S(=O)(=O)N2CCN(c3ncnc4ccccc34)CC2)C1 1506421037 NCNPJDSCGHBGFF-MRXNPFEDSA-N 405.524 1.355 0 50 HDAA Cc1cc(CN2CCC3(CC2)OCCc2cc(C(=O)NCC(N)=O)sc23)on1 1857683078 BGAMEVXKDOEODF-UHFFFAOYSA-N 404.492 1.324 0 50 HDAA Oc1nc(N2CCOCC2)nc2c1CCC21CCN(c2ncnc3[nH]cnc23)CC1 1857719295 IYYBEYKGZCYMJN-UHFFFAOYSA-N 408.466 1.170 0 50 HDAA CCOC(=O)N1CC(NS(=O)(=O)c2cc(C(=O)OC)cc(C(F)(F)F)c2)C1 1875310216 IXCWNWRSJJIQNL-UHFFFAOYSA-N 410.370 1.611 0 50 HDAA O=C(N=c1cc(-c2ccccn2)[nH][nH]1)c1csc(S(=O)(=O)N2CCOCC2)c1 1875333665 GQVNALRFYIFWMA-UHFFFAOYSA-N 419.488 1.228 0 50 HDAA O=C(C1CCN(S(=O)(=O)c2ccccc2)CC1)N1N=CC[C@]1(O)C(F)(F)F 6829617 SIIZDQLCTREHRJ-HNNXBMFYSA-N 405.398 1.556 0 50 HDAA COc1cccc(CN2CCN(c3nc4nonc4nc3N3CCCC3)CC2=O)c1 11661860 VKICJNNANFBHCU-UHFFFAOYSA-N 409.450 1.470 0 50 HDAA CCN1CCC[C@@H](CN(C)Cc2cnc(S(=O)(=O)CC3CC3)n2CCOC)C1 12305953 JGSACCBUUSFAQY-SFHVURJKSA-N 412.600 1.877 0 50 HDAA CC(C)CCN1C(=O)N(CCN(C)C)C(=O)C12CCN(Cc1cnn(C)c1)CC2 14752577 APCJVEHVTCCUNQ-UHFFFAOYSA-N 404.559 1.627 0 50 HDAA C[C@H]1CN(C(=O)c2nc3ccc(Cl)cn3c2CN2CCNC(=O)CC2)C[C@@H](C)O1 19836143 TUVUKCPBZLQHBQ-OKILXGFUSA-N 419.913 1.559 0 50 HDAA CC1CCN(Cc2nnnn2CCCC(=O)N[C@@H]2C(=O)N(C)c3ccccc32)CC1 39538088 PKXAMXQRGNUZOL-FQEVSTJZSA-N 411.510 1.519 0 50 HDAA O=C(C[C@H]1C(=O)NCCN1Cc1cccnc1)NCCCn1ncc2ccccc21 55309119 GRHLRIVLJSGVEV-FQEVSTJZSA-N 406.490 1.328 0 50 HDAA COc1cc(N(CC(=O)NC2CCN(C)CC2)S(C)(=O)=O)c(OC)cc1Cl 65362929 IXXAFCGHJTWSHQ-UHFFFAOYSA-N 419.931 1.334 0 50 HDAA O=C1CCC(C(=O)N2CCC3(CC2)CC(=O)N(Cc2cc(F)cc(F)c2)C3)=NN1 95390551 HHIXGEYLYLPZQT-UHFFFAOYSA-N 404.417 1.572 0 50 HDAA O=C(Nc1nccs1)[C@H]1[C@@H]2C(=O)N(Cc3ccc4c(c3)OCO4)C[C@@]23C=C[C@H]1O3 137170193 FSAQPVVOTUFKIP-CQNRTFJUSA-N 411.439 1.793 0 50 HDAA O=C1N[C@H](Cc2cnc[nH]2)C(=O)N2CCN(C(=O)Oc3cccc4ccccc34)C[C@@H]12 215714093 UEQQPSYBHMIWTJ-MSOLQXFVSA-N 419.441 1.316 0 50 HDAA O=C(NCCCn1ccccc1=O)[C@@H]1[C@@H]2C(=O)N(C3CCCCC3)C[C@]23C=C[C@H]1O3 426707094 AQEAGYCYRGWLKQ-RKCFAAOBSA-N 411.502 1.469 0 50 HDAA O=C(C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)N(Cc1cccc(O)c1)CC1CC1 734359136 YJVDTVHQFRUUHJ-INIZCTEOSA-N 419.503 1.296 0 50 HDAA OCCN=c1[nH]c(-c2cccnc2)nc2c1CC[C@]21CCCN(Cc2cnc[nH]2)C1 1875246819 BBJIYJUMPZXCNH-QFIPXVFZSA-N 405.506 1.568 0 50 HDAA O[C@H]1CCCN(c2nc(Sc3ncccc3Cl)nc(N3CCC[C@H](O)C3)n2)C1 1875391141 ADOZIEJFYYTGCK-STQMWFEESA-N 422.942 1.993 0 50 HDAA Cn1ccnc1C(=O)[C@@H]1CCCN(C(=O)Cn2cc(NC(=O)c3ccccc3)cn2)C1 12245906 UAHCAXWQCASBHH-QGZVFWFLSA-N 420.473 1.990 0 50 HDAA O=C(N[C@H]1C[C@H]2C(=O)N[C@H](Cc3ccc(O)cc3)C(=O)N2C1)c1cccc(F)c1F 14543712 FKPMQRVBXOPIEA-VUCTXSBTSA-N 415.396 1.111 0 50 HDAA O=C1CN(C(=O)c2cnccn2)C[C@@H](OCc2cccnc2)CN1Cc1ccccc1 14732493 DKOWRFBASHXLSJ-FQEVSTJZSA-N 417.469 1.942 0 50 HDAA CSCC[C@H](C(=O)NCc1nnc2ccccn12)n1c(O)nc2ccccc2c1=O 888089135 KMKIGINPKPRSOB-OAHLLOKOSA-N 424.486 1.755 0 50 HDAA Cc1cc(N2CCN(C(=O)[C@@H](N)Cc3cnc[nH]3)CC2)nc(-c2ccccc2O)n1 952988137 NQICMXNJHUEDLG-KRWDZBQOSA-N 407.478 1.099 0 50 HDAA CC(=O)N1c2ccc(S(=O)(=O)N3CCN(CC(C)(F)F)CC3)cc2C[C@H]1C 1309897281 GHGXBUUTABOHHE-CYBMUJFWSA-N 401.479 1.946 0 50 HDAA CCc1nccn1CCC(=O)N1CCO[C@@]2(CCN(CCn3nccc3C)C2)C1 1857702537 MYPZMBXPKWXLOW-OAQYLSRUSA-N 400.527 1.344 0 50 HDAA COc1ccc([C@@H]2[C@H](C(=O)N3CCCCC3)C[C@@H]3CN(CCO)CC(=O)N23)cc1 1857705603 NTJHPWTXEVAEFL-YFVAEKQCSA-N 401.507 1.274 0 50 HDAA CS(=O)(=O)NCC(=O)N1CCCOc2cccc(c2)CC[C@H]2CCCCN2CC1 1857706556 LCODDJXKWSHPSL-LJQANCHMSA-N 423.579 1.634 0 50 HDAA O=C(c1ccnc(-n2cnnc2)c1)N1C[C@H](O)[C@H](Cc2ccnc3ccccc23)C1 1857717599 PMMCEVDEPPHRMM-XLIONFOSSA-N 400.442 1.886 0 50 HDAA CCC[C@@]1(CO)CN(C(=O)c2ccc3c(c2)[nH]c(=NCCOC)n3C)CC[C@@H]1O 1857736191 ZGTBYVWKLLWCOA-RXVVDRJESA-N 404.511 1.039 0 50 HDAA O=C(c1ccnc2[nH]nnc12)N1[C@H]2CC[C@H]1CC(n1cc(C3CCOCC3)nn1)C2 1875332088 DLYQZKGAMNRWLJ-KBPBESRZSA-N 408.466 1.847 0 50 HDAA C=CC(=O)NC[C@@H](NC(=O)c1cn(C)c(=O)n(C)c1=O)c1ccc2ccccc2c1 1875386216 LFYWIYCUERHHEX-GOSISDBHSA-N 406.442 1.011 0 50 HDAA CNC(=O)c1cccnc1N1CCC2(CCc3c(O)nc(N4CCOCC4)nc32)CC1 2100554891 GRQAAUIIQDCAQG-UHFFFAOYSA-N 424.505 1.258 0 50 HDAA CCC(CC)(CNC(=O)c1ccc2c(c1)C(=O)N([C@H]1CCC(=O)NC1=O)C2)C(=O)O 2325897091 OIBYJRXDIYQSME-HNNXBMFYSA-N 415.446 1.068 0 50 HDAA COc1cc(C(C)=O)ccc1OCc1cc(C(=O)N2CCN(C)C(=O)[C@@H]2C)no1 12297545 RQVOFLLVVUHNEW-LBPRGKRZSA-N 401.419 1.768 0 50 HDAA NC(=O)c1ccc(N2CCC[C@@H](CCC(=O)N3CCN(c4ccccn4)CC3)C2)nc1 12431362 GQTWJEUKGXKTHL-SFHVURJKSA-N 422.533 1.921 0 50 HDAA O=C1N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCN(C(=O)c3cccc(Cl)c3)C[C@H]12 14538475 WSADDHMGQOGMGD-ZWKOTPCHSA-N 413.861 1.440 0 50 HDAA CC(=O)Oc1ccccc1C(=O)NCCNC(=O)c1c(O)c2ccccc2oc1=O 22014699 JJSSYKKBJXGWKN-UHFFFAOYSA-N 410.382 1.584 0 50 HDAA NC(=O)C1(N2CCCCC2)CCN(C(=O)CN2CCN(c3ccccc3)CC2)CC1 30822983 WAHXNRVEXLRGHC-UHFFFAOYSA-N 413.566 1.141 0 50 HDAA O=C(C[C@@H]1C(=O)NCCN1Cc1cccs1)NCc1ccc(-n2cncn2)cc1 55042186 MNKRNRHVTLMTCB-GOSISDBHSA-N 410.503 1.336 0 50 HDAA CCS(=O)(=O)N1CCC[C@H](C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)C1 65362502 YJMNSMIGQVYRJR-HNNXBMFYSA-N 406.508 1.485 0 50 HDAA CN1CCN(C(=O)[C@@H]2CCCN(C3CCN(C(=O)c4cccn4C)CC3)C2)CC1 71765440 PDMCPJRIZSJMIX-GOSISDBHSA-N 401.555 1.116 0 50 HDAA O=c1cccc2n1C[C@H]1C[C@@H]2CN(CCN2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)C1 169672163 LEXDAVFCJPDCNA-VNTMZGSJSA-N 406.530 1.548 0 50 HDAA in-vitro CCN(CC)CCCNC(=O)[C@H]1[C@@H]2C(=O)N(c3ccc(OC)cc3)C[C@@]23C=C[C@H]1O3 252383398 XGTPJIBZUWTHLC-URFJDIBFSA-N 413.518 1.830 0 50 HDAA Cc1ccc(C(=O)NC[C@H]2CN(CC3CCN(CC4CC4)CC3)C(=O)CO2)cn1 299793380 GDLPQZVJHKRFPG-FQEVSTJZSA-N 400.523 1.469 0 50 HDAA Cc1nc2ncnn2c(C)c1CCC(=O)Nc1ccccc1N1C(=O)N[C@H](C)C1=O 952977596 QYUIADDQZHOWIQ-GFCCVEGCSA-N 407.434 1.757 0 50 HDAA O=C(CN1C(=O)CNC1=O)N1CCC[C@]2(CCc3cnc(-c4ccccc4)nc32)C1 1704332146 PYFXCOPQPKUHFI-QFIPXVFZSA-N 405.458 1.502 0 50 HDAA Cc1cc(S(=O)(=O)N2C[C@H]3CN(Cc4[nH]cnc4C)C[C@@]3(CO)C2)c(C)s1 1772808502 RXPBXVFQVJNLMT-QAPCUYQASA-N 410.565 1.511 0 50 HDAA O=C(NCc1nnnn1-c1ccccc1)c1cc2c(s1)C1(CCNCC1)OCC2 1857689437 PSXWZNWSVKMYBC-UHFFFAOYSA-N 410.503 1.805 0 50 HDAA NC(=O)Cc1c(C(=O)N2CCN(c3ccc(C(N)=O)cc3)CC2)[nH]c2ccccc12 1875333145 DMKAYMOHEXHISF-UHFFFAOYSA-N 405.458 1.257 0 50 HDAA CCc1nnc(C(=O)N[C@@H]2CC[C@@H]3CN(C(=O)CCc4nc[nH]n4)C[C@H]3C2)s1 1875362282 YRQMVJCORJXETJ-JHJVBQTASA-N 403.512 1.208 0 50 HDAA COc1ncccc1NC(=O)NCc1ccc2c(c1)C(=O)N([C@H]1CCC(=O)NC1=O)C2 2325887011 QIJZEHWQBSKSHY-INIZCTEOSA-N 423.429 1.173 0 50 HDAA O=C1CC[C@H](N2Cc3c(NC(=O)c4ccc5oncc5c4)cccc3C2=O)C(=O)N1 2325895508 BYQGFSGRRXKMSG-INIZCTEOSA-N 404.382 1.841 0 50 HDAA CC(=O)CSc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1cccc(Br)c1 727705 YIHKPWSSGJWFGP-UHFFFAOYSA-N 423.292 1.915 0 50 HDAA COCCC(=O)N1CCC(Oc2ccc(C(=O)N3CC[C@H](N(C)C)C3)cc2)CC1 11768534 HAFDOZSZGXNQCU-SFHVURJKSA-N 403.523 1.869 0 50 HDAA CCN1C(=O)N(CCN(C)C)C(=O)C12CCN(Cc1nc3ccccc3n1C)CC2 14533746 YDINDYIGKPNIDF-UHFFFAOYSA-N 412.538 1.754 0 50 HDAA COC(=O)c1c(OCc2ccncc2)cc(=O)n2c1CCN([C@H]1CCSC1)CC2 14979814 MIZDBVHEVKVROX-INIZCTEOSA-N 415.515 1.973 0 50 HDAA CN(Cc1cccc2cccnc12)C(=O)[C@H]1CCC(=O)N(CCN2CCOCC2)C1 20785543 FKEZFQWTOAZVRA-FQEVSTJZSA-N 410.518 1.764 0 50 HDAA CN(C)C(=O)c1cncc(N2CCC(N3CCC[C@@H](C(=O)N4CCCC4)C3)CC2)n1 71661913 ZDKGEYQGARQUMQ-QGZVFWFLSA-N 414.554 1.482 0 50 HDAA Cc1ccc(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N3CCCN(C)CC3)[C@@H]4C2=O)cc1C 77518312 REVWQCQJVKMNKM-BLRYILKCSA-N 409.530 1.750 0 50 HDAA O=C(O)C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]12 169704075 YCZGLUZMJMOHOP-JVGYHMDPSA-N 405.410 1.082 0 50 HDAA Cc1ccc([C@H](CNC(=O)NCc2ccc(S(N)(=O)=O)cc2)N2CCOCC2)o1 170620982 CVTXUTNAKXYEEU-KRWDZBQOSA-N 422.507 1.108 0 50 HDAA COCCN(CCOC)S(=O)(=O)N(C[C@H](O)CC(C)(C)C)C1CCN(C)CC1 225828995 QHPSCFJWSVSKDJ-GOSISDBHSA-N 423.620 1.019 0 50 HDAA CCN(C(=O)CN1CCC[C@@H](c2ncc(C(F)(F)F)[nH]2)C1)[C@H]1CCS(=O)(=O)C1 252527720 DEVPXQGRNXRWBT-OLZOCXBDSA-N 422.473 1.644 0 50 HDAA COC(=O)CC1CCN(C(=O)C[C@H]2N=C(O)N(CCc3ccccc3)C2=O)CC1 253394266 AKYMQVHFLYXLGE-QGZVFWFLSA-N 401.463 1.546 0 50 HDAA COCCNc1nc2cc(C(=O)NCc3nc(-c4ccncc4)n[nH]3)ccc2n1C 670462341 VBOZOVGYXRHXNP-UHFFFAOYSA-N 406.450 1.742 0 50 HDAA O=C1C[C@H](C(=O)Nc2ccc(OCC(=O)N3CCOCC3)cc2)C2(CCCC2)O1 952868999 FXDALJWRSSUACP-QGZVFWFLSA-N 402.447 1.739 0 50 HDAA Cc1nn(-c2ccccc2)c(C)c1[C@@H]1COCCN1C(=O)CN1CCN(C)C(=O)C1 952887747 WKBORSJZQGXMPT-IBGZPJMESA-N 411.506 1.163 0 50 HDAA CS(=O)(=O)c1ccc(S(=O)(=O)N2CCc3nc[nH]c3[C@H]2c2cccnc2)cc1 952969878 PMLFTRXNGLMZQC-GOSISDBHSA-N 418.500 1.545 0 50 HDAA COc1ccc(N2C[C@H](C(=O)N[C@@H]3CCN(c4cnn(C)c4)C3)CC2=O)c(OC)c1 1322956864 GBLSRCBMXZSRGD-HUUCEWRRSA-N 413.478 1.185 0 50 HDAA CCOC(=O)N1CCN(C(=O)C2(OC)CCN(C(=O)c3cc[nH]c3C)CC2)CC1 1857667183 AJJMUTNXTCLLDH-UHFFFAOYSA-N 406.483 1.245 0 50 HDAA O=C(O)CN1CCC2(CC1)OCCc1cc(C(=O)NC[C@@H]3CCCOC3)sc12 1857687680 ZRRJKHFAVOPBIY-AWEZNQCLSA-N 408.520 1.853 0 50 HDAA CC[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H](O)CC2)C[C@@H]2CN(Cc3cccnc3)CC(=O)N21 1857703600 OMSYEVRTRYJUJQ-LASHMREHSA-N 400.523 1.313 0 50 HDAA NC(=O)NCC(=O)N1CCCOc2cccc(c2)CC[C@H]2CCCCN2C(=O)C1 1857707209 IINJQTHBJCGOOR-QGZVFWFLSA-N 402.495 1.280 0 50 HDAA Cc1cccc(CN2CCOC3(CCN(C(=O)[C@H]4CCCCN4C)CC3)CC2=O)n1 1857707525 VQELGNBUQNOZNU-HXUWFJFHSA-N 414.550 1.984 0 50 HDAA COc1ccccc1-c1noc(CCC(=O)N2C[C@@H]3OCCC(=O)N(C)[C@H]3C2)n1 1857709283 PDOGHRLQNQXUCW-HOCLYGCPSA-N 400.435 1.136 0 50 HDAA Cc1cnc2c(C(=O)N3C[C@@H]4OCCC(=O)N(Cc5ccccc5)[C@H]4C3)cnn2c1 1875241211 QPAMCKAPAZDLTK-OALUTQOASA-N 405.458 1.680 0 50 HDAA Cc1cncc(CC(=O)N2C[C@H]3C[C@H]2CC[C@@H]3NC(=O)c2cccc3c2C(=O)NC3)c1 1875360225 BUYXFNKQELDONK-GGPKGHCWSA-N 418.497 1.985 0 50 HDAA C[C@H]1CN(C(=O)C(=O)N2CCN(c3ccncc3)[C@@H](C)C2)CCN1c1ccncc1 2325770408 TZZOCGKJWYUEHL-ROUUACIJSA-N 408.506 1.251 0 50 HDAA O=C(NCCn1ccnc1)c1cc(NCC2CC2)cc(S(=O)(=O)N2CCCC2)c1 14532677 QUHYUHIHDWQURK-UHFFFAOYSA-N 417.535 1.920 0 50 HDAA Cc1ccc(NC(=O)N[C@H]2C[C@H]3C(=O)N[C@@H](Cc4ccc(O)cc4)C(=O)N3C2)cc1C 14743091 REVJQXNXMJGITC-IHPCNDPISA-N 422.485 1.841 0 50 HDAA COC(=O)C1CCN(C[C@@H](O)COc2cccc(CN3CCC(O)CC3)c2)CC1 15073307 CFRUJXXOHDGFRQ-HXUWFJFHSA-N 406.523 1.268 0 50 HDAA Cc1ccccc1[C@@]1(CC(=O)N2CCN(C)CC2)CC(=O)N(Cc2ccncc2)C1=O 20209708 LIRJJSFHNXXPNR-XMMPIXPASA-N 420.513 1.751 0 50 HDAA C[C@@H]1C[C@@H](C)CN(CCCNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)C1 65361789 ULXHTEHURYMBSN-QZTJIDSGSA-N 423.579 1.805 0 50 HDAA CN1CCN(c2cc(N3CCN(C(=O)c4ccc(F)cc4Cl)CC3)ncn2)CC1 82230721 HTLIFVGALPMOTH-UHFFFAOYSA-N 418.904 1.983 0 50 HDAA COc1ccc([C@@H]2C(C(N)=O)=C(C)N=c3s/c(=C\c4ccccc4)c(=O)n32)cc1 390834899 OPHVOFKUGLWEBJ-LYPXWFNGSA-N 405.479 1.729 0 50 HDAA CCOCC(=O)N[C@@]1(C)CC2(CCN(C(=O)c3cc(O)ccc3F)CC2)OC[C@@H]1O 1704304786 NXHHZHSWLNZBQM-PXNSSMCTSA-N 424.469 1.199 0 50 HDAA O=C(C1CCOCC1)N1C[C@H]2CN(CCCOCc3ccccc3)C[C@]2(CO)C1 1772709286 KJFIFDVCAVEBRN-FYYLOGMGSA-N 402.535 1.773 0 50 HDAA COc1ccnc(C(=O)NC[C@H]2CN(CC3CCN(CC4CC4)CC3)C(=O)CO2)c1 1857672114 KKSMUJMHVLQGSV-IBGZPJMESA-N 416.522 1.169 0 50 HDAA CO[C@H]1C[C@@H](C(=O)NCc2nc(O)n[nH]2)CC[C@@H]1NC(=O)c1ccc(F)cc1F 1857689859 ZQWSGYWMQPIXPB-HERUPUMHSA-N 409.393 1.018 0 50 HDAA Cn1cncc1CN1CCOC[C@@H]1CCNS(=O)(=O)c1ccc(F)cc1F 1857732596 XQIBJCJDUNEYTC-AWEZNQCLSA-N 400.451 1.268 0 50 HDAA CN1C[C@@H]2COC[C@H](C1)N(C(=O)c1cccc(OCC(=O)N3CCCCC3)c1)C2 1875245347 WCCILZXLGUQHSY-HKUYNNGSSA-N 401.507 1.481 0 50 HDAA Cc1cc(CNC(=S)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)nn1C 2853022 ASDYUDQGRGRIEH-UHFFFAOYSA-N 417.520 1.806 0 50 HDAA O=C(NCCN1CCOCC1)c1ccc(N2CCC(NCc3ccccn3)CC2)cc1 12242932 KAEUEARLDPECBL-UHFFFAOYSA-N 423.561 1.902 0 50 HDAA CC(C)[C@H]1NC(=O)[C@H]2CN(Cc3cnn(-c4ccccc4Cl)c3)CCN2C1=O 14540799 RMFAMQDPAJZIMF-QZTJIDSGSA-N 401.898 1.693 0 50 HDAA O=C1CN(C(=O)c2cnccn2)C[C@H](OCc2ccccc2)CN1CC1CCOCC1 14543233 OATUXEZRDUDWAO-HXUWFJFHSA-N 424.501 1.773 0 50 HDAA Cn1nc(C(=O)NCCN2CCOCC2)c2c1CC[C@H](NCc1cccc(F)c1)C2 14733507 LFGVQLNHYSVYAK-SFHVURJKSA-N 415.513 1.268 0 50 HDAA Cc1nc(CCNC(=O)[C@@H]2CCC(=O)N(CCCN3CCOCC3)C2)sc1C 19334342 NRCMXTKAAJPFIF-QGZVFWFLSA-N 408.568 1.380 0 50 HDAA CS(=O)(=O)N1CCC[C@H](C(=O)N2CCN(Cc3c(F)cccc3Cl)CC2)C1 20028721 VOEBPSHLXXWQFL-AWEZNQCLSA-N 417.934 1.795 0 50 HDAA O=C(Cn1cnc2ccccc21)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 38530550 ODMXMEIVGDTVPZ-UHFFFAOYSA-N 407.478 1.012 0 50 HDAA O=C(CCc1cccnc1)N1CCc2cc(S(=O)(=O)N3CCOCC3)ccc2C1 77302385 AYBRCWJINSCSRN-UHFFFAOYSA-N 415.515 1.620 0 50 HDAA CN(Cc1ccccn1)C(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(c4ccc(CCO)cc4)C(=O)[C@H]13)O2 77406952 LRZFSNQLEDXJKH-XARGGIHNSA-N 419.481 1.561 0 50 HDAA CCN1CCN(C(=O)[C@H]2[C@@H]3C=C[C@@]4(CN(Cc5cccc(OC)c5)C(=O)[C@@H]24)O3)CC1 77459054 GRNQMGHBSJTIAF-GJPOJAMWSA-N 411.502 1.141 0 50 HDAA CCOCCC(=O)N1CCc2ccc(S(=O)(=O)Nc3nnc(C)s3)cc2C1 77538635 MXJBHIDMSAIGGB-UHFFFAOYSA-N 410.521 1.959 0 50 HDAA O=C(CNC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1)NC1CCCC1 245254864 CVAFAGRPIWEJEX-QAQDUYKDSA-N 421.563 1.946 0 50 HDAA CCN(CC)C(=O)CN1CCN(CN2C(=O)N[C@]3(C2=O)[C@@H](C)CCC[C@H]3C)CC1 252444519 RFFZUQCTJCKALN-LFUKPOHLSA-N 407.559 1.177 0 50 HDAA COCCN1CCN(c2nnc(COc3ccccc3F)n2C[C@H]2CCCO2)CC1 252494944 OITJKJCGADHWJU-QGZVFWFLSA-N 419.501 1.944 0 50 HDAA COc1ccc(CN2C(=O)[C@@H](CCC(=O)NCc3ccncc3)N=C2O)cc1OC 252540197 OWWNFWVYYZOSEW-MRXNPFEDSA-N 412.446 1.820 0 50 HDAA CCN1Cc2ccccc2C[C@@H]1C(=O)N1CCN(c2cc(C)nc3ncnn23)CC1 952962143 BSAWFMISFVDTKF-LJQANCHMSA-N 405.506 1.528 0 50 HDAA CCc1nn(C)c(Cl)c1CN1CCCN(S(=O)(=O)N2CCCCC2)CC1 952990914 UVERVPZSQKAUFJ-UHFFFAOYSA-N 403.980 1.874 0 50 HDAA CN(Cc1ccc2nsnc2c1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O 1506410035 CUOPDMSXGXHPQZ-UHFFFAOYSA-N 416.484 1.885 0 50 HDAA Cc1cc(S(=O)(=O)N2CCC3(CC2)C(=O)N(C)C(=O)N3C)c(Cl)cc1F 1506422745 DDKZYAAPUKASFL-UHFFFAOYSA-N 403.863 1.835 0 50 HDAA CCc1nccn1CCC(=O)N1CCCN(C(=O)[C@@H](O)c2ccc(F)cc2)CC1 1529154345 KVRCCSMAAKKOPL-FQEVSTJZSA-N 402.470 1.769 0 50 HDAA COc1ccc(CC(=O)O)cc1S(=O)(=O)N1CCC2(CC1)C[C@@](C)(O)CCO2 1704337901 HMQALGIFNTZJLF-SFHVURJKSA-N 413.492 1.407 0 50 HDAA CSc1cccc(NC(=O)N2C[C@@H]3CN(Cc4cnc(N)nc4)C[C@]3(CO)C2)c1 1772804784 UNHHJVATLFRHGB-MGPUTAFESA-N 414.535 1.739 0 50 HDAA CCOC(=O)[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CCN(C(=O)c1ncccc1O)C2 1857686792 IEOBOBDRDQCZMX-DRSNIGMVSA-N 417.506 1.684 0 50 HDAA CN(C)S(=O)(=O)C[C@@H]1CN(C(=O)c2ccc3[nH]c4c(c3c2)CCCC4)C[C@@H]1O 1857735151 KCTBFDQGXAGFSB-LIRRHRJNSA-N 405.520 1.371 0 50 HDAA CC(C)c1ccc([C@@H](C)NC(=O)CN(C)CC(=O)N[C@H]2CCS(=O)(=O)C2)cc1 1875253133 RLHNARMYFCHBKN-QAPCUYQASA-N 409.552 1.222 0 50 HDAA NC(=O)[C@H]1CCS(=O)(=O)C12CN(C(=O)c1cc(C3CC3)nc(C(F)(F)F)c1)C2 1875329875 HUDDYTUMQPKNAY-LLVKDONJSA-N 417.409 1.092 0 50 HDAA COc1cccc(-c2cn(-c3ccc4c(c3)CN([C@H]3CCC(=O)NC3=O)C4=O)nn2)n1 1875355771 PZSXTJBTAWVQMD-KRWDZBQOSA-N 418.413 1.099 0 50 HDAA CC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)CN2C(=O)c3ccccc3C2=O)cc1 1131187 DDYKDKIOZYSSRK-CYBMUJFWSA-N 415.471 1.998 0 50 HDAA NC(=O)c1c(NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)sc2c1CCCC2 2841617 SYAWAHGKHLUCAU-UHFFFAOYSA-N 419.484 1.509 0 50 HDAA Cn1c(=O)c2c(nc(NC[C@@H]3CCCO3)n2Cc2ccc(Cl)cc2)n(C)c1=O 12342503 ZTQOBXZNNZSSIN-AWEZNQCLSA-N 403.870 1.726 0 50 HDAA O=C(NCc1cccc(N2CCCC2)c1)[C@@H]1CCC(=O)N(CCN2CCOCC2)C1 20778091 MQNWFQIELPXHRU-HXUWFJFHSA-N 414.550 1.474 0 50 HDAA COc1ccc(S(=O)(=O)N2CCN(CC(=O)NCCc3ccccc3)CC2)cc1 35889345 BXTPQEMGNURVHX-UHFFFAOYSA-N 417.531 1.360 0 50 HDAA COc1cccc(NC(=O)N2CCN(c3cc(C)nc(N4CCOCC4)n3)CC2)c1 64800404 LSZPWAVERLHXNB-UHFFFAOYSA-N 412.494 1.984 0 50 HDAA CC(=O)NCCNC(=O)[C@@H]1CCCN(C2CCN(c3nc4ccccc4o3)CC2)C1 82119918 YSZJRTXBYXYIRF-QGZVFWFLSA-N 413.522 1.761 0 50 HDAA COc1ccc(CN(C)Cc2ccco2)cc1OC[C@@H](O)CN1CCN(C)CC1 95511372 PUSHVXZXOUGPRR-IBGZPJMESA-N 403.523 1.907 0 50 HDAA Cc1cn([C@@H]2O[C@H](CC(=O)Oc3ccccc3)[C@H]3OC(C)(C)O[C@@H]32)c(=O)[nH]c1=O 103406961 LYVAXTPGEBXFJT-NYCLONFESA-N 402.403 1.258 0 50 HDAA O=C(CCNC(=O)[C@@H]1C[C@H]1c1c(F)cccc1Cl)N[C@H]1CCS(=O)(=O)C1 239367395 AIMGSFPXRFGGOU-QJPTWQEYSA-N 402.875 1.392 0 50 HDAA Cc1cccc(Cl)c1C(=O)N1CCCN(C(=O)CCCS(N)(=O)=O)CC1 1529172043 GHDKWNCDESJYFN-UHFFFAOYSA-N 401.916 1.392 0 50 HDAA Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1NC(=O)CN1CCc2ccccc2C1 1529194836 DFOUIYVQEFLAJP-GOSISDBHSA-N 402.520 1.856 0 50 HDAA C[C@H]1CN2C(=O)CCCc3cn(nn3)CCOc3cccc(c3)CC(=O)N1C[C@H]2C 1704327237 AJGLZYAVBYWCFL-SJORKVTESA-N 411.506 1.684 0 50 HDAA COCCn1ccnc1CN1C[C@H]2CN(C3CSCCSC3)C[C@@]2(CO)C1 1772708461 DCDCEELYAYRJMG-QFBILLFUSA-N 412.625 1.104 0 50 HDAA Cc1cc(=O)cc(C(=O)N2C[C@@H]3CN(C(=O)c4cc(C)oc4C)C[C@]3(CO)C2)o1 1772712336 PCDMPKHDVSBSDS-YCRPNKLZSA-N 400.431 1.365 0 50 HDAA Cc1nonc1CC(=O)N1C[C@@H]2[C@H](CNC(=O)CCCC(C)C)[C@H]3CC[C@]2(C1)O3 1857722533 XNSFBSOQNOSJSH-LTVCHDBBSA-N 404.511 1.869 0 50 HDAA CCn1nc(C)c(NC(=O)CN2CC[C@H](O)[C@@](CO)(Cc3ccc(F)cc3)C2)c1C 1857724414 CMGRVBFDHCUDCO-UGKGYDQZSA-N 418.513 1.885 0 50 HDAA COCCn1nnc([C@H]2CN(C(=O)c3cc4cccc(Cl)c4n3C)CCO2)n1 1857739483 LKZZFAIUKCBQMK-OAHLLOKOSA-N 404.858 1.678 0 50 HDAA Cc1nc2nnnn2c(C)c1CCC(=O)NS(=O)(=O)[C@@H](c1ccccc1)C(C)C 1875254993 SLUUNPPBIGUQKB-GOSISDBHSA-N 416.507 1.912 0 50 HDAA Cc1cncc(C(=O)NC[C@H]2CC3(CCOCC3)CN2C(=O)c2ccc(O)nn2)c1 1875359183 XHDREQYIIQWDIB-MRXNPFEDSA-N 411.462 1.327 0 50 HDAA COc1cc(OC)cc(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 917324 VJIORYWZQGTYMS-UHFFFAOYSA-N 406.460 1.977 0 50 HDAA COc1ccc(OC[C@H](O)CN2CCC(O)CC2)c(CNCC2CCOCC2)c1 15066209 ROPHNXGGRBUBKV-HXUWFJFHSA-N 408.539 1.408 0 50 HDAA CN(Cc1cnn(C)c1)C(=O)C[C@@H]1C(=O)NCCN1Cc1ccc(F)cc1Cl 55569080 XIXZJXBPBUMRMI-QGZVFWFLSA-N 407.877 1.562 0 50 HDAA CN1CCN(S(=O)(=O)c2cccc(C(=O)NCCCN3CCCCC3)c2)CC1 65363576 XEAOUUJQZUEGJJ-UHFFFAOYSA-N 408.568 1.229 0 50 HDAA Cc1ccc(F)cc1S(=O)(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 72119432 CFFDSBSVDICVMT-UHFFFAOYSA-N 421.498 1.272 0 50 HDAA Cn1ccnc1CN(C(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(Cc4cccnc4)C(=O)[C@H]13)O2)C1CC1 77517099 CGPAZGQKWGFPHX-UDSSINMLSA-N 419.485 1.288 0 50 HDAA Cn1c(CN2C[C@@H](c3ccccc3)CC2=O)nn([C@@H]2CC(=O)[C@H]3OC[C@H]2O3)c1=S 254396744 CIQDWPCJZMFIIY-ZDXGLAPJSA-N 414.487 1.723 0 50 HDAA C[C@H](NC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 748846249 KSWOULCMLAJCIF-RRFJBIMHSA-N 405.499 1.914 0 50 HDAA CO[C@H](C)[C@H](NC(=O)c1cncc(F)c1)c1cn(-c2cncc(C(=O)O)c2)nn1 1875324904 NORFANPJLZZOCS-HWPZZCPQSA-N 400.370 1.401 0 50 HDAA CCN1C[C@H](C(=O)N2CCCC[C@H](NC(=O)c3c(N)cccc3F)C2)CCC1=O 2325864143 HRHHAQFWZUDQJF-CABCVRRESA-N 404.486 1.777 0 50 HDAA O=C(OCc1ccc2c(c1)OCO2)c1ccc(S(=O)(=O)N2CCOCC2)cc1 908924 MLQVWBZMEPJGQM-UHFFFAOYSA-N 405.428 1.793 0 50 HDAA CC(C)C(=O)O[C@@H]1C[C@H](n2ccc(NC(=O)c3ccccc3)nc2=O)O[C@H]1CO 1075673 MQAQCZHMPJARFY-HLLBOEOZSA-N 401.419 1.343 0 50 HDAA CCOC(=O)c1sc(NC(=S)NN2CCOCC2)c(C(=O)OCC)c1C 1120215 NTRCYPUVOJNOCB-UHFFFAOYSA-N 401.510 1.944 0 50 HDAA COC(=O)c1ccc(C)c(NC(=O)CN(c2ccc3c(c2)OCO3)S(C)(=O)=O)c1 2885137 ZGBYSXIKDFHKHM-UHFFFAOYSA-N 420.443 1.915 0 50 HDAA OC[C@@H]1O[C@H](Nc2ccc(-c3ccc(N[C@@H]4C[C@@H](O)[C@H](CO)O4)cc3)cc2)C[C@@H]1O 4042275 ZFHIYGZRUYXRLI-WVYKEMLSSA-N 416.474 1.114 0 50 HDAA CCc1c(C(=O)NCCN2CCOCC2)c(=O)cc(C)n1CCN1CCCCC1 14881551 KCSDGAYGEUWWOS-UHFFFAOYSA-N 404.555 1.267 0 50 HDAA C[C@@H](C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1)N1C(=O)c2ccccc2C1=O 19973667 YHDONQYBHDKFTG-HNNXBMFYSA-N 421.453 1.744 0 50 HDAA CCN1CCN(C[C@@H](O)COc2cccc(CN(C)Cc3cc(C)no3)c2)CC1 20362817 SQJKGKJDJVKEJG-HXUWFJFHSA-N 402.539 1.992 0 50 HDAA CC1(C)CC(=O)c2cnc(NC(=O)CN3CCN(C(=O)c4ccco4)CC3)nc2C1 35810139 XVMNWKZCLVJBHO-UHFFFAOYSA-N 411.462 1.621 0 50 HDAA O=C(CN1C(=O)CSC1=O)N1CCC[C@H](N2CCN(c3ccccc3F)CC2)C1 55154796 AVDIOLSKBDJARJ-HNNXBMFYSA-N 420.510 1.634 0 50 HDAA CCCCN1CCN([C@@H](C(=O)N(C)C2CCOCC2)c2ccccc2)C(=O)C1=O 77358582 JTIMPVUBKGVFNT-LJQANCHMSA-N 401.507 1.836 0 50 HDAA COC[C@H]1CCCN1Cc1ccc(C(=O)NCc2cn3cc(C)sc3n2)c(=O)[nH]1 77488014 FSYZUQINEPIUJR-MRXNPFEDSA-N 415.519 1.933 0 50 HDAA COCCN1C(=O)C[C@@H](CN[C@@H](C)C(C)(C)n2cncn2)[C@@H]1c1cnn(C)c1C 225412679 VXDWWOMKOQHURZ-TXPKVOOTSA-N 403.531 1.269 0 50 HDAA Cc1ccc(SC2CCN(C(=O)c3cc4n(n3)C[C@@H](O)CNC4=O)CC2)cc1 426442480 DCZXIGAPDUVSIK-AWEZNQCLSA-N 400.504 1.693 0 50 HDAA Cc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NCc2ccccc2-n2ccnc2)o1 827801719 WLFXAASNVCBHMD-HXUWFJFHSA-N 407.474 1.781 0 50 HDAA FC(F)(F)[C@@]1(c2nc(-c3cccnc3)no2)CCN(c2nccn3nnnc23)C1 952895302 ZPTQZNBWNKSDRO-HNNXBMFYSA-N 403.328 1.675 0 50 HDAA Cc1nnn(C23C[C@H]4C[C@@H](CC(NC(=O)c5nc(N)nc6c5CCCC6)(C4)C2)C3)n1 952978090 POGRBKNWCNNEGM-SUXCYGLUSA-N 408.510 1.710 0 50 HDAA COc1cc(C)c(C)cc1S(=O)(=O)N1CCN(c2cc(C)nc3ncnn23)CC1 1506423254 VBELTEDQKCEMPP-UHFFFAOYSA-N 416.507 1.569 0 50 HDAA Cc1nccc(-c2ccccc2)c1C(=O)N[C@H]1COC[C@H]1CS(=O)(=O)N(C)C 1704298793 JUZMYFLMHPCAOT-WMZOPIPTSA-N 403.504 1.693 0 50 HDAA CSCC(=O)N1C[C@H]2CN(C(=O)c3n[nH]c4ccccc34)C[C@@]2(CN(C)C)C1 1772709683 IYLPESRHGLEWOO-VBKZILBWSA-N 401.536 1.388 0 50 HDAA Cc1cc(-c2cc(S(=O)(=O)N3C[C@@H]4CCOC[C@]4(C(=O)O)C3)c(C)s2)n[nH]1 1857669462 HYFLWFMPEMDUKC-YVEFUNNKSA-N 411.505 1.867 0 50 HDAA Cc1ccc2cc1OCCNC(=O)C[C@@H]1CC[C@H](CNC2=O)N1C(=O)c1cc[nH]c1 1857708856 QWDYROLOBFYIEC-ZWKOTPCHSA-N 410.474 1.625 0 50 HDAA COc1ccc(-n2ccnc2-c2nccn2CCS(=O)(=O)N2CCOCC2)cc1 1857740189 CFYZUHSZSMWVCP-UHFFFAOYSA-N 417.491 1.406 0 50 HDAA CCCN=c1[nH]c(C(C)(C)C)nc2c1CC[C@]21CCCN(C(=O)CNC(C)=O)C1 1875245146 LYIGQKFOYFCHLY-QFIPXVFZSA-N 401.555 1.960 0 50 HDAA Cn1cc(CN2CCC[C@]3(CCc4c3nc(-c3cccnc3)[nH]c4=NCCO)C2)cn1 1875249786 ASOKYBAUDSSSEQ-QHCPKHFHSA-N 419.533 1.578 0 50 HDAA CNC(=O)c1cc(=NC(=O)[C@H]2CCCN2C(=O)c2ccc(Br)cc2)[nH][nH]1 1875326915 KZYZRZUFRQVQCY-CYBMUJFWSA-N 420.267 1.197 0 50 HDAA COc1ccccc1N1CCC[C@H](NC(=O)CCCCN2C(=O)CCC2=O)C1=O 1875348100 XHTKIZIHSXRGOE-HNNXBMFYSA-N 401.463 1.626 0 50 HDAA COCc1nnc(N2C[C@H](C(=O)N3CC4(COc5ccccc5C4)C3)CC2=O)s1 2100555349 RWSIMTJAGMNWER-CQSZACIVSA-N 414.487 1.501 0 50 HDAA NC(=O)CN1C(=O)N(CCc2ccccc2)C2(CCN(Cc3ccccn3)CC2)C1=O 14534187 GNJKGEVAVHYYTJ-UHFFFAOYSA-N 421.501 1.408 0 50 HDAA NC(=O)C1(N2CCCCC2)CCN([C@@H]2CC(=O)N(CCc3ccccc3)C2=O)CC1 18324322 NDZYVJKKAZUJAO-LJQANCHMSA-N 412.534 1.162 0 50 HDAA O=C1CCCN1CCCN1C[C@H](C(=O)N2CCN(CC3CCCC3)CC2)CCC1=O 19770638 FDLZATUNHVNVQB-HXUWFJFHSA-N 418.582 1.572 0 50 HDAA COc1cc(C(=O)NCCNc2cc(N3CCCC3)ncn2)cc(OC)c1OC 72115783 OZEDDTMOPCHOER-UHFFFAOYSA-N 401.467 1.945 0 50 HDAA CCn1cnnc1CN(C)C(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(c4ccc(F)cc4)C(=O)[C@@H]13)O2 77378800 HDQNCZUECGZUHE-VZRKHXGSSA-N 411.437 1.382 0 50 HDAA Cc1noc(CN(C)C(=O)[C@@H]2[C@@H]3C=C[C@@]4(CN(c5ccc(F)cc5C)C(=O)[C@H]24)O3)n1 77379023 LISVHAWMTBTLBE-DKXUYOFUSA-N 412.421 1.771 0 50 HDAA NC(=O)CC[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]12 227235124 HJTRJQIINHODFY-JVGYHMDPSA-N 422.416 1.016 0 50 HDAA CCn1ccnc1CN1CCN(CCC(=O)Nc2sccc2C(N)=O)C[C@H]1C 252506795 VBAKNNODGVRKAE-CQSZACIVSA-N 404.540 1.598 0 50 HDAA COC(=O)[C@@H](Cc1ccccc1)NC(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O 252509298 YKCSAQVXBBPFOJ-MRXNPFEDSA-N 401.463 1.484 0 50 HDAA COC[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CCN(CC(=O)N1C[C@H](C)O[C@H](C)C1)C2 1506413009 GOHDHBPUPSUHTF-RRPPUSTOSA-N 423.598 1.462 0 50 HDAA O=C1CCCCCN1CCC(=O)N1C[C@H]2COC[C@@H](C1)CN2Cc1cccnc1 1704309545 XEISQWDYTHFLPV-UXHICEINSA-N 400.523 1.534 0 50 HDAA O=C(O)c1cc2c(nc1N1C[C@H]3CN(Cc4ccns4)C[C@]3(CO)C1)CCC2 1772805963 SAWXFRKZUBFXJF-JLTOFOAXSA-N 400.504 1.656 0 50 HDAA O=C(CN1CCCC2=C[C@H]3C[C@@H](CN4CCCC[C@H]34)[C@@H]21)N[C@@H]1CCS(=O)(=O)C1 1775973977 TVMUGKQFAKHSJQ-WXRGLTTHSA-N 407.580 1.185 0 50 HDAA O=C(O)c1cc2c(s1)CCOC21CCN(C(=O)CCc2ccc(O)nn2)CC1 1857706579 LUFPSXSVFODVIY-UHFFFAOYSA-N 403.460 1.965 0 50 HDAA CN(C)[C@H]1CS(=O)(=O)[C@H]2CN(C(=O)Cn3c(C4CC4)nc4ccccc43)C[C@@H]12 1857710640 IJFFMYWOBFLXGY-WBAXXEDZSA-N 402.520 1.099 0 50 HDAA CC(C)OCCS(=O)(=O)N1CCN(C(=O)c2ccc(Nn3ccnc3)cc2)CC1 1875353218 MYSZQHACPFZAIP-UHFFFAOYSA-N 421.523 1.271 0 50 HDAA CC(C)N1C(=O)c2ccc(C(=O)NN3CC[C@@H](C(F)(F)F)C3)cc2S1(=O)=O 2325727217 RKXFMIZYJIJIKK-LLVKDONJSA-N 405.398 1.769 0 50 HDAA COC[C@@H]1CCCN1S(=O)(=O)N1CCC2(CC1)OCCc1cc(OC)ccc12 2356160483 UOHFKOINOOPDKQ-KRWDZBQOSA-N 410.536 1.915 0 50 HDAA COC(=O)C[C@@H]1C(=O)NCCN1C(=S)NC(=O)c1ccc(-c2ccccc2)cc1 4867612 OYPZAXGOJLQBBY-QGZVFWFLSA-N 411.483 1.732 0 50 HDAA COc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)N2CCOCC2)CC1 6703739 DWGQKCNKVHECNX-UHFFFAOYSA-N 402.900 1.608 0 50 HDAA CCOc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)N(C)Cc2nccs2)cc1 11934325 NOZSSDKBMWIWCL-KRWDZBQOSA-N 402.520 1.891 0 50 HDAA Cc1nn(C)c(Cl)c1CN1CC[C@@H](N2CCN(c3ccccn3)CC2)[C@H](O)C1 12711707 VLUHHXKATHCLGC-QZTJIDSGSA-N 404.946 1.534 0 50 HDAA NCCCC[C@@H]1NC(=O)[C@H]2CN(C(=O)c3cc(Cl)cc(Cl)c3)CCN2C1=O 14540410 CNJVPQGAYZYBKI-LSDHHAIUSA-N 413.305 1.274 0 50 HDAA O=S(=O)(c1ccc(F)cc1F)N1CCN(c2ccnc(N3CCCC3)n2)CC1 72117599 POHPZTOZDZWLRY-UHFFFAOYSA-N 409.462 1.866 0 50 HDAA CN(C)[C@@H]1CCN(CCCN2CC3(CCN(Cc4cccnc4N)CC3)OC2=O)C1 72473819 VCIVRBLCYYQWFU-LJQANCHMSA-N 416.570 1.477 0 50 HDAA O=C(CCNC(=O)[C@@H]1C[C@H]1c1c(F)cccc1Cl)N[C@@H]1CCS(=O)(=O)C1 170636865 AIMGSFPXRFGGOU-IJLUTSLNSA-N 402.875 1.392 0 50 HDAA Cc1nc(S(=O)(=O)N2CCC[C@H](n3ncc(N(C)C(C)C)cc3=O)C2)cn1C 328606985 UKUOOHLXCWFDAZ-HNNXBMFYSA-N 408.528 1.156 0 50 HDAA O=C(CNC(=O)c1ccc(F)c(F)c1)NCc1ccccc1CN1CCC(O)CC1 470514621 YHHLXQUPAHNUFM-UHFFFAOYSA-N 417.456 1.968 0 50 HDAA c1nnn(C23C[C@H]4C[C@@H](CC(NCc5cnc(N6CCOCC6)s5)(C4)C2)C3)n1 952861038 BQLPDDJHSILGEF-GKVPXEHWSA-N 401.540 1.804 0 50 HDAA O=C(c1cnc(N2CCOCC2)nc1)N1C[C@H](O)[C@H](Cc2ccnc3ccccc23)C1 1704348796 WYANYVLKSQGLBE-UTKZUKDTSA-N 419.485 1.537 0 50 HDAA Cn1ccnc1C(=O)N1CCC(N2C[C@H](COc3ccc(F)cc3)OCC2=O)CC1 1857679361 IUHOAMYDXKRKLI-GOSISDBHSA-N 416.453 1.470 0 50 HDAA COCCNC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2 2995054 IGDLOMYZEPBKNG-UHFFFAOYSA-N 424.450 1.555 0 50 HDAA O=C1CN(C(=O)[C@H]2CCOC2)C[C@H](OCc2ccccn2)CN1Cc1ccccc1 14537185 RXZKJXZQFZOGMH-PZJWPPBQSA-N 409.486 1.874 0 50 HDAA CC(=O)c1cccc(NC(=O)CN2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c1 35889335 UFUMTBMTCQYHLS-UHFFFAOYSA-N 419.478 1.973 0 50 HDAA CCc1nc(-c2c3n(c(=O)n(Cc4ccc(C(=O)OC)o4)c2=O)CCCC3)no1 169763866 KDBWLAXOAJSPLZ-UHFFFAOYSA-N 400.391 1.387 0 50 HDAA CCN1CCC[C@@H]1CNC(=O)C[C@H]1NC(=O)N(Cc2ccc(OC)c(OC)c2)C1=O 223222995 NKWRFWXZSZUDIA-HZPDHXFCSA-N 418.494 1.115 0 50 HDAA O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)[C@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)O 225745368 ZITMHXHZSJKQLC-MGBSGCIJSA-N 408.476 1.393 0 50 HDAA CC[C@@]1(C)NC(=O)N(NC(=O)CN2CCC[C@H]2c2ccc3c(c2)OCCO3)C1=O 239351906 AALWQLQQEOJFGP-VBKZILBWSA-N 402.451 1.346 0 50 HDAA N[C@@H]1CC[C@H](CCNC(=O)N2CCC(c3nccc(N4CCOCC4)n3)CC2)C1 952894445 QYRXMPAITUVMDM-SJLPKXTDSA-N 402.543 1.720 0 50 HDAA CC(C)n1cc2c(n1)[C@@H](NC(=O)Cc1ccc(S(=O)(=O)CCO)cc1)CCC2 1342046052 JDRIZTXCDPILQP-SFHVURJKSA-N 405.520 1.966 0 50 HDAA O=C(NC[C@H](O)CN1CCCCC1)c1c(N2CCOCC2)noc1-c1ccccc1 1704303640 AEMIEVGADYUVOO-SFHVURJKSA-N 414.506 1.755 0 50 HDAA COc1cc2c(cc1CN1C[C@H]3CN(Cc4nccn4C)C[C@@]3(CO)C1)OCO2 1772704476 IVIDDFLRCZQBQU-HRAATJIYSA-N 400.479 1.084 0 50 HDAA CSc1cccc(NC(=O)N2C[C@H]3CN(Cc4cnc(N)nc4)C[C@@]3(CO)C2)c1 1772804785 UNHHJVATLFRHGB-QRWLVFNGSA-N 414.535 1.739 0 50 HDAA O=C(N[C@H]1CS(=O)(=O)C[C@H]1NC1CCCCCC1)c1ccccc1-c1nc[nH]n1 1772811267 RRLOKIQMKKJHFT-MSOLQXFVSA-N 417.535 1.680 0 50 HDAA CNC(=O)CCCn1cc(-n2ccnc2-c2cnc(NC[C@@H]3CCCO3)nc2)cn1 1857688155 VYPZJPQYKSQPKV-KRWDZBQOSA-N 410.482 1.643 0 50 HDAA CN1CC[C@]2(C(=O)NC3CCOCC3)CCCN(C(=O)c3ncccc3O)[C@H]2C1 1857704285 MAAOHCFOSCHPLD-LAUBAEHRSA-N 402.495 1.009 0 50 HDAA O=C1CCCN(C(=O)c2cscn2)CCCNC(=O)c2ncccc2OCCN1 1857707227 JJPYEUOMTKKGHO-UHFFFAOYSA-N 417.491 1.089 0 50 HDAA CCn1nccc1C(=O)N1CCC2(CCc3c(O)nc(N4CCOCC4)nc32)CC1 1857722608 JNSFYSWTYDWANZ-UHFFFAOYSA-N 412.494 1.355 0 50 HDAA COc1ccc(F)cc1C(=O)N[C@@H]1CN(C(=O)C[C@H]2CCNC2=O)CC2(CC2)C1 1875335270 ZJGYHAUSKIUSNK-HIFRSBDPSA-N 403.454 1.471 0 50 HDAA Cc1cc(C)cc(OCC(=O)N2Cc3ccccc3C[C@@H]2C(=O)NS(C)(=O)=O)c1 1875390849 UREXLBGWCVOUEG-LJQANCHMSA-N 416.499 1.712 0 50 HDAA COc1cc(CN2CCC3(CCc4c(O)nc(N5CCOCC5)nc43)CC2)ccn1 2100482464 AYAYGGDUXMPSGA-UHFFFAOYSA-N 411.506 1.902 0 50 HDAA C=CC(=O)N1CCC[C@H](C(=O)N2CCc3c(cccc3S(=O)(=O)N(C)C)C2)C1 2325889488 TTXZNWQULNRVOB-INIZCTEOSA-N 405.520 1.246 0 50 HDAA CCn1nc(C(=O)N2CCCN(C)CC2)c2c1CC[C@@H](NCC1(O)CCCCC1)C2 20166177 UIXQXBINUCKKCD-GOSISDBHSA-N 417.598 1.823 0 50 HDAA CCOC(=O)c1cc(C)nc2c1c(=O)n(CC(=O)Nc1cccc(C)c1C)c(=O)n2C 20168570 XZCFAGWERFDULS-UHFFFAOYSA-N 424.457 1.836 0 50 HDAA CCOC(=O)N1CCN([C@@H]2CCCN(C(=O)c3n[nH]c(=O)c4ccccc34)C2)CC1 55042017 CNCOSTMSZOQQGS-OAHLLOKOSA-N 413.478 1.302 0 50 HDAA COc1cc(OC)nc(N2CCC(N3CCC[C@H](C(=O)N4CCCC4)C3)CC2)n1 71775954 CJIGFFZDHDAAMW-INIZCTEOSA-N 403.527 1.797 0 50 HDAA CCOc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H]3C(=O)NCC[C@@H]3C)CC2)cc1 225658414 ADCQNXIQIGFVPO-KBXCAEBGSA-N 423.535 1.127 0 50 HDAA CC(C)(C)OC(=O)N1CC2(C1)CS(=O)(=O)C[C@H]2NC(=O)OCc1ccccc1 258831238 JQJKIGGXMBDQBJ-OAHLLOKOSA-N 410.492 1.947 0 50 HDAA CCS(=O)(=O)N1CCC(Nc2nn3c(C(F)(F)F)nnc3c(C)c2C)CC1 301751742 VDYBNHBWLVHJBK-UHFFFAOYSA-N 406.434 1.986 0 50 HDAA O=C(N[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1)[C@H]1CCCO1 481571941 OYXVUCCGRLYLKP-UKRRQHHQSA-N 417.325 1.897 0 50 HDAA Cc1cc(C(=O)N[C@@H](C)CN2CCc3ccccc3C2)c2c(O)nc(=O)n(C)c2n1 821809982 GKARNWSVBRLZDC-AWEZNQCLSA-N 407.474 1.519 0 50 HDAA CCc1nnc(N2C[C@@H](C(=O)NCCNC(=O)c3ccc(F)cc3)CC2=O)s1 1857719274 HYADWIOTBMVMQS-LBPRGKRZSA-N 405.455 1.139 0 50 HDAA Cc1ccc(-c2cn(CCCCCNC(=O)CCn3ccc(O)nc3=O)nn2)nc1 2325869048 XEQPMHXEKOCXHY-UHFFFAOYSA-N 411.466 1.288 0 50 HDAA C[S@@](=O)(=NC(=O)C1=CS(=O)(=O)CCC1)C1CCN(C(=O)[C@@H]2CC2(F)F)CC1 2332238583 DJYMJMBQOXSQIX-NRRJATNASA-N 424.491 1.350 0 50 HDAA O=C(Nn1cnnc1)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(F)cc1 949193 QHLLGFWEWUQOBM-QGZVFWFLSA-N 401.423 1.303 0 50 HDAA COC(=O)C1=C(C)Nc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1cccc(Br)c1 951745 KYNNINFIHHJFQP-ZDUSSCGKSA-N 420.263 1.851 0 50 HDAA Cc1ccccc1CCN1CCC[C@@H](CN(C)C(=O)CN2CCC(C(N)=O)CC2)C1 12314028 DCAQWVJGDXHGNS-FQEVSTJZSA-N 414.594 1.905 0 50 HDAA O=C1N[C@H](Cc2ccccc2)C(=O)N2CCN(C(=O)c3cc(F)c(F)cc3F)C[C@H]12 14746936 PSMXZDCLXCJYMQ-QZTJIDSGSA-N 417.387 1.498 0 50 HDAA O=S(=O)(NCCCN1CCOCC1)c1ccc(I)cc1 19619371 WEFGQYOIWCQPST-UHFFFAOYSA-N 410.277 1.292 0 50 HDAA CCOCCCNCc1ccc(OC[C@H](O)CN2CCN(CC)CC2)c(OC)c1 20910577 KZUXDRHEGVQDLZ-HXUWFJFHSA-N 409.571 1.589 0 50 HDAA C[C@H](O)[C@@H]1CCN(C(=O)C(=O)NC[C@@H](c2ccccc2Cl)N2CCOCC2)C1 328590088 WXKJSGOTGYMCEO-DAYGRLMNSA-N 409.914 1.059 0 50 HDAA CN1CCN(CCNC(=O)c2cccc(NC(=O)[C@H]3Cc4ccccc4O3)c2)CC1 410178968 NMWSQSCNRRWQSR-OAQYLSRUSA-N 408.502 1.606 0 50 HDAA COc1ccc([C@H](C(=O)O)N2CCCN(S(=O)(=O)N3CCCCC3)CC2)cc1 1506408587 UCBFMXWVLFUSEM-GOSISDBHSA-N 411.524 1.559 0 50 HDAA Cc1cc(C[C@H]2CN(Cc3cccc(OCCN4CCOCC4)c3)C[C@@H]2O)on1 1615736114 UKHDOYIWJRSGFM-UGKGYDQZSA-N 401.507 1.729 0 50 HDAA Cc1cc(C(=O)N2C[C@H]3CN(S(=O)(=O)CC(C)C)C[C@@]3(CN(C)C)C2)nc(C)n1 1772818280 BYURZVOWTHKYLU-FXAWDEMLSA-N 423.583 1.015 0 50 HDAA Cn1cc(C(=O)N2CCC(N3C[C@H](COc4ccc(F)cc4)OCC3=O)CC2)cn1 1857675708 CWIXGTJHCRLTJU-LJQANCHMSA-N 416.453 1.470 0 50 HDAA Cc1ccc(-c2ccnc(N[C@@H]3C[C@H]4CO[C@@H](CC(=O)N(C)C)CN4C3)n2)c(C)n1 1857684315 IIIKDZCGINYCHU-SQNIBIBYSA-N 410.522 1.887 0 50 HDAA O=C(NC[C@@H]1CC2(CCOCC2)CN1C(=O)c1ccc2c(c1)COC2)c1cncnc1 1875361604 WNKXBCUIOIDPRS-FQEVSTJZSA-N 422.485 1.948 0 50 HDAA COc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(OC)cc(OC)c3)CC2)cc1 779541 JZBYNOWDTMILSK-UHFFFAOYSA-N 420.487 1.859 0 50 HDAA O=C(CN1C(=O)c2ccccc2C1=O)O[C@@H]1CSC[C@@H]1NC(=O)c1ccccc1 1071195 CNEAINCFEWGLJK-DLBZAZTESA-N 410.451 1.740 0 50 HDAA NC(=O)c1ccccc1NC(=O)CSc1nc(O)c(Cc2ccccc2)c(=O)[nH]1 10076925 PGIIYJUZKNUHQB-UHFFFAOYSA-N 410.455 1.896 0 50 HDAA COCCNC(=O)c1cn([C@H]2CCCN(C(=O)Cc3cccc(Cl)c3)C2)nn1 11813880 LZBZLCIGIBXWLT-INIZCTEOSA-N 405.886 1.714 0 50 HDAA COc1cc(F)ccc1CN1CC[C@@H](N2CCN(c3ccccn3)CC2)[C@H](O)C1 12439241 PPDRMBMCMKRSEM-WOJBJXKFSA-N 400.498 1.987 0 50 HDAA CN(CCN1CCOCC1)C(=O)C[C@@H]1C(=O)NCCN1Cc1cccc2ccccc12 14973706 AWTVLQDLYWZENK-JOCHJYFZSA-N 424.545 1.321 0 50 HDAA CCOc1ccc(N2C(=O)C[C@H](NCc3ccc(S(N)(=O)=O)cc3)C2=O)cc1 18190518 HKMSUFHQHIJFEW-KRWDZBQOSA-N 403.460 1.154 0 50 HDAA CCCCN1CCN([C@@H](C(=O)N(C)Cc2noc(C)n2)c2ccccc2)C(=O)C1=O 77422584 NXAMGWRQDNKXDB-GOSISDBHSA-N 413.478 1.549 0 50 HDAA CC(C)NC(=O)CN1CCC(N2CCC[C@@H](C(=O)NCc3ccccn3)C2)CC1 82121088 ZVIJJXDKNJGUEJ-GOSISDBHSA-N 401.555 1.399 0 50 HDAA O=C(COc1ccc2occ(C(=O)c3ccco3)c2c1)N[C@@H]1CCS(=O)(=O)C1 170622130 VISMKJSOJPUQLY-GFCCVEGCSA-N 403.412 1.939 0 50 HDAA C[C@H](CNC(=O)[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)O)NC(=O)[C@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)O 245227980 UVEYHRIJZVRJOR-BEDBCAOQSA-N 406.479 1.101 0 50 HDAA CC[C@H](C)c1ccc(S(=O)(=O)N(CC)CC(=O)N[C@H]2CCS(=O)(=O)C2)cc1 245265784 IBCZXSNWJROFRI-HOCLYGCPSA-N 416.565 1.514 0 50 HDAA Cn1c(S)nnc1[C@@H]1CCCN(C(=O)c2ccc(CN3CCOCC3)cn2)C1 252488647 IWDBUXPBFSSFEW-OAHLLOKOSA-N 402.524 1.351 0 50 HDAA CCOC(=O)C(C(=O)OCC)[C@H]1[C@@H]2C(=O)[C@H]3[C@@H]4[C@H]2[C@H]2[C@H]1C(=O)[C@H]1[C@H]5CC[C@@H]3[C@@H]5[C@H]4[C@@H]12 253611113 MKFVYQPUKYMICH-FWSBLQBYSA-N 412.482 1.753 0 50 HDAA CN1CCN(C(=O)c2cnn3c2C[C@H](CNCc2cccc4c2OCO4)CC3)CC1 328606796 TVPVFMMXOUNNCA-MRXNPFEDSA-N 411.506 1.352 0 50 HDAA Cc1cccc(CC(=O)N2CCC[C@@H](n3ncc(N4CCN(C)CC4)cc3=O)C2)c1 328607479 WBQQHYCQVYLNRJ-HXUWFJFHSA-N 409.534 1.710 0 50 HDAA COc1cccc2c1nc(NC(=O)CN1C(=O)N[C@](C)(c3ccccc3)C1=O)n2C 770184889 YNLNJNYJYIPCPW-OAQYLSRUSA-N 407.430 1.988 0 50 HDAA Cc1[nH]c(C(=O)N2C[C@H]3CN(Cc4ccns4)C[C@@]3(CO)C2)c(C)c1C(=O)O 1772819713 QPJXOSKDQMTUNX-YJYMSZOUSA-N 404.492 1.353 0 50 HDAA O=C1CO[C@H](COc2ccc(F)cc2)CN1C1CCN(S(=O)(=O)C2CC2)CC1 1857679091 FQDPNLRAWZNSLJ-KRWDZBQOSA-N 412.483 1.389 0 50 HDAA CCN1CC[C@@H]2C[C@@H](N3CCOCC3)CC[C@@]2(C(=O)NCc2cnn(CC)c2)C1 1857687582 ZNXMITZVONKEEV-RZUBCFFCSA-N 403.571 1.732 0 50 HDAA COC(=O)[C@H]1C[C@H]2CN(C(=O)c3cn4ccccc4n3)CC(=O)N2[C@H]1c1ccccc1 1857717517 WXMYFRKUCQXGGO-FIKGOQFSSA-N 418.453 1.922 0 50 HDAA CN(C)C(=O)Cn1cnc(=NC(=O)NCc2cccc(COC3CCCCC3)c2)[nH]1 1875262060 RPJABORXLWCXKA-UHFFFAOYSA-N 414.510 1.959 0 50 HDAA O=C(O)c1cccnc1N1CCC2(CCc3c(O)nc(N4CCOCC4)nc32)CC1 2100480406 JHPSUVLLXKYZBU-UHFFFAOYSA-N 411.462 1.596 0 50 HDAA COCCC(=O)N1C[C@@H](NC(=O)c2ccc3cccnc3c2)[C@H](c2cnn(C)c2)C1 2325787027 WZNUBUWBHUVMRF-AZUAARDMSA-N 407.474 1.729 0 50 HDAA Cn1cnnc1C[C@H](NC(=O)[C@@H]1C[C@@]1(C)c1cccc(Br)c1)C(=O)O 2325853784 BKDJIILAHABMMQ-DCGLDWPTSA-N 407.268 1.667 0 50 HDAA O=C1CC[C@@H](N2Cc3c(C(=O)N4CC(Oc5ccccc5)C4)cccc3C2=O)C(=O)N1 2325886844 LJYXDHISPTVKEX-LJQANCHMSA-N 419.437 1.351 0 50 HDAA Cc1cc2n[nH]cc2cc1NC(=O)c1ccc2c(c1)CN([C@@H]1CCC(=O)NC1=O)C2=O 2325896044 PLGSCBGXTQCNET-GOSISDBHSA-N 417.425 1.885 0 50 HDAA O=C(C[C@]1(O)C(=O)Nc2ccccc21)c1ccc(OCC(=O)N2CCOCC2)cc1 1150580 SZPSVLDVUMFSSA-JOCHJYFZSA-N 410.426 1.337 0 50 HDAA CCOc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)N2CCOCC2)CC1 4502502 ITHHSKXLSPIKKV-UHFFFAOYSA-N 416.927 1.998 0 50 HDAA CC(=O)OCCCNC(=O)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccco1 5092767 GFOXFQLIGWQBMS-XNTDXEJSSA-N 400.387 1.849 0 50 HDAA CCc1n[nH]c(C(=O)N2CC[C@@H](N3CCN(c4ccccc4F)CC3)[C@H](O)C2)c1C 20515203 MHEHZJSRIFBNJY-WOJBJXKFSA-N 415.513 1.817 0 50 HDAA CC(C)NC(=O)c1cn(CCN2CCN(C(=O)CCC3CCCCC3)CC2)nn1 20996739 JRKYUPSQNMJZMP-UHFFFAOYSA-N 404.559 1.921 0 50 HDAA COCCN(C)C[C@@H]1CCCN1S(=O)(=O)c1ccc(CCNC(=O)OC)s1 170606273 WZRFJCCUCDCRHF-AWEZNQCLSA-N 419.569 1.378 0 50 HDAA O=C(O)[C@@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 239433765 YKQCFOGWAIAVLT-WRFANHODSA-N 408.451 1.182 0 50 HDAA COC[C@H](C)NC(=O)CN1CCCC[C@H]1CNC(=O)CCNC(=O)OC(C)(C)C 253369354 BKMDEKIWKFBFPQ-HOTGVXAUSA-N 414.547 1.023 0 50 HDAA CC(C)N1CCN(C2CCN(C(=O)C[C@@H]3Oc4ccccc4NC3=O)CC2)CC1 677712137 OOPCHTCPPBJRGE-FQEVSTJZSA-N 400.523 1.793 0 50 HDAA OC[C@@]12CN(Cc3cnc(N4CCCCC4)nc3)C[C@@H]1CN(Cc1ccns1)C2 1772701059 HDFABYDJJBMORF-NQIIRXRSSA-N 414.579 1.850 0 50 HDAA CCN1CC[C@@H]2C[C@@H](N3CCOCC3)CC[C@@]2(C(=O)NCCc2cccnc2)C1 1857699491 QULISZGYXVNELL-FUPPJEDESA-N 400.567 1.953 0 50 HDAA N=c1nc(O)c2c([nH]1)C1(CC2)CCN(C(=O)c2cccc(N3CCCC3=O)c2)CC1 1857724833 OZISUTYWMDYTEA-UHFFFAOYSA-N 407.474 1.842 0 50 HDAA COC1(C(=O)N2CCN3C(=O)OC[C@@H]3C2)CCN(Cc2cccc(C)c2F)CC1 1857737984 MFQUPLUPVVWQGQ-KRWDZBQOSA-N 405.470 1.778 0 50 HDAA CC(C)N1C(=O)CO[C@H](C(=O)N2CCC3(CC2)CNC(=O)O3)[C@H]1c1ccccc1 2356139229 FJYRXRCQGNBOIL-MSOLQXFVSA-N 401.463 1.465 0 50 HDAA Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3CCN(C)CC3)cc2)cc1 20103614 HWIVJAYQERVSOE-UHFFFAOYSA-N 403.504 1.949 0 50 HDAA O=C(CCCn1nnnc1CN1CCOCC1)N[C@H](c1ccco1)C(F)(F)F 23340090 OMPZZRGULCWGFE-OAHLLOKOSA-N 402.377 1.298 0 50 HDAA Nc1cc(C(F)(F)F)c(-c2nc(N3CCOCC3)nc(N3CCOCC3)n2)cn1 68203488 ADGGYDAFIHSYFI-UHFFFAOYSA-N 411.388 1.208 0 50 HDAA in-vitro COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCCN3CCCC3)C2)cc1 72441480 NGDVNKKUTYVZCG-KRWDZBQOSA-N 409.552 1.698 0 50 HDAA CS(=O)(=O)c1ccc(N[C@@H]2CCCN(CC(F)(F)F)C2)c(S(C)(=O)=O)c1 253428308 JBKUBLMMARTWLW-LLVKDONJSA-N 414.471 1.932 0 50 HDAA Cc1cc(C(=O)NC[C@H]2CN(CC3CCN(CC4CC4)CC3)C(=O)CO2)nc(C)n1 299768606 KBSFGDJXQMLJPY-IBGZPJMESA-N 415.538 1.173 0 50 HDAA COc1ccc2c(c1NC(=O)N[C@H](Cc1ccccc1)C(=O)NCCC(N)=O)CCC2 484822977 RXUDUGMGFAOXGG-GOSISDBHSA-N 424.501 1.908 0 50 HDAA Cc1c([C@H]2[C@H](NC(=O)NCc3ccnc(-n4ccnc4)c3)CC(=O)N2C)cnn1C 758559234 RMLRRTNMGDEGRQ-APWZRJJASA-N 408.466 1.080 0 50 HDAA Cc1cccc(-c2ncc(CN3CCN(S(=O)(=O)N4CCCC4)CC3)cn2)c1 825224796 QVVYICLYRSRHMA-UHFFFAOYSA-N 401.536 1.910 0 50 HDAA COc1ccc(C(=O)N[C@H]2CC[C@H](C(=O)NCc3cnn(C)c3)C[C@@H]2O)cc1OC 1857693151 KDRFTUVJPRNQRW-XIRDDKMYSA-N 416.478 1.013 0 50 HDAA CCC(=O)NCc1cn([C@H](C)CNC(=O)C[C@@H]2C(=O)Nc3cc(OC)ccc32)nn1 2325850528 APCRVOLWMDYVSG-WBMJQRKESA-N 414.466 1.116 0 50 HDAA N[C@@H](C(=O)N1CCC(C(=O)Nc2ccc(Br)cc2)CC1)C1(O)CCC1 2325850667 FCWQFCLRSZCFMS-HNNXBMFYSA-N 410.312 1.869 0 50 HDAA Cc1cc(C)nc(SCC(=O)OCC(=O)Nc2ccc(S(N)(=O)=O)cc2)n1 2860198 VRLADYYOMCEMLL-UHFFFAOYSA-N 410.477 1.015 0 50 HDAA CCOc1ccc(N2C(=O)C[C@@H](NCc3ccc(S(N)(=O)=O)cc3)C2=O)cc1 4897704 HKMSUFHQHIJFEW-QGZVFWFLSA-N 403.460 1.154 0 50 HDAA CCCN1CCN(Cc2ccc(OC)c(OC[C@H](O)CN3CCN(C)CC3)c2)CC1 20166034 OMIHGCQWDIVEQL-OAQYLSRUSA-N 420.598 1.210 0 50 HDAA CN(CCCN1CC2(CCN(C(=O)CNC(N)=O)CC2)OC1=O)C1CCCCC1 72421791 ZUOBNQXYXHARBQ-UHFFFAOYSA-N 409.531 1.123 0 50 HDAA COC(=O)[C@@H](NCCS(=O)(=O)c1cccc(OC)c1)c1ccc(OC)c(O)c1 170598097 GCBGEZSLKAFAMB-SFHVURJKSA-N 409.460 1.687 0 50 HDAA O=S(=O)(c1cc[nH]n1)N1CCN(Cc2cc(F)ccc2Br)CC1 225669864 XVYFSTHAJQLCKS-UHFFFAOYSA-N 403.277 1.818 0 50 HDAA Cc1ncnc(N2CCN(C(=O)C3CCN(C(=O)[C@H]4CCCO4)CC3)CC2)c1C 252488427 IRQXTLURMPPEHF-GOSISDBHSA-N 401.511 1.160 0 50 HDAA O=C(CC1(n2cccc2)CCOCC1)N1CCCN(S(=O)(=O)N2CCCC2)CC1 263588895 ZOOQJUQSLAWPJY-UHFFFAOYSA-N 424.567 1.259 0 50 HDAA Cc1cc(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)c2n[nH]cc2c1 495257671 VBVJDUQDAJUQMU-KRWDZBQOSA-N 421.505 1.897 0 50 HDAA CNC(=O)C[C@@H]1CCN(S(=O)(=O)c2ccc(-c3cc(C(F)(F)F)n[nH]3)o2)C1 1506427185 KPQBVENYLZOWOQ-VIFPVBQESA-N 406.386 1.835 0 50 HDAA Cc1nc(O)c2c(n1)[C@]1(CCCN(c3ncc(F)c(N4CCOCC4)n3)C1)CC2 1857696698 LZWZZAHRKPBZNB-HXUWFJFHSA-N 400.458 1.741 0 50 HDAA Cn1c(CN2C[C@@H]3[C@H](CNC(=O)c4cnc[nH]4)[C@H]4CC[C@]3(C2)O4)nc2ccccc21 1857708930 UYFGOYBHFYVIMO-FGXHJERBSA-N 406.490 1.706 0 50 HDAA COc1ccc([C@@H](CC(=O)NCCN(C)C)c2c(O)nc3ccccn3c2=O)cc1 2049512046 SQHKQEQOGODRRQ-QGZVFWFLSA-N 410.474 1.609 0 50 HDAA CC(C)[C@H](NC(=O)C(=O)N[C@@H](c1nnc2n1CCC2)C(C)C)c1nnc2n1CCC2 2325723081 RZZAYOLMZSBYES-IYBDPMFKSA-N 414.514 1.089 0 50 HDAA COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)N1CCOCC1 3612659 NKSREANWJFBQPF-UHFFFAOYSA-N 402.472 1.919 0 50 HDAA CC(C)CCN1CCNC(=O)[C@H]1CC(=O)N1CCC(OCc2ccccn2)CC1 12448631 FNNSYHIXJQMDMA-HXUWFJFHSA-N 402.539 1.826 0 50 HDAA CSCCC(=O)N1CCc2nnc([C@H](CC(C)C)NC(=O)CN(C)C)n2CC1 14969951 AZXAXBDQCOKRDO-HNNXBMFYSA-N 410.588 1.181 0 50 HDAA Cn1c(CNC(=O)[C@@H]2CCC(=O)N(CCCN3CCOCC3)C2)nc2ccccc21 19800301 XOLTVSJTQLSZQZ-QGZVFWFLSA-N 413.522 1.150 0 50 HDAA Cn1nc(C(=O)N2CCCCCC2)c2c1CC[C@H](NCC(C)(C)N1CCOCC1)C2 23353440 KQQWFCHIGZEYFZ-SFHVURJKSA-N 417.598 1.994 0 50 HDAA CC(C)(C)OC(=O)[C@@H]1CCCN2CCC[C@@H](N3C(=O)c4ccccc4C3=O)C(=O)N12 80451445 FARFFIGGGRCEFT-SJORKVTESA-N 413.474 1.995 0 50 HDAA CC(=O)c1cc(CN2CC[C@@]3(O)CCN(S(=O)(=O)N(C)C)C[C@H]3C2)cs1 95379167 CAEAKDGTHZRXSF-NVXWUHKLSA-N 401.554 1.016 0 50 HDAA CC(=O)N1C[C@H](CCC(=O)NCCS(=O)(=O)NCC2CCC2)c2ccccc21 170597112 YFJOUNISJLJSRM-KRWDZBQOSA-N 407.536 1.753 0 50 HDAA COC(=O)[C@H]1CN(C(=O)Cn2c(=O)[nH]c3ccccc3c2=O)C[C@@H]1c1ccsc1 170601214 RFRGQJYVNNQJMZ-CABCVRRESA-N 413.455 1.167 0 50 HDAA O=c1n(-c2ccccc2)c(=O)n2n1[C@H]1[C@@H]3[C@@H]4[C@H]3[C@H]3[C@]15CN(Cc1ccccc1)C[C@@]35[C@H]42 253616568 CMWPJGHOYGAVMB-FCOPUVFSSA-N 410.477 1.904 0 50 HDAA CCN(CC)S(=O)(=O)c1ccc(N2C[C@H](C(=O)Nc3nocc3C)CC2=O)cc1 328595252 PBGWQDDAZHWRIU-CQSZACIVSA-N 420.491 2.005 0 50 HDAA CN1CCC(N2CCC[C@H](C(=O)N3CCN(c4ccc5nccn5n4)CC3)C2)CC1 426683692 BMVSMCFCZABURW-SFHVURJKSA-N 411.554 1.184 0 50 HDAA Cc1ccc(Nc2cccc(C(=O)O[C@@H](C)C(=O)N3CCC[C@@H](C(N)=O)C3)c2)nn1 736876494 JWLHIINQJOYNDZ-GOEBONIOSA-N 411.462 1.798 0 50 HDAA Cc1ncn(C)c1-c1nc(-c2ccc(C(N)=O)cc2)nn1[C@@H]1CCS(=O)(=O)C1 1857737377 JUSIPIFEBKDLQN-CQSZACIVSA-N 400.464 1.113 0 50 HDAA O=C(NCCN1CCNC1=O)Nc1ccc(NC(=O)c2ccc3c(c2)OCO3)cc1 1875319585 JCDNVUCIHNFYER-UHFFFAOYSA-N 411.418 1.814 0 50 HDAA COc1cc(S(=O)(=O)NC(=O)N2CCN(c3nccn3C)CC2)ccc1Cl 2325841515 XVTGWANPTXYELD-UHFFFAOYSA-N 413.887 1.303 0 50 HDAA OCCOCCN1CCN([C@@]2(O)Nc3ccccc3Sc3ccccc32)CC1 43193700 URUVJKBCKGWOPF-NRFANRHFSA-N 401.532 1.992 0 50 HDAA in-vitro CCCn1c(CN2CCN(c3cccc(Cl)c3)CC2)nc2c1c(=O)[nH]c(=O)n2C 55565749 HGOSTGWUALSTIK-UHFFFAOYSA-N 416.913 1.809 0 50 HDAA CNC(=O)[C@@H]1C[C@H](n2cc(CN(C)C(=O)C34CC5CC(CC(C5)C3)C4)nn2)CN1 67741628 UTGJSVQFKKMQES-QUUFEMHMSA-N 400.527 1.102 0 50 HDAA CCc1n[nH]c(C(=O)N2CCC3(CC2)c2nc[nH]c2CCN3C(=O)COC)c1C 95527293 QTZZCWFNOFVCIF-UHFFFAOYSA-N 400.483 1.166 0 50 HDAA CCOC(=O)c1cc(NC(=O)[C@@H]2[C@H](C(=O)O)[C@H]3CC[C@H]2O3)cc(C(=O)OCC)c1 137818446 KFAGGKYAWMFPEC-LVQVYYBASA-N 405.403 1.857 0 50 HDAA O=C(Cn1cccn1)N1CCC2(CC1)CN(CCOc1ccc(F)cc1)CCO2 952976274 VFWAXBDTNZDTPK-UHFFFAOYSA-N 402.470 1.795 0 50 HDAA CN(CC1CCN(Cc2ccccc2)CC1)S(=O)(=O)[C@H]1CCS(=O)(=O)C1 952977583 VJUDUGUCQLTJEZ-SFHVURJKSA-N 400.566 1.347 0 50 HDAA CS(=O)(=O)Cc1ccc(F)cc1CNC(=O)c1ccc(S(C)(=O)=O)s1 1435386016 XIMITJKAMTZZNY-UHFFFAOYSA-N 405.494 1.765 0 50 HDAA Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1NC(=O)c1ccc2c(=O)n(C)cnc2c1 1529158379 BDOXJGRKCGKRNI-CQSZACIVSA-N 415.475 1.359 0 50 HDAA CNc1ncccc1C(=O)N1C[C@@H]2CN(CCn3cc(Cl)cn3)C[C@]2(CO)C1 1772711056 VQIHXXLVMYGCRE-IFXJQAMLSA-N 404.902 1.040 0 50 HDAA C[C@H](C(=O)N=c1nc2nccc(-c3ccccn3)n2[nH]1)c1nnc(O)c2ccccc12 1875251435 JZKUQJDDHKTNHN-LBPRGKRZSA-N 412.413 1.999 0 50 HDAA O=C(N=c1ccn(-c2ncccc2F)[nH]1)NCCS(=O)(=O)Nc1ccccc1 2325708177 ZWDXTLFSFHDNSK-UHFFFAOYSA-N 404.427 1.392 0 50 HDAA COc1ccc(CCN2C(=O)C[C@H](NCc3ccc4c(c3)OCO4)C2=O)cc1OC 842704 RABXTWXYUCXXKL-INIZCTEOSA-N 412.442 1.892 0 50 HDAA biogenic CCOC(=O)C[C@H]1C(=O)NCCN1C(=O)COc1ccc(Br)cc1C 1069663 HRXUBYMASKBDIT-ZDUSSCGKSA-N 413.268 1.417 0 50 HDAA CCn1cc(S(=O)(=O)N2CCC[C@H](C(=O)NCc3cnn(CC)c3C)C2)c(C)n1 2802461 BCDKBDRRDLUJRG-INIZCTEOSA-N 422.555 1.453 0 50 HDAA CCOC(=O)[C@@H]1[C@H](c2cccc(OC)c2OC)NC(=S)N[C@]1(O)C(F)(F)F 4269881 SDILKHRCSNPCIQ-ZIBATOQPSA-N 408.398 1.653 0 50 HDAA COc1cc(CNCCc2cccnc2)ccc1OC[C@H](O)CN1CCC(O)CC1 11821716 CIBUWPFWXKUUND-OAQYLSRUSA-N 415.534 1.619 0 50 HDAA CN(CCc1cnn(C)c1)C(=O)c1cc(COc2ccc(-n3cncn3)cc2)on1 12433195 DKDDZVPPXOXDIP-UHFFFAOYSA-N 407.434 1.883 0 50 HDAA COc1ccc(CNCCCn2cccn2)cc1OC[C@@H](O)CN1CCN(C)CC1 19635684 ULLRWFSDIHZTIL-FQEVSTJZSA-N 417.554 1.059 0 50 HDAA CCN1C(=O)C[C@H](N2CCN(c3cc(-c4ccc(OC)cc4)nc(C)n3)CC2)C1=O 20353757 PEKVWGKMPKYCQH-IBGZPJMESA-N 409.490 1.730 0 50 HDAA COc1ccc2[nH]c(C(=O)N3C[C@H](CO)[C@H](CN4C[C@H](C)O[C@H](C)C4)C3)cc2c1 95388862 GTJJHGPBERYIGW-CYGHRXIMSA-N 401.507 1.966 0 50 HDAA COC(=O)c1cc(S(=O)(=O)N2CCOC[C@H]2c2nc(C)no2)cc(F)c1F 170594033 AIVDQZGSAUVWDH-LBPRGKRZSA-N 403.363 1.205 0 50 HDAA Cn1ccc(CC(=O)N2CC[C@@H](N(Cc3ccccc3)C(=O)Cc3ccn(C)n3)C2)n1 170611334 DIIITKRDEASHSS-OAQYLSRUSA-N 420.517 1.569 0 50 HDAA C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN1CCC[C@@H](C(=O)Nc2cnccn2)C1 229821943 CJVKEPXUFHSYSN-HZPDHXFCSA-N 422.489 1.891 0 50 HDAA COc1ccc(N2C(=O)NC(=O)[C@@]3(Cc4ccccc4N4CCOC[C@H]43)C2=O)cc1 248156749 ZLYAYEXGIWYEGH-AVRDEDQJSA-N 407.426 1.726 0 50 HDAA CO[C@@H](C(=O)N1CCC[C@@H](n2ncc(N3CCOCC3)cc2=O)C1)c1ccccc1 328605581 OBEIXBOZVWWUGG-WIYYLYMNSA-N 412.490 1.631 0 50 HDAA O=C(Cc1cccnc1)N1CCC2(CCc3c(O)nc(N4CCOCC4)nc32)CC1 1857722375 UIOCYGAZVVCXQI-UHFFFAOYSA-N 409.490 1.463 0 50 HDAA O=C(CCc1cn[nH]c1)N1CCC2(CCc3c(O)nc(N4CCOCC4)nc32)CC1 1857727159 MIVUSSXZSJDGTC-UHFFFAOYSA-N 412.494 1.181 0 50 HDAA CCCc1cc(C(=O)N2CC(=O)N3[C@@H](C[C@H](C(=O)OC)[C@@H]3c3ccccc3)C2)n[nH]1 1857727582 VEZVHIFFIZFUGK-ZWOKBUDYSA-N 410.474 1.949 0 50 HDAA Cc1noc(C)c1C(=O)N1[C@H]2CC[C@@H]1C[C@]1(C2)CN(C(=O)[C@H]2CCCO2)CCO1 1857731310 PJKZJNVJOFNOQM-WOYCLPQFSA-N 403.479 1.835 0 50 HDAA Cn1cc(S(=O)(=O)N2C[C@H](C(C)(C)C)O[C@H](c3ccccc3)C2)c(=O)n(C)c1=O 1875250015 RLDRENSGRCBGPN-DOTOQJQBSA-N 421.519 1.261 0 50 HDAA CN([C@@H]1CCCN(C(=O)c2cc3c(nc2O)CC(C)(C)CC3=O)C1)S(C)(=O)=O 1875260561 SDMJKNVRYUXYKO-GFCCVEGCSA-N 409.508 1.438 0 50 HDAA Cn1cnnc1C1CCN(C(=O)[C@H]2OCC(=O)N(C3CC3)[C@@H]2c2cccnc2)CC1 1940197185 XVMYQVRPAJJFNU-MOPGFXCFSA-N 410.478 1.047 0 50 HDAA O=C(NCc1cccc(N2CCCCC2=O)c1)C(=O)N1CCC[C@@H](c2cc[nH]n2)C1 2325711821 JQDKMAYURQIRGD-QGZVFWFLSA-N 409.490 1.949 0 50 HDAA COc1ccc(CCNC(=O)Cn2cc(I)cn2)cc1OC 4753606 IKVFFOYBBVZOPL-UHFFFAOYSA-N 415.231 1.864 0 50 HDAA Cc1nccn1CCCNC(=O)C[C@@H]1C(=O)NCCN1Cc1ccc(F)cc1Cl 11819184 BXKVECJFERTKLK-GOSISDBHSA-N 421.904 1.881 0 50 HDAA CCOC(=O)N1CCN(C(=O)C[C@]2(c3ccccc3OC)CC(=O)N(C)C2=O)CC1 14951614 GPKXEKFEJYXCOH-NRFANRHFSA-N 417.462 1.013 0 50 HDAA CCN(CC)C[C@@H](O)COc1cc(CNCCN2CCC(O)CC2)ccc1OC 20452699 NHJQOZOXBQJRPL-HXUWFJFHSA-N 409.571 1.323 0 50 HDAA O=C(CCCC(=O)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1)N1CCOCC1 20728565 SFZHHMPBMBNXEQ-UHFFFAOYSA-N 412.490 1.481 0 50 HDAA O=S(=O)(c1ccc(F)cc1F)N1CCN(c2cc(-n3cccn3)ncn2)CC1 65363367 FLUBFAOOJWQBPU-UHFFFAOYSA-N 406.418 1.451 0 50 HDAA CN(C)C(=O)c1ccc(-c2cc(C(=O)O)cc(S(=O)(=O)N3CCOCC3)c2)cc1 71575352 IBDROIYOISMPBP-UHFFFAOYSA-N 418.471 1.775 0 50 HDAA Cc1noc(C)c1S(=O)(=O)N1CCN(c2cc(N3CCCCC3)ncn2)CC1 72119129 HBAQIPLVJXANGV-UHFFFAOYSA-N 406.512 1.583 0 50 HDAA Cc1nc(CN(C)C(=O)[C@@H]2[C@@H]3C=C[C@@]4(CN(Cc5ccc(C)c(C)c5)C(=O)[C@@H]24)O3)no1 77394182 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415.538 1.310 0 50 HDAA COc1ccnc(-c2cn(-c3ccc4c(c3)C(=O)N([C@H]3CCC(=O)NC3=O)C4)nn2)c1 1875355247 DZFCSJMWVMUNRI-SFHVURJKSA-N 418.413 1.099 0 50 HDAA Cc1cccc(-c2noc(CCC(=O)N3CCC4(CC3)OCC[C@H](O)[C@@H]4O)n2)c1 2356162160 AFZNUTKABSBCRH-LPHOPBHVSA-N 401.463 1.481 0 50 HDAA COc1ccc(N2C(=O)[C@H](CC(N)=O)N(NC(=O)CCc3ccccc3)C2=O)cc1 1070158 JJUGLNVVMVGEHR-KRWDZBQOSA-N 410.430 1.372 0 50 HDAA CCOC(=O)C(CCCN1C(=O)c2ccccc2C1=O)(NC(C)=O)C(=O)OCC 2173031 GJDFIDBSNRVSFL-UHFFFAOYSA-N 404.419 1.064 0 50 HDAA CN(CC1CCN(CCc2ccc(F)cc2)CC1)C(=O)c1cc(=O)n(C)c(=O)n1C 11698671 SEHPXAVMBWGUIL-UHFFFAOYSA-N 416.497 1.250 0 50 HDAA CC(C)Cn1c(CN2CCC([C@@H](C)N3CCOCC3)CC2)cnc1S(C)(=O)=O 11936300 NUOJOXZJUOBTOX-QGZVFWFLSA-N 412.600 1.875 0 50 HDAA O=C1CCCN1CCCN1C[C@H](C(=O)N2CCN(c3ccccc3)CC2)CCC1=O 12318912 NVMXTBMDPKZVGH-LJQANCHMSA-N 412.534 1.586 0 50 HDAA O=C(c1cn(CCNCc2cc3c(cc2Cl)OCO3)nn1)N1CCSCC1 15003890 BNRWJXUUYJDIQU-UHFFFAOYSA-N 409.899 1.639 0 50 HDAA CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)NCc1ccc(CN2CCOCC2)cc1 170611003 MBOCZYOCFFAPHX-OALUTQOASA-N 419.522 1.505 0 50 HDAA CC[C@H](C)N1C(=O)[C@H]2[C@H](C1=O)[C@@]1(N[C@H]2[C@H](C)O)C(=O)Nc2c(Cl)cc(C)cc21 245255896 MHUDSBSAPUUZHC-AYQNFGGDSA-N 405.882 1.548 0 50 HDAA C[C@@H](C(=O)N1CCS(=O)(=O)C2(CCCCC2)C1)n1nnc(-c2ccccc2)n1 440922021 WZDUHJXKKFPWCO-HNNXBMFYSA-N 403.508 1.861 0 50 HDAA CS(=O)(=O)N1C[C@H]2CN(Cc3cnc(N)nc3)C[C@]2(CCc2ccccc2)C1 1772805499 MEXYBMZOGIWZAO-UYAOXDASSA-N 401.536 1.385 0 50 HDAA CN(C)S(=O)(=O)C[C@@H]1CN(Cc2ccc(OCc3ccccn3)cc2)C[C@@H]1O 1857719837 WSICSARLXZWNDJ-PXNSSMCTSA-N 405.520 1.345 0 50 HDAA CC[C@H](C(=O)N=[S@@]1(=O)CCCN(C(=O)[C@H]2CC2(F)F)CC1)N1CCCC1=O 2332239073 VKGQULLRXCQXTM-NTFYDNOESA-N 405.467 1.270 0 50 HDAA CCOC(=O)N1CCN(C(=O)CN(C)S(=O)(=O)c2c(C)cc(C)cc2C)CC1 802504 OCVHVONJMBGOOP-UHFFFAOYSA-N 411.524 1.533 0 50 HDAA COc1ccccc1N(CC(=O)N1CCN(c2ccccc2)CC1)S(C)(=O)=O 916255 MARKIAGFUAAWME-UHFFFAOYSA-N 403.504 1.810 0 50 HDAA Cc1ccccc1[C@]1(CC(=O)N2CCC[C@H]2C(N)=O)CC(=O)N(C2CCCC2)C1=O 11839546 CKYHYQNLUDHUHN-MBSDFSHPSA-N 411.502 1.801 0 50 HDAA COc1ccc(N2CCCCS2(=O)=O)cc1S(=O)(=O)NC[C@@H]1CCCO1 12004556 WTOAHFKPSTUNQQ-AWEZNQCLSA-N 404.510 1.083 0 50 HDAA Cc1ccccc1N1CCN([C@H]2CCCN(C(=O)CCN3CCOCC3)C2)CC1 12305534 QKJHUDCEHICQFE-NRFANRHFSA-N 400.567 1.830 0 50 HDAA COC(=O)C1CCN(C[C@H](O)COc2ccc(CNCC(F)(F)F)cc2)CC1 12745222 UYCDICLEMQGFKC-INIZCTEOSA-N 404.429 1.963 0 50 HDAA O=C(c1cc[n+]([O-])cc1)N1CCC[C@H](N2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 20363692 DRDUCRNYONGJLN-FQEVSTJZSA-N 424.501 1.471 0 50 HDAA C[C@H](Cn1cncn1)NC(=O)c1coc(CN2CCN(Cc3ccccc3)CC2)n1 23359390 NHTXIFOCEUJIOQ-QGZVFWFLSA-N 409.494 1.402 0 50 HDAA CC(C)CCn1c(N2CCN(Cc3ccccc3)CC2)nc2c1c(=O)[nH]c(=O)n2C 56900457 RWMLICWRQFFVOQ-UHFFFAOYSA-N 410.522 1.792 0 50 HDAA COC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2cc(O)cc(=O)o2)CC1 239367384 AIKYBEVXMDUXDE-QGZVFWFLSA-N 406.822 1.671 0 50 HDAA COc1ccc([C@H](NC(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)c2nccn2C)cc1 248130501 NAJMWRJNQMYJTK-LMMKCTJWSA-N 410.474 1.810 0 50 HDAA O=C1CO[C@@H](COc2ccc(F)cc2)CN1C1CCN(CCc2cn[nH]c2)CC1 299779775 SRPKURONECTVIO-HXUWFJFHSA-N 402.470 1.862 0 50 HDAA CNS(=O)(=O)NC1CCN(C(=O)c2cc(C3CC3)nc3ccc(F)cc23)CC1 328592209 NSSCSFNRQREANT-UHFFFAOYSA-N 406.483 1.910 0 50 HDAA Cc1cccc(C[C@H](CO)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)OCc2ccccc2)c1 787397300 JDHLKIXQRSJHPC-NJYVYQBISA-N 412.486 1.787 0 50 HDAA CN(C)Cc1nc(C(=O)Nc2ccc(OCC(=O)N3CCOCC3)cc2)cs1 823719853 QLMHPQNLCYHXFD-UHFFFAOYSA-N 404.492 1.695 0 50 HDAA COC[C@H]1CCCN(S(=O)(=O)N2CCN(C(=O)c3ccccc3OC)CC2)C1 1506420958 FCGHUTWNYQJRKE-INIZCTEOSA-N 411.524 1.056 0 50 HDAA O=C(NCc1noc(C2CCC2)n1)[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CCNC2 1857699037 FRSUXBGLJHWTAB-CBGDNZLLSA-N 403.527 1.434 0 50 HDAA CC(C)=CCN1CC(=O)N2[C@@H](C[C@H](C(=O)NCCc3cnc[nH]3)[C@@H]2CC(C)C)C1 1857730112 YTDYCVDHJJXHIJ-UFYCRDLUSA-N 401.555 1.982 0 50 HDAA CCc1c(Cl)nc(CS(C)(=O)=O)nc1N1CCC(c2n[nH]c(CN)n2)CC1 1875315543 ZDZDOXXTUCGJEJ-UHFFFAOYSA-N 413.935 1.198 0 50 HDAA COc1cccc2c1C1(CCN(C(=O)NC[C@H]3CCS(=O)(=O)C3)CC1)OCC2 2356156100 RISGWBPMMMYTPP-OAHLLOKOSA-N 408.520 1.703 0 50 HDAA C[C@H](NS(=O)(=O)c1ccc(OCC(=O)N2CCOCC2)cc1)c1ccccc1 802402 ADEBDTRLVOHBLD-INIZCTEOSA-N 404.488 1.964 0 50 HDAA CC[C@H](C(=O)c1ccccc1)n1c(N2CCOCC2)nc2c1c(=O)n(C)c(=O)n2C 1050174 DEDUFOYBJVGZKJ-OAHLLOKOSA-N 411.462 1.104 0 50 HDAA CCn1ncc(NS(=O)(=O)c2cn(C)nc2C)c1C(=O)Nc1cnn(C)c1C 2804675 IGIBUBGQWCMOPM-UHFFFAOYSA-N 406.472 1.040 0 50 HDAA CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)[C@H](OCCO)c2cc3ccccc3nc2-1 3960051 XAKLYHGHEFMDAP-IRLDBZIGSA-N 408.410 1.587 0 50 HDAA CC(C)[C@@H](NS(=O)(=O)c1ccccc1)C(=O)N1CCN(C(=O)c2ccco2)CC1 6703395 FOWVRXBLJSXTLY-GOSISDBHSA-N 419.503 1.567 0 50 HDAA COc1ccccc1CN1CCN(C(=O)C[C@@H]2C(=O)NCCN2C2CCCC2)CC1 11717520 OGVJHOQNPVFUCE-HXUWFJFHSA-N 414.550 1.473 0 50 HDAA COC(=O)CN(C)C(=O)c1cc(OC)ccc1OC1CCN(C(=O)C2CC2)CC1 12092650 PFJMCSXNIDPAIJ-UHFFFAOYSA-N 404.463 1.720 0 50 HDAA CN(CC(=O)N1CCC[C@@H](CNS(=O)(=O)c2cccs2)C1)Cc1ccncc1 12304169 BPZINPMYUNEKKR-KRWDZBQOSA-N 422.576 1.792 0 50 HDAA COC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)OC)[C@@H]1c1cc(OC)c(OC)c(OC)c1 12384285 BQAMOHYYSCVYEY-NLDJYOPPSA-N 410.419 1.098 0 50 HDAA COc1ccccc1CN1CCNC(=O)[C@@H]1CC(=O)NCc1ccc(F)cc1F 12705189 GKZLUPZNORIMLK-SFHVURJKSA-N 403.429 1.980 0 50 HDAA CC(C)CN1C[C@H](OCc2ccccn2)CN(C(=O)C2CCN(C)CC2)CC1=O 14745583 BTHCKUHCIKIFGZ-FQEVSTJZSA-N 402.539 1.635 0 50 HDAA CCC(=O)[C@H]1CCCN(C(=O)C[C@@]2(c3ccc(OC)cc3)CC(=O)N(C)C2=O)C1 14880911 UREHKBPCMXZARE-OYHNWAKOSA-N 400.475 1.930 0 50 HDAA Cn1nc(C(=O)N2CCSCC2)c2c1CC[C@H](N(CCO)Cc1ccccc1)C2 20534343 MEICPYANCPTQDU-SFHVURJKSA-N 414.575 1.961 0 50 HDAA Cc1nnc(CCNC(=O)C[C@H]2C(=O)NCCN2Cc2ccccc2C(F)(F)F)[nH]1 20820053 XMWDLZKRABUCQD-HNNXBMFYSA-N 424.427 1.181 0 50 HDAA COc1ccc(S(=O)(=O)N2CCN(C(=O)c3cn(C)nc3C3CC3)CC2)cc1 328592579 HFVFURISBZCLHJ-UHFFFAOYSA-N 404.492 1.453 0 50 HDAA Cc1ccccc1-n1nccc1[C@H]1OCC[C@@H]1C(=O)N1CCc2nn(C)c(=O)cc2C1 328602125 AIBDUYAGCSYWRU-JTSKRJEESA-N 419.485 1.937 0 50 HDAA COc1cc2c(cc1S(=O)(=O)Nc1ccc3c(c1)CN(C)C(=O)N3)OCC(=O)N2 485398608 LTLGSKTVNOCAAS-UHFFFAOYSA-N 418.431 1.804 0 50 HDAA C[C@@]1(NC(=O)NCc2cc(C(N)=O)co2)CCN(C(=O)OCc2ccccc2)C1 793166626 AOUHFPCPVNNLJX-HXUWFJFHSA-N 400.435 1.979 0 50 HDAA COCCc1noc([C@H]2CCCN(C(=O)CN3CCOc4ccccc4C3)C2)n1 952981084 UBZBHTKYHAFCHE-KRWDZBQOSA-N 400.479 1.859 0 50 HDAA CN(C)CCn1cc(NC(=O)c2ccc(N3CCC[C@H](C(N)=O)C3)cc2)ccc1=O 1320205703 DTNNIAWBALSUNT-KRWDZBQOSA-N 411.506 1.364 0 50 HDAA CSCC(=O)N1C[C@H]2CN(C(=O)CCn3nc(C)cc3C)C[C@@]2(CN(C)C)C1 1772711672 CKHKMIXHXVPGTC-XLIONFOSSA-N 407.584 1.102 0 50 HDAA COCc1nnc(N2C[C@@H](C(=O)NCc3cc(OC)ccc3OC)CC2=O)s1 1857716595 BTFYONSYJZAFGV-LBPRGKRZSA-N 406.464 1.371 0 50 HDAA O=C(Nc1cnccn1)[C@@H]1CCCN(S(=O)(=O)c2cnn(-c3ccccc3)c2)C1 1875256642 MPATXBHFEFVXFH-OAHLLOKOSA-N 412.475 1.702 0 50 HDAA Cc1nnc(C(=O)N(C)C2C[C@@H]3CC[C@H](C2)N3C(=O)[C@H]2CC[C@H]3CCC(=O)N32)s1 1875362031 MTIGCSIOFVLWKZ-SRXPKIRMSA-N 417.535 1.594 0 50 HDAA O=C(NC1CCCC1)[C@H]1CC[C@H]2OCCN(C(=O)CCc3ccc(O)nn3)[C@@H]2C1 2100539486 KKJCUKDVFKQBGN-BMGDILEWSA-N 402.495 1.570 0 50 HDAA Cc1nnc2n1C[C@H](CNC(=O)C(=O)Nc1cccc(OCc3ccncc3)c1)CC2 2325734262 MVHFDJHCHSILHF-KRWDZBQOSA-N 420.473 1.878 0 50 HDAA O=C(NC[C@]12COCCN1C(=O)COC2)c1cc(-c2ccccc2C(F)(F)F)[nH]n1 2325827981 VSTWUIZYKONPRI-GOSISDBHSA-N 424.379 1.453 0 50 HDAA COc1ccc(N([C@@H](C)C(=O)N2CC(=O)Nc3ccccc32)S(C)(=O)=O)cc1 4941384 DBRMETASPPSYME-ZDUSSCGKSA-N 403.460 1.835 0 50 HDAA O=C(c1cn(CCCNS(=O)(=O)/C=C/c2ccccc2)nn1)N1CCSCC1 11911314 NAGVNHGRJSLGAX-VGOFMYFVSA-N 421.548 1.448 0 50 HDAA COc1ccc(CN2CCC(n3cc(C(=O)NCCCO)nn3)CC2)c(C)c1C 12041064 DWHAKEPCYYHBJD-UHFFFAOYSA-N 401.511 1.853 0 50 HDAA Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCc3c(C)nn(C)c3C)CC2)cc1 12989127 JDZCXJZFSFNXJL-UHFFFAOYSA-N 404.536 1.811 0 50 HDAA COc1cccc(CNCCOc2ccccc2)c1OC[C@@H](O)CN1CCOCC1 14952616 CHSJWGKHEWFOMS-FQEVSTJZSA-N 416.518 1.936 0 50 HDAA COc1ccc(C[C@]2(CCC(=O)NCCCN3CCOCC3)CCC(=O)N2)c(F)c1 23129443 GUQYOPARSUTHFA-QFIPXVFZSA-N 421.513 1.644 0 50 HDAA Cc1occc1C(=O)N1CCC(N2CCC[C@H](C(=O)N3CCN(C)CC3)C2)CC1 71768070 ZTXXNTJXBUYHIX-SFHVURJKSA-N 402.539 1.679 0 50 HDAA CN1CCN(C(=O)C[C@@H]2C(=O)NCCN2CC(c2ccccc2)c2ccccc2)CC1 72150902 IGEFPRBULGKLKM-HSZRJFAPSA-N 420.557 1.783 0 50 HDAA CCOc1ccc(C(=O)NC2CCN(C(=O)c3cc4c(=O)[nH]c(C)cn4n3)CC2)cc1 169781152 QRZXIFBFIHULOJ-UHFFFAOYSA-N 423.473 1.764 0 50 HDAA CCN(CC)C(=O)CN(C)S(=O)(=O)N1CCC[C@H]1c1cc(OC)ccc1OC 240321582 FANCIMIPRXDRSQ-KRWDZBQOSA-N 413.540 1.886 0 50 HDAA Cc1cccc2nc(CNC(=O)c3nc(C)n(-c4n[nH]c(C(F)(F)F)n4)n3)n(C)c12 476453273 STRDKEONJRRBOV-UHFFFAOYSA-N 419.371 1.838 0 50 HDAA O=C(N[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1)[C@H]1CCCO1 481571938 OYXVUCCGRLYLKP-DZGCQCFKSA-N 417.325 1.897 0 50 HDAA COc1ccc(S(N)(=O)=O)cc1C(=O)N[C@H]1CCCN(Cc2cccs2)C1 670471140 ABVGGIBAZRFQOY-ZDUSSCGKSA-N 409.533 1.799 0 50 HDAA CN(CC[C@@H]1CCCCN1C)c1ncnc2c1ncn2CC1(CO)CCOCC1 888097674 MNMUVXRMCCEJDA-KRWDZBQOSA-N 402.543 1.926 0 50 HDAA Cc1ncnc(C)c1C(=O)N1C[C@H]2CN(C(=O)c3cccc(Cl)c3)C[C@]2(CO)C1 1772711200 RMAIXOMTJGTEOJ-IIBYNOLFSA-N 414.893 1.954 0 50 HDAA COc1ccc(F)c(F)c1CN1C[C@H]2CN(C(=O)c3ccnn3C)C[C@@]2(CO)C1 1772809697 CPVXGZDPEKVMJT-RNODOKPDSA-N 406.433 1.273 0 50 HDAA CCOc1ccc2nc(N3C[C@H](C(=O)N4CCS(=O)(=O)CC4)CC3=O)sc2c1 1857734443 JQBMETASOYRQKB-GFCCVEGCSA-N 423.516 1.305 0 50 HDAA Cn1cc([C@H]2[C@H](CN3CCCCC3)OCCN2C(=O)c2cn3cccnc3n2)cn1 1875244463 LPLZEEIUUVGYLL-OALUTQOASA-N 409.494 1.531 0 50 HDAA CCOC(=O)C1CCN(c2ncnc3c2ncn3C[C@@H](CO)[C@H]2CCOC2)CC1 1875269260 PRDMNGRMYFZGAU-HOTGVXAUSA-N 403.483 1.251 0 50 HDAA O=C(CCc1nc(-c2ccc(F)cc2)no1)N1CCC[C@@H](n2cc(CO)nn2)C1 2325729492 GSLNJWBZEVWVRV-MRXNPFEDSA-N 400.414 1.756 0 50 HDAA Cn1nnc([C@@H]2CN(CCCN3CCN(c4cccc(Cl)c4)CC3)CCO2)n1 2356145182 FGTWRMDIRHZGND-SFHVURJKSA-N 405.934 1.449 0 50 HDAA COC(=O)C1=C(C)N=c2s/c(=C/c3cnn(C)c3C)c(=O)n2[C@H]1c1ccccc1 1003247 FGXTTWHUXXPEAA-BXBHGGAKSA-N 408.483 1.450 0 50 HDAA Nc1cccc(C(=O)Nc2cccc(S(=O)(=O)CCOS(=O)(=O)O)c2)c1 2810834 AOPDVNXDCYQIDT-UHFFFAOYSA-N 400.434 1.114 0 50 HDAA COc1ccc(CNC(=O)C2CCN(S(=O)(=O)N3CCCC3)CC2)c(OC)c1 2943534 IOFHSKSJGPTUGV-UHFFFAOYSA-N 411.524 1.373 0 50 HDAA Cc1nn(C)cc1CN(C)Cc1cnc(S(=O)(=O)CC2CC2)n1C[C@@H]1CCCO1 11820342 MFSARKFQPDCIFO-IBGZPJMESA-N 421.567 1.920 0 50 HDAA COc1cccc([C@]2(CC(=O)N(C)CCn3nc(C)cc3C)CC(=O)N(C)C2=O)c1 14998674 RSUPTCJTNDHPAO-QFIPXVFZSA-N 412.490 1.684 0 50 HDAA Cc1cn([C@@H]2O[C@H](CC(=O)Oc3ccccc3)[C@@H]3OC(C)(C)O[C@@H]32)c(=O)[nH]c1=O 16134123 LYVAXTPGEBXFJT-GRZALLJUSA-N 402.403 1.258 0 50 HDAA CN(C)CCNC(=O)CC[C@H]1CN(Cc2ccccc2)CC[C@H]1N1CCN(C)CC1 23359120 BCSCIFKEIHLIFM-XZOQPEGZSA-N 415.626 1.583 0 50 HDAA CCN1CCN(C(=O)[C@H]2[C@@H]3C=C[C@@]4(CN(CCOc5ccccc5)C(=O)[C@@H]24)O3)CC1 77453029 CIMFRZPUIXFECD-GJPOJAMWSA-N 411.502 1.012 0 50 HDAA CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)OCCCCCO)c1 170616675 YLESIAGOJIGAOG-UHFFFAOYSA-N 400.497 1.093 0 50 HDAA O=C1N[C@@H](CC(=O)N2CCN(CCOc3ccccc3)CC2)C(=O)Nc2ccccc21 206234748 VPNJYJCAEKSBFX-FQEVSTJZSA-N 422.485 1.350 0 50 HDAA C[C@H]1CCC[C@H](C)C1NS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 241837550 SKZVOLADBPYCEG-GJZGRUSLSA-N 416.565 1.811 0 50 HDAA C[C@H]1CN(C[C@H]2CCCN2C(=O)C(=O)Nc2cccc(S(C)(=O)=O)c2)C[C@@H](C)O1 438775823 HOUFVHYPEXKKAS-HLLBOEOZSA-N 423.535 1.129 0 50 HDAA Cn1nc2c(c1C(=O)N[C@@H]1C3CN4CCN(C3)CC1(c1ccccc1)C4)CCCC2 670465160 YNGGXARKFGJKBE-XAHYOPIXSA-N 405.546 1.596 0 50 HDAA Cn1cc(N2CC[C@H](NC(=O)C3(S(=O)(=O)c4ccc(Cl)cc4)CC3)C2)cn1 1318563594 WPJKIDZYMNVNGN-AWEZNQCLSA-N 408.911 1.775 0 50 HDAA O=C(c1ccccc1-n1cncn1)N1C[C@@H]2OCCC(=O)N(Cc3ccccc3)[C@H]2C1 1857701050 OHSWFRLJLQYWPT-SFTDATJTSA-N 417.469 1.909 0 50 HDAA CCc1nnc(N2C[C@@H](C(=O)NCCNC(=O)c3ccccc3Cl)CC2=O)s1 1857738959 GJQRZIXQXRRSKD-NSHDSACASA-N 421.910 1.653 0 50 HDAA O[C@@H]1CN(c2cnccn2)C[C@]12[C@H](c1ccccc1)[C@H]2CN1CCc2n[nH]cc2C1 2356162597 GNFFSKKKQCCEBY-KPUOSGPGSA-N 402.502 1.839 0 50 HDAA Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N3CCCCC3)CC2)c(C)c1 1126050 YDOUOVLFRDWWJI-UHFFFAOYSA-N 401.554 1.340 0 50 HDAA COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NCCc2cscn2)c(F)c1 12596590 UCJWZWTVIAGKPP-KRWDZBQOSA-N 406.483 1.340 0 50 HDAA CCOC(=O)c1nn(CCCc2ccccc2)c2c1CN(C(=O)[C@@H]1CNC(=O)C1)CC2 14741488 MDZRGRGWGJCVNV-KRWDZBQOSA-N 424.501 1.713 0 50 HDAA COc1cc(CN(C)Cc2cnccn2)ccc1OC[C@H](O)CN1CCSCC1 15065900 GTEZHTVOFDMHIZ-LJQANCHMSA-N 418.563 1.906 0 50 HDAA COc1cccc(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N3CCC(F)CC3)[C@@H]4C2=O)c1 77323448 VECDDYIYDVSALJ-VWNVYAMZSA-N 400.450 1.938 0 50 HDAA CCN(CC)S(=O)(=O)c1ccc(NC(=O)Cn2c(=O)ccn3nccc23)cc1 225824559 DFJLWQDWGVZIGR-UHFFFAOYSA-N 403.464 1.165 0 50 HDAA O=C(NCCCN1CCCC1=O)c1ccc2c(c1)[nH]c(=O)n2[C@H]1CC[C@H](O)CC1 244678558 IFSKSQBPNHEFLY-WKILWMFISA-N 400.479 1.548 0 50 HDAA COc1ccc(CN2C(=O)[C@@H](CC(=O)NCc3ccc4c(c3)OCO4)N=C2O)cc1 252536561 IWDZFAGEYGNXEW-MRXNPFEDSA-N 411.414 1.755 0 50 HDAA COC(=O)c1cn(Cc2nc(O)c3cnn(-c4ccccc4)c3n2)cc2c(=O)[nH]nc1-2 263587502 HOMSMUZYORERIJ-UHFFFAOYSA-N 417.385 1.346 0 50 HDAA COc1cccc([C@@H]2C[C@H](O)CN2C(=O)CCN2C(=O)[C@H]3CCCC[C@H]3C2=O)c1 328589405 QLFUTNLKCGQYQJ-KANFNMMFSA-N 400.475 1.895 0 50 HDAA CN1C(=O)CN(C(=O)CCC[S@](=O)c2ccc(Br)cc2)CC1=O 328590061 URZVWLXWYKGHBA-QHCPKHFHSA-N 401.282 1.164 0 50 HDAA COC(=O)[C@@H](O)C1CCN(C(=O)[C@@H](Cc2c[nH]c3cc(F)ccc23)NC(C)=O)CC1 438197799 BZPFKSQZDCBEQW-MOPGFXCFSA-N 419.453 1.127 0 50 HDAA COc1cc(CN2CCC(CNC(=O)Cn3ccnc3C)CC2)cc2c1OCO2 824550875 CCSMZJCNCYARKF-UHFFFAOYSA-N 400.479 1.957 0 50 HDAA Cc1ccccc1S(=O)(=O)N1CCC[C@H](CNC(=O)c2ccc(=O)n(C)c2)C1 952980410 KSXASWTZVUECRV-MRXNPFEDSA-N 403.504 1.524 0 50 HDAA O=C(O)[C@H]1CCCN(S(=O)(=O)N(CCO)CC23CC4CC(CC(C4)C2)C3)C1 1506420492 FUDHNJOBPMJCFV-WCWCZOKXSA-N 400.541 1.539 0 50 HDAA CCC[C@H]1COC[C@H]2CN(C(=O)CN3CCN(c4cccc(C)c4)CC3)CCN12 1857715779 HROGQVVSLDSLLN-FCHUYYIVSA-N 400.567 1.829 0 50 HDAA CC(C)CC[C@@]1(C(=O)O)CN(C(=O)c2nn(C)c(=O)c3ccccc23)CC[C@H]1O 2356166278 QQCBGZGUINFCGZ-IIBYNOLFSA-N 401.463 1.648 0 50 HDAA Cn1ncc(Br)c1C(=O)Nc1ccc(N2CCOCC2)c2nonc12 2779554 ZBGJDJLOBUBZEA-UHFFFAOYSA-N 407.228 1.808 0 50 HDAA CCOC(=O)N1CCN(C(=O)CC[C@]2(Cc3ccc(OC)cc3)CCC(=O)N2)CC1 12331962 NFBZJEHJDVZIGV-QFIPXVFZSA-N 417.506 1.967 0 50 HDAA COCc1cc(CN2CCN3C(=O)[C@H](Cc4ccccc4)NC(=O)[C@H]3C2)ccc1OC 14731808 QHXCETKRAFEFEW-LEWJYISDSA-N 423.513 1.596 0 50 HDAA CCN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2CCCc2ccccc2)CC1 19528221 ZKLGOUZQHKOXGS-UHFFFAOYSA-N 424.549 1.204 0 50 HDAA Cc1nonc1CN(C)Cc1cnc(S(=O)(=O)C[C@H]2CCCO2)n1CC(C)C 20325861 KWAAYDNPWFWAFH-MRXNPFEDSA-N 411.528 1.815 0 50 HDAA Cc1ccc(NC(=O)CC(=O)N2CCN(Cc3ccc4c(c3)OCO4)C(=O)C2)cc1 55195685 JHVKGCVEAJAMIW-UHFFFAOYSA-N 409.442 1.923 0 50 HDAA CCS(=O)(=O)N1CCC(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)CC1 67613470 VQOSRPFFTLVLCZ-UHFFFAOYSA-N 406.508 1.485 0 50 HDAA COc1ccnc(CS(=O)(=O)c2nnc(N3CCCCC3)n2C2CC2)c1OC 170617136 LSSAITDNUMZHAT-UHFFFAOYSA-N 407.496 1.989 0 50 HDAA CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)c1cc(S(N)(=O)=O)cn1C 170645332 BDEAKUSBFYUAKV-KRWDZBQOSA-N 404.536 1.657 0 50 HDAA O=C(O)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)NCCCCNC(=O)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O 238997490 AJOOLUPABXIBLF-UJDASVDASA-N 416.474 1.045 0 50 HDAA COc1ccc([C@@H]2N[C@H](C(=O)O)[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]32)c(OC)c1 239328975 JYDYUWDJAHMVGI-OWSLCNJRSA-N 414.389 1.746 0 50 HDAA CC[C@]1(C)c2sc(=O)[nH]c2S[C@@H]2[C@H]3C[C@@H]([C@@H]4C(=O)N([C@H](C)C(=O)O)C(=O)[C@@H]43)[C@@H]21 249693597 ODSRPHMFQGHMHT-JTRWGPOESA-N 422.528 1.919 0 50 HDAA O=C(NCc1cccn2nccc12)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 1772805526 MTDPCVAPGOGOEF-SFHVURJKSA-N 402.451 1.943 0 50 HDAA Cc1nc(N2CCOCC2)sc1C(=O)N1CCNC(=O)[C@H]1c1cccc(F)c1 1857698067 VKOXRRWQXOEOSC-OAHLLOKOSA-N 404.467 1.741 0 50 HDAA O=C(CCn1cnnn1)N1CCC[C@]2(CCc3c(O)nc(-c4cccnc4)nc32)C1 1857718761 RUVWAAQUKWBACI-FQEVSTJZSA-N 406.450 1.127 0 50 HDAA COC1(C(=O)N2CCN3C(=O)OC[C@H]3C2)CCN(Cc2cccc(C)c2F)CC1 1857737985 MFQUPLUPVVWQGQ-QGZVFWFLSA-N 405.470 1.778 0 50 HDAA Oc1cccc2c1CCC[C@@H]2NC[C@H](O)[C@@H](O)[C@H](O)c1cnn(-c2ccccc2)n1 1875262841 SXTMVNHZAXLGRA-GUGJDKNPSA-N 410.474 1.395 0 50 HDAA CN1CCC2(CC1)CN(C(=O)[C@H]1OCC(=O)N[C@@H]1c1ccccc1Cl)CCO2 2100482846 CKPFBOZJTUFGSL-MSOLQXFVSA-N 407.898 1.219 0 50 HDAA CC(=O)N(C)c1ccc(S(=O)(=O)NC(=O)CCc2ccc(C(N)=O)cc2)cc1 2325868820 MKDUURKFEFJRPZ-UHFFFAOYSA-N 403.460 1.206 0 50 HDAA CC1(C)NC(=O)N(C[C@H](O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)C1=O 3111432 FGOHOFBQUMXEKS-INIZCTEOSA-N 417.487 1.573 0 50 HDAA Cc1sc2[nH]c(SCC(=O)Nc3ccc(S(N)(=O)=O)cc3)nc(=O)c2c1C 17124257 AETDMLRFPJODJN-UHFFFAOYSA-N 424.529 1.980 0 50 HDAA CC(C)Cn1nc(C(=O)N2CCCC2)c2c1CC[C@@H](NCCN1CCOCC1)C2 23353988 UEAHNMWIXVSRIB-GOSISDBHSA-N 403.571 1.554 0 50 HDAA Cc1ccccc1CN1CCNC(=O)[C@@H]1CC(=O)Nc1c(C)nn(CC(=O)O)c1C 55108212 MJAGEWGKCSSCLC-KRWDZBQOSA-N 413.478 1.222 0 50 HDAA CN1CCN(C(=O)[C@H]2CCCN(C3CCN(C(=O)c4cccn4C)CC3)C2)CC1 71765439 PDMCPJRIZSJMIX-SFHVURJKSA-N 401.555 1.116 0 50 HDAA COc1ccc(CCN2C(=O)N[C@H](CCC(=O)N[C@@H]3NC(C)=C(C)S3)C2=O)cc1 223238157 NAHPGZYJUQKDEW-APWZRJJASA-N 418.519 1.926 0 50 HDAA O=C1CO[C@H](COc2ccc(F)cc2)CN1C1CCN(CCn2cc[nH]c2=O)CC1 299763528 WPVIKDXMSSOKGF-IBGZPJMESA-N 418.469 1.086 0 50 HDAA CCn1nc(C)c(CN2CCC[C@H](n3ncc(N4CCOCC4)cc3=O)C2)c1C 328602906 DBNHCVCQYYJAEZ-SFHVURJKSA-N 400.527 1.750 0 50 HDAA O=C(c1c[nH]nc1[C@H]1CCCN(C(=O)c2cccc3c2OCO3)C1)N1CCOCC1 328606725 SPYYHXJODQTMCB-AWEZNQCLSA-N 412.446 1.631 0 50 HDAA COCCN1CCC[C@H](NC(=O)c2ccc3c(=O)n(-c4ccccc4)c(O)nc3c2)C1 729984246 YEDJGBKXZIMTMX-KRWDZBQOSA-N 422.485 1.932 0 50 HDAA CC1(C)[C@@H](N2CCOCC2)C[C@H]1NC(=O)CCN1CCN(c2ccccn2)CC1 1452709974 BTQHDEHPVZYVAJ-MOPGFXCFSA-N 401.555 1.209 0 50 HDAA Cc1ccc2c(C)cc(N3CCN(S(=O)(=O)N4CCOCC4)CC3)nc2c1C 1704297956 BAURTMPNTUQRNV-UHFFFAOYSA-N 404.536 1.859 0 50 HDAA O=C(CNC(=O)c1ccccc1)N[C@H]1CCC[C@@H](CNS(=O)(=O)N2CCCC2)C1 1857678562 NKJAGUMYNYMXPS-AEFFLSMTSA-N 422.551 1.022 0 50 HDAA CCCS(=O)(=O)N1CCC2(CC1)CC(=O)N(Cc1nc(C(C)C)no1)CCO2 1857682538 MWUDKSLFHINJBN-UHFFFAOYSA-N 414.528 1.516 0 50 HDAA COc1ccc(C(=O)N[C@@H]2CS(=O)(=O)[C@H]3CN(Cc4cccnc4)C[C@@H]23)cc1 1857687645 XTEMHMAEUFYEJM-OTWHNJEPSA-N 401.488 1.118 0 50 HDAA Cc1nn(C)c(C(=O)N2CCO[C@@H](CN3CCCCC3)[C@@H]2c2cnn(C)c2)c1C 1857721005 UWPUBFVGIDFHBK-ICSRJNTNSA-N 400.527 1.839 0 50 HDAA CN(C)S(=O)(=O)C[C@@H]1CN(Cc2ccccc2OCc2ccccc2)C[C@H]1O 1857722203 QTIFRNOAGQXUPT-VQTJNVASSA-N 404.532 1.950 0 50 HDAA CCc1cc(S(=O)(=O)N=c2nc[nH]n2-c2ncccn2)ccc1Br 1875312435 CCHAJHTYTQVTSA-UHFFFAOYSA-N 409.269 1.605 0 50 HDAA CCc1nc(-c2ccc3nnc([C@@H](O)C(C)C)n3c2)n(-c2ccc3nncn3n2)n1 2356156618 KPPQBLFYVFCXCZ-KRWDZBQOSA-N 404.438 1.667 0 50 HDAA CC(=O)Nc1nc(Cn2nnc(-c3ccc(C(F)(F)F)cc3)n2)nc(N(C)C)n1 4751602 DTTCTMFIPQPYBB-UHFFFAOYSA-N 407.360 1.617 0 50 HDAA O=C1NCCN(CCc2ccccc2)[C@H]1CC(=O)N1CCN(c2ccncc2)CC1 12055560 DRZLYVPCPNXVMF-NRFANRHFSA-N 407.518 1.163 0 50 HDAA COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NCc2cnc(C)cn2)c(C)c1C 12591120 YPDFIDGAPOIEGH-LJQANCHMSA-N 411.506 1.417 0 50 HDAA O=C(NC[C@@H]1CCCO1)[C@@H]1C[C@H](CN2CCOCC2)CN(CCc2ccccc2)C1 14535341 GTWNISPXZIEWSY-ZLNRFVROSA-N 415.578 1.795 0 50 HDAA COC(=O)CCNC(=O)c1nn(CC2CC2)c2c1CN(Cc1ccc(O)cc1)CC2 14731317 AGWGVDOJAHKXQE-UHFFFAOYSA-N 412.490 1.850 0 50 HDAA O=C(Nc1ccc2c(c1)OCO2)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 38528107 VMMJSRNCTXMZRQ-UHFFFAOYSA-N 412.450 1.396 0 50 HDAA CN(C)S(=O)(=O)N1CCC[C@H](C(=O)NCCCN2CCc3ccccc3C2)C1 72436941 ONPIGRLESFTCJX-IBGZPJMESA-N 408.568 1.069 0 50 HDAA O=C1NC[C@@H](C(=O)N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)N1 77343491 PCOHBGOOTILTMY-SFHVURJKSA-N 400.429 1.880 0 50 HDAA O=c1cc(N2CCC(O)CC2)cnn1[C@@H]1CCCN(Cc2cnn3ccccc23)C1 328607756 WYQAKOLMLQBEBV-GOSISDBHSA-N 408.506 1.689 0 50 HDAA CCN1CCC(CCn2c(-c3cnccn3)nnc2N2CCS(=O)CC2)CC1 1296024612 CZNWSCWNXJHXBV-UHFFFAOYSA-N 403.556 1.426 0 50 HDAA COc1ccc(N2C[C@@H](C(=O)N(CCO)Cc3cncn3C)CC2=O)cc1Cl 1704356584 ZVALYMOLBCJRCG-ZDUSSCGKSA-N 406.870 1.456 0 50 HDAA O=C(c1cnsc1)N1C[C@@H]2CN(C(=O)c3scc4c3OCCO4)C[C@@]2(CO)C1 1772709192 HRQJPLIQJNAQCL-KZULUSFZSA-N 421.500 1.183 0 50 HDAA O=C(CCc1cccnc1)N1CCC2(CCc3c(O)nc(N4CCOCC4)nc32)CC1 1857719654 SCXRCRXPMYQZQK-UHFFFAOYSA-N 423.517 1.853 0 50 HDAA Cc1cn2c3c(=O)[nH]c(=O)n(C)c3nc2n1CCCN1CCN(c2ccccc2)CC1 9421146 OEGYFMUGPRIQHU-UHFFFAOYSA-N 421.505 1.197 0 50 HDAA CC(C)Oc1cccc(C(=O)[C@@H]2CCCN(C(=O)c3cc(=O)n(C)c(=O)n3C)C2)c1 11705566 MOFAIMQKWUTUOS-MRXNPFEDSA-N 413.474 1.606 0 50 HDAA COc1cc(CN2CCCN(C(C)=O)CC2)ccc1OC[C@@H](O)CN(C)C(C)C 11839555 LQJNYUTUNFROEM-FQEVSTJZSA-N 407.555 1.829 0 50 HDAA CCC(=O)[C@@H]1CCCN(C(=O)C[C@@]2(c3ccc(OC)cc3)CC(=O)N(C)C2=O)C1 14880909 UREHKBPCMXZARE-IVZQSRNASA-N 400.475 1.930 0 50 HDAA CCOC(=O)c1cnn(-c2ccc3c(c2)OCCO3)c1CNCCN1CCOCC1 20908966 GNWDIRGCSMKEJS-UHFFFAOYSA-N 416.478 1.242 0 50 HDAA COC(=O)CNC(=O)C[C@@H]1C(=O)NCCN1Cc1cccc(Oc2ccccc2)c1 55211169 LVBFXBSQCPQWEK-LJQANCHMSA-N 411.458 1.459 0 50 HDAA COc1ccccc1N1CCN([C@@H]2CCCN(C(=O)CCCn3cncn3)C2)CC1 64131527 AXRUZCRHKDLECS-LJQANCHMSA-N 412.538 1.880 0 50 HDAA CCC(CC)CN1C[C@]23C=C[C@H](O2)[C@@H](C(=O)N2CC(Oc4cccnc4)C2)[C@@H]3C1=O 77439892 FWSMPZAHOMPPEE-VAWZGJIGSA-N 411.502 1.889 0 50 HDAA CCn1cnnc1CN(C)C(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(C4CCCCCC4)C(=O)[C@H]13)O2 77521651 XQGYFMXDJJNPHI-FUOQNJDISA-N 413.522 1.761 0 50 HDAA O=C(CC[C@H]1NC(=O)N(Cc2ccco2)C1=O)N1CCN(Cc2ccccc2)CC1 206230295 VBVPVKLHTAXQRS-LJQANCHMSA-N 410.474 1.825 0 50 HDAA C[C@H]1CN(C(=O)CN(CC(=O)N2C[C@@H](C)OC[C@H]2C)Cc2cccnc2)[C@@H](C)CO1 241326141 LZNMGBAEWSRIJA-QGFMHUBQSA-N 418.538 1.155 0 50 HDAA O=C(CCCn1cnnn1)N1CC[C@]2(CCCN(Cc3ccccc3F)C2=O)C1 426410503 KVICZIAOSYWDJU-HXUWFJFHSA-N 400.458 1.634 0 50 HDAA Cc1ccccc1CN1CCNC(=O)[C@@H]1CC(=O)NCc1ccc2nc(O)[nH]c2c1 827801716 VUEYERUVUZYTGO-IBGZPJMESA-N 407.474 1.584 0 50 HDAA O=C(N[C@@H]1C2CN3CCN(C2)CC1(c1ccccc1)C3)c1ccc2nc(CO)[nH]c2c1 828809005 VKGBLYXFKMPZCQ-XAHYOPIXSA-N 417.513 1.353 0 50 HDAA O=C(CCc1ccsc1)N1C[C@@H]2CN(C(=O)c3cccc(O)c3)C[C@]2(CO)C1 1772708137 CFKBLCBTRUZUSD-UTKZUKDTSA-N 400.500 1.979 0 50 HDAA Cn1cccc1C(=O)N[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)c1cc2ccccc2o1 1775983373 WQWZYNDFMHEOHF-ZIAGYGMSSA-N 401.444 1.097 0 50 HDAA O=C([C@H](O)CN[C@H]1CCOC1)N1CCN(C2c3ccccc3-c3ccccc32)CC1 1875308449 GVPUMDVQXABSOK-HTAPYJJXSA-N 407.514 1.640 0 50 HDAA COc1ccc([C@H](CC(=O)NCCNC(C)=O)c2c(O)nc3ccccn3c2=O)cc1 2049511994 KAPRLBACLOKZIU-KRWDZBQOSA-N 424.457 1.183 0 50 HDAA Cc1nc(C(=O)NCc2ccccc2-c2cccc(C(=O)O)c2)nn1-c1nc[nH]n1 2325851512 AOVOPVZLWNXTFK-UHFFFAOYSA-N 403.402 1.989 0 50 HDAA COc1cc(C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)cc(OC)c1OC 893150 GGBIZFAFMJRBHP-UHFFFAOYSA-N 420.487 1.859 0 50 HDAA CN(Cc1ccc(C(=O)NCc2ccccc2Cl)c(=O)[nH]1)C[C@H]1COCCO1 15001477 UZGBAAAWCSDUKL-INIZCTEOSA-N 405.882 1.806 0 50 HDAA COc1ccc(CNCCCn2cccn2)c(OC[C@H](O)CN2CCN(C)CC2)c1 20534645 FMHUBLHYDLSDQG-HXUWFJFHSA-N 417.554 1.059 0 50 HDAA CCOC(=O)CN(C)Cc1ccc(OC)c(OC[C@@H](O)CN2CCCN(C)CC2)c1 20541574 FENLIYWRHUCVMO-IBGZPJMESA-N 423.554 1.067 0 50 HDAA COc1cccc(NC(=O)N2CCN(c3cc(N4CCN(C)CC4)ncn3)CC2)c1 72119211 YJJGOGSLRALJMI-UHFFFAOYSA-N 411.510 1.591 0 50 HDAA CN1CCCC[C@H]1C(=O)N1CCC2(CCC(=O)N(CCCn3ccnc3)C2)CC1 91907765 QDLYADVCJCTMQK-IBGZPJMESA-N 401.555 1.989 0 50 HDAA CN1CCC(N2CCN(Cc3cc(F)ccc3-n3cccn3)C[C@H]2CCO)CC1 104412905 ZGIFCFNRGNFRTF-OAQYLSRUSA-N 401.530 1.974 0 50 HDAA C[C@H](C(=O)NCc1ccccc1S(=O)(=O)N(C)C)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 247931245 FZNROWLPJJGEJA-FVQBIDKESA-N 421.519 1.117 0 50 HDAA O=C(N[C@@H]1CC(=O)N([C@H]2C[C@H]2c2ccccc2)C1)c1ccc(-c2nc(=O)o[nH]2)cc1 440403526 SOGZBIVAPWJWSK-SQNIBIBYSA-N 404.426 1.917 0 50 HDAA Cc1ccc(NC(=O)[C@H]2CC(=O)N(Cc3cccnc3)C2)cc1NC(=O)CN(C)C 952973607 HHGARVVVABGITL-KRWDZBQOSA-N 409.490 1.877 0 50 HDAA CC(=O)Nc1c[nH]nc1[C@H]1CCCN(C(=O)c2ccc(=O)n(-c3cnn(C)c3)c2)C1 1342479906 CQGWNAMGXMBVCN-AWEZNQCLSA-N 409.450 1.272 0 50 HDAA COc1cccc(CN(CCN(C)C)C[C@H]2CCCO2)c1OCCN1CCOCC1 1506410859 UWTGMNRZPIHNTM-OAQYLSRUSA-N 421.582 1.949 0 50 HDAA Cc1cc(=O)n(CCN2CCC3(CC[C@@H](CNC(=O)c4ccco4)O3)CC2)c(O)n1 1529195058 FBGJKSBFOQERHR-INIZCTEOSA-N 416.478 1.294 0 50 HDAA CN(C)c1ncc(Br)c(C(=O)NCc2cccc3c2NC(=O)CO3)n1 1857531136 SDBKNBFWCMGASS-UHFFFAOYSA-N 406.240 1.566 0 50 HDAA COc1nc2ccccc2nc1CCC(=O)NC[C@@H]1CCC[C@H](NC(=O)CO)C1 1857670591 ACUAUGWKDLRDCI-CABCVRRESA-N 400.479 1.355 0 50 HDAA NC(=O)c1ccc(N[C@H]2CC[C@H](C(=O)NCc3ccc4c(c3)OCO4)C[C@@H]2O)nc1 1857694006 WTCOGVSEXVKKMZ-BPUTZDHNSA-N 412.446 1.167 0 50 HDAA CNC(=O)c1cc(NC(=O)C(=O)N[C@@H]2c3ccccc3C[C@@H]2C)cc(C(=O)NC)c1 2325872991 UQTGUOFGALVPRD-SGTLLEGYSA-N 408.458 1.394 0 50 HDAA CN(C)c1ncc2c(n1)[C@@]1(CCCN(C(=O)c3cccc(OCC(N)=O)c3)C1)CC2 2356146206 WLMHBTYVYUKQHD-QFIPXVFZSA-N 409.490 1.527 0 50 HDAA CCOC(=O)C1=C(CSc2nnnn2C)N(CC)C(=O)N[C@H]1c1ccccc1 2732750 CROYSYUPXVGDPA-HNNXBMFYSA-N 402.480 1.906 0 50 HDAA CC(=O)OC(OC(C)=O)[C@@]12C=C[C@@H](O1)[C@H]1C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]12 4818492 NOJVQKNKQVCBJF-GPINWOSQSA-N 405.790 1.605 0 50 HDAA O=C(O)[C@@H]1C2CCC(CC2)[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 6731493 FXZBYQWHEGCTQW-VKYMVXLJSA-N 424.494 1.796 0 50 HDAA COCCNC(=O)c1ccc(OC)cc1OC1CCN(Cc2cnn(C)c2)CC1 11873602 DXHKNTCFGYEAFN-UHFFFAOYSA-N 402.495 1.848 0 50 HDAA CC(C)S(=O)(=O)c1ncc(CN2CCC(C(N)=O)CC2)n1Cc1ccccc1F 12437606 MCGVNGOCXGNMFH-UHFFFAOYSA-N 422.526 1.950 0 50 HDAA O=C(c1cc2ncccn2n1)N1CCC[C@@H](CNS(=O)(=O)Cc2ccccc2)C1 12702684 ZQJOSIDENOZZOO-KRWDZBQOSA-N 413.503 1.701 0 50 HDAA COc1cc(CNCCc2ccncc2)ccc1OC[C@@H](O)CN1CCOCC1 20256271 OMCNCQVIMIQQGY-FQEVSTJZSA-N 401.507 1.494 0 50 HDAA Cc1nc(N2CCCCC2)cc(N2CCN(S(=O)(=O)c3cccnc3)CC2)n1 65363218 PFTNMYOQKCJIKF-UHFFFAOYSA-N 402.524 1.681 0 50 HDAA Cc1nc(N2CCN(c3cc(=O)[nH]nc3-c3ccccc3)CC2)c2cnn(C)c2n1 72129515 INONAAUYRJOKRQ-UHFFFAOYSA-N 402.462 1.749 0 50 HDAA CCCCN(CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 100101906 KUNSAAKSJPPWOQ-GWLLLGGASA-N 423.513 1.618 0 50 HDAA CC(=O)N1CCN(Cc2ccc(NC(=O)[C@H]3CCCN3C3CCOCC3)cc2)CC1 170592317 IUKIHJDWCQCRQR-JOCHJYFZSA-N 414.550 1.933 0 50 HDAA CC[C@H](C)[C@H](N)C(=O)NC[C@H]1CC[C@H](C(=O)N[C@H](CCSC)C(=O)O)CC1 248026130 LTNCNCHCRIIRGR-GVRJEKJASA-N 401.573 1.605 0 50 HDAA biogenic CC[C@H](CO)N1CCN(S(=O)(=O)c2ccc(NC(=O)c3ccccn3)cc2)CC1 408521535 XWDBNLJBQLQHFC-QGZVFWFLSA-N 418.519 1.411 0 50 HDAA O=C(c1cccc(F)c1)N1CCOC2(CCN(C(=O)c3cncc(=O)[nH]3)CC2)C1 826609348 PEJKBBBDCNNVAG-UHFFFAOYSA-N 400.410 1.056 0 50 HDAA CN(Cc1ccc2nsnc2c1)C(=O)C1CCN([C@@H]2CCS(=O)(=O)C2)CC1 1506404259 WEDIUFFPVIXTMG-OAHLLOKOSA-N 408.549 1.549 0 50 HDAA CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)Cc1ccc(-c2ccccc2)cc1 1704298870 KKDYSMAYNAUNKL-PMACEKPBSA-N 402.516 1.919 0 50 HDAA CCn1ncc(CNC(=O)[C@H]2OCC(=O)N[C@@H]2c2ccc(OC)c(OC)c2)c1C 2100540599 MMCFOPVNFIPRID-MOPGFXCFSA-N 402.451 1.101 0 50 HDAA O=C(N[C@H]1[C@@H]2CN(C(=O)/C=C/c3ccco3)C[C@@H]21)c1ccc2c(c1)NCCNC2=O 2325872624 GZYYMLDXQKNSFP-UKVMIHDDSA-N 406.442 1.335 0 50 HDAA C[C@H](CCOC1=NS(=O)(=O)c2ccccc21)NC(=O)C(=O)Nc1ccccc1 2296109 BLEUSNXTYHOABH-CYBMUJFWSA-N 401.444 1.686 0 50 HDAA CCOC(=O)C1=C(C)OC(N)=C(C(=O)OCCOC)[C@]12C(=O)Nc1ccccc12 2489714 VIHABALHLMDFRC-HXUWFJFHSA-N 402.403 1.104 0 50 HDAA biogenic O=C(Cn1nc2ccccc2n1)N1CCC[C@@H](CNS(=O)(=O)c2cccs2)C1 12596871 VTIZOBMFPIFBOM-AWEZNQCLSA-N 419.532 1.710 0 50 HDAA COc1ccc(CN2CCCN(C(C)=O)CC2)cc1OC[C@@H](O)CN1CCCCC1 12703960 VAVXZHQCLVEELY-NRFANRHFSA-N 419.566 1.975 0 50 HDAA Cc1ncc(C(=O)N2CCC(N3CCC[C@H](C(=O)N4CCCC4)C3)CC2)c(=O)[nH]1 82096460 GUGSNOZMZYUSPB-INIZCTEOSA-N 401.511 1.017 0 50 HDAA COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)c1cc(C(C)C)n[nH]1)CC2 95508071 HCVGBZKPCAIBNG-UHFFFAOYSA-N 400.483 1.419 0 50 HDAA CC(C)(C)OC(=O)N1CC2(C1)CS(=O)(=O)C[C@@H]2NC(=O)OCc1ccccc1 258831212 JQJKIGGXMBDQBJ-HNNXBMFYSA-N 410.492 1.947 0 50 HDAA CS(=O)(=O)CCN1CCN(C(=O)[C@H]2C[C@@H](c3ccccc3)N3CCC[C@H]23)CC1 299774684 HLBXEBMGXYKNIC-ZCNNSNEGSA-N 405.564 1.401 0 50 HDAA O=C(Cn1nnnc1[C@@H](c1ccccc1)N1CCOCC1)NCc1cc(C2CC2)n[nH]1 426424392 RZCUSKRNEGNHOT-HXUWFJFHSA-N 422.493 1.012 0 50 HDAA CS(=O)(=O)c1ccc(S(=O)(=O)NC[C@@](O)(c2ccccc2)C(F)(F)F)cc1 751301508 VNSSKEILPLVDPJ-OAHLLOKOSA-N 423.434 1.819 0 50 HDAA COc1cccc(-c2noc(CCCC(=O)N3C[C@@H]4CCOC[C@]4(CO)C3)n2)c1 1857668947 GAKIQMKNXLYDAW-HRAATJIYSA-N 401.463 1.925 0 50 HDAA CC(C)N1CC(=O)N2[C@H](c3ccccc3)[C@H](C(=O)N(C)Cc3nncn3C)C[C@@H]2C1 1857693344 SICCCBDBCOICGW-DBXWQHBBSA-N 410.522 1.456 0 50 HDAA CCOC(=O)[C@H]1[C@@H](C)C=C[C@H]2CN(C(=O)c3cn([C@H]4CC[C@@H](N)CC4)nn3)C[C@H]12 1857697374 SBRUDLQHWMQLJD-YDRUYBAWSA-N 401.511 1.794 0 50 HDAA COC(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(c3nc4ccc(C)cc4s3)C2)CC1 1857719339 IXYGQWMPYFCUQT-CYBMUJFWSA-N 402.476 1.868 0 50 HDAA CCCCc1nc(C)cc(=NCCNC(=O)[C@H]2CC(=O)N(c3nccs3)C2)[nH]1 1857720690 FQXBYCVGMDSIBK-AWEZNQCLSA-N 402.524 1.587 0 50 HDAA O=C(O)Cc1ccccc1NC(=O)c1ccc2c(c1)CN([C@H]1CCC(=O)NC1=O)C2=O 2325896040 PJJHUIYXXHGVTL-KRWDZBQOSA-N 421.409 1.327 0 50 HDAA Cn1cc(C(=O)N=[S@@](C)(=O)C2CCN(C(=O)c3csnn3)CC2)c(C2CC2)n1 2332238534 BIGMHLHEXJOBEN-NDEPHWFRSA-N 422.536 1.692 0 50 HDAA O=C1C[C@@H](N2CCC3(CC2)C(=O)NCN3c2ccccc2)C(=O)N1c1ccc(F)cc1 4629037 OXJOOAMLVVWQNL-LJQANCHMSA-N 422.460 1.886 0 50 HDAA NS(=O)(=O)c1ccc(CCN[C@@H]2CC(=O)N(c3cccc(Cl)c3)C2=O)cc1 4682439 FFUITZZYGCXRLQ-MRXNPFEDSA-N 407.879 1.452 0 50 HDAA CCOC(=O)C1CCN(C(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)CC1 7766022 FSGITOPJFAWAIN-UHFFFAOYSA-N 410.492 1.123 0 50 HDAA CC(C)c1nccn1CCCNC(=O)[C@@H]1CCC(=O)N(CCN2CCOCC2)C1 11663274 JXGCQEJVASZUMB-GOSISDBHSA-N 405.543 1.084 0 50 HDAA COc1ccc2nc(N3CCOCC3)c(/C=C3/C(=O)NC(=S)N3C(C)=O)cc2c1 31844630 MGBHJXOJNFVORU-BOPFTXTBSA-N 412.471 1.684 0 50 HDAA CNc1ccnc(N2CCC(N3CCC[C@@H](C(=O)NCc4cccnc4)C3)CC2)n1 82126827 PAWBQPZVXRVLOR-GOSISDBHSA-N 409.538 1.911 0 50 HDAA CC(C)C[C@H](C(=O)N1CCC[C@H](Cn2ccnn2)C1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O 252477309 LSWJSSYOKCVNPE-WJFTUGDTSA-N 413.522 1.883 0 50 HDAA O=C(c1ccc(=O)n(CCOc2ccccc2Cl)c1)N1CC[C@@H](c2nn[nH]n2)C1 1471459142 BEJDSWULRHAINR-CYBMUJFWSA-N 414.853 1.724 0 50 HDAA COCCN1CCC(C(=O)N2CC[C@H](O)[C@@](Cc3ccccc3)(C(=O)O)C2)CC1 1704338231 OCRZDWFACOHABX-UGKGYDQZSA-N 404.507 1.252 0 50 HDAA O=C(C(=O)N1CCC2(CCSCC2)CC1)N1CCN(C(=O)N2CCCC2)CC1 1875309637 GYWPIFNJDKDRFQ-UHFFFAOYSA-N 408.568 1.482 0 50 HDAA CN=c1ccc(C(=O)N2CC[C@H]3[C@@H](CCCN3C(=O)c3n[nH]c(C)c3Cl)C2)c[nH]1 1875322497 VGXSCEIFQULYOZ-GJZGRUSLSA-N 416.913 1.997 0 50 HDAA O=C1CC[C@H](c2ccccc2)CCNC(=O)CN(C(=O)C2CCOCC2)CCCN1 1940193621 QVVDLYCCYCBXJJ-IBGZPJMESA-N 415.534 1.832 0 50 HDAA Cn1c(=O)c2c(ncn2CCOC(=O)C(C)(C)Oc2ccc(Cl)cc2)n(C)c1=O 538438 KYAKGJDISSNVPZ-UHFFFAOYSA-N 420.853 1.488 0 50 HDAA biogenic,in-man COCCNC(=O)CCC1CCN(C(=O)[C@@H]2CC(=O)N(Cc3ccccn3)C2)CC1 12304762 QUDWBCGLYJBOLQ-GOSISDBHSA-N 416.522 1.212 0 50 HDAA CCN(CC)C(=O)Cn1cc(C(=O)N(C)CCc2nc3cc(F)ccc3[nH]2)nn1 12438743 GYRZWKVSSICNNC-UHFFFAOYSA-N 401.446 1.477 0 50 HDAA CCc1c(C)sc(NC(=S)N2CCN(S(C)(=O)=O)CC2)c1C(=O)OC 13545161 DRIPTQGMUBBFOM-UHFFFAOYSA-N 405.567 1.680 0 50 HDAA COCCN1C(=O)N(CCCc2cccnc2)C(=O)C12CCN([C@@H](C)CO)CC2 14750074 PKUQUYCOFODTGK-KRWDZBQOSA-N 404.511 1.140 0 50 HDAA COCCCNc1nc2nonc2nc1N1CCC([C@H](C)N2CCOCC2)CC1 19223324 AHNYUPZATWZACA-AWEZNQCLSA-N 405.503 1.398 0 50 HDAA COc1ccc(C2(C(=O)N3CC[C@@H](N4CCN(C)CC4)[C@H](O)C3)CCCC2)cc1 19740508 QRIOLYNMHSDKBF-NHCUHLMSSA-N 401.551 1.716 0 50 HDAA CCn1nc(C)c(CNC(=O)[C@@H]2CCC(=O)N(CCCN3CCOCC3)C2)c1C 19794881 YMEAUIXKFJANDW-GOSISDBHSA-N 405.543 1.097 0 50 HDAA COc1cccc([C@H]2CCCCN2C(=O)CCn2nnnc2CN2CCOCC2)c1 20599512 SPKSANJEWPUVTK-LJQANCHMSA-N 414.510 1.658 0 50 HDAA O=C1CC[C@@H](C(=O)N2CCN(CCCCO)CC2)CN1CCc1cccc(F)c1 39551792 KYHJUVNPDNOTDR-LJQANCHMSA-N 405.514 1.524 0 50 HDAA COC(=O)CC1CCN(C(=O)C[C@H]2NC(=O)N(Cc3ccccc3Cl)C2=O)CC1 223228025 SZXFWKCOHMXHTO-MRXNPFEDSA-N 421.881 1.952 0 50 HDAA C[C@H](NC(=O)CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)c1ccc(S(C)(=O)=O)cc1 240900787 ITYVBDISOGHYNH-IAOVAPTHSA-N 404.488 1.609 0 50 HDAA C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1cccc(C(=O)N[C@H]2CN(C3CC3)C[C@H]2C)n1 467720432 OBRFZKMFEPYPSE-ZFJWPNLUSA-N 411.550 1.507 0 50 HDAA Cc1cc(C(=O)NCC2CCN(C(=O)CN3CCCN(C)CC3)CC2)cc(C)n1 823778389 SKWLQDGLVILCRU-UHFFFAOYSA-N 401.555 1.304 0 50 HDAA O=C1CCCN1CC(=O)N1CC[C@H]2[C@@H](C1)CN2C(=O)Cc1ccccc1C(F)(F)F 1775978756 IBWGMRLONNVGGF-RDJZCZTQSA-N 423.435 1.930 0 50 HDAA Cc1cc(=O)cc(C(=O)NC[C@@H]2CN(CC3CCN(CC4CC4)CC3)C(=O)CO2)o1 1857672012 DINOHAXMZQRYOI-LJQANCHMSA-N 417.506 1.027 0 50 HDAA O=C(C[C@@H]1CCCOC1)N1CCC2(CCc3c(O)nc(N4CCOCC4)nc32)CC1 1857717502 WFPKPAXBMCJKRI-INIZCTEOSA-N 416.522 1.642 0 50 HDAA Cc1c(C(=O)N2CCO[C@@H](CN(C)C)[C@@H]2c2cnn(C)c2)cnn1-c1ccccn1 1857722934 QGOOPHSXLXGCGJ-ICSRJNTNSA-N 409.494 1.453 0 50 HDAA CCc1nc(=N)[nH]c(=N[C@@H](CNC(=O)c2cccc([S@@](C)=O)c2)C2CCC2)[nH]1 1875335165 UUQFDOHXNMWGJC-OHZJNBGDSA-N 402.524 1.016 0 50 HDAA CCCCN1CCCC[C@@H]1CN1CCC(=O)N(Cc2nnnn2CC2CC2)C1=O 1875387768 WMQXPMDDIYQKGE-QGZVFWFLSA-N 403.531 1.892 0 50 HDAA COc1ccn2ncc(C(=O)N3CCN(C(=O)[C@H]4CC(C)(C)CO4)C[C@H]3C)c2c1 2325829487 KYUBCGPUXNJNGM-RDTXWAMCSA-N 400.479 1.831 0 50 HDAA COc1ccc([C@@H]2[C@@H](C(=O)NC3(C(N)=O)CCCC3)OCC(=O)N2C2CC2)cc1 2356139917 MMUVVIOXOAHAPI-MSOLQXFVSA-N 401.463 1.040 0 50 HDAA O=C1NCCN(Cc2ccc(F)cc2)[C@H]1CC(=O)N1CCN(C2CCCCC2)CC1 11775391 CALOAIZOJQBVES-NRFANRHFSA-N 416.541 1.993 0 50 HDAA COc1ccc(CN2CCc3nnc([C@H](NS(C)(=O)=O)C(C)C)n3CC2)cc1 12048072 DTIBCVSJIPGATC-GOSISDBHSA-N 407.540 1.591 0 50 HDAA COC(=O)c1ccc(CNC(=O)C[C@H]2C(=O)NCCN2Cc2ccccc2C)cc1 12075832 PQERJWNMBYZEOM-FQEVSTJZSA-N 409.486 1.789 0 50 HDAA CC(C)N(C)Cc1nnnn1CC(=O)NCC1CCN(CCc2ccccc2)CC1 12570870 CROYCOQJBAAOKM-UHFFFAOYSA-N 413.570 1.584 0 50 HDAA COC[C@@H](C)N1CCC2(CC1)C(=O)N(CC(=O)OC)C(=O)N2CCc1ccccc1 14732432 SDLPANTWTDUFAH-QGZVFWFLSA-N 417.506 1.536 0 50 HDAA COc1ccc(OC[C@H](O)CN2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 19809732 NAOLLHXJGCECEF-GOSISDBHSA-N 400.475 1.981 0 50 HDAA CCN1CCN(C[C@@H](O)COc2cccc(CN(CC)CCn3cccn3)c2)CC1 19840894 WBMQGTNDGWFNRD-JOCHJYFZSA-N 415.582 1.782 0 50 HDAA Cc1cccc(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N(C)CCc3cn[nH]c3)[C@H]4C2=O)c1 77377803 DLVQEMSGSZUKIJ-MXBUBSDBSA-N 406.486 1.701 0 50 HDAA Cc1nc(C)c(C(=O)Nc2cccc(S(=O)(=O)N3C[C@@H]4C[C@H]5C[C@H]4[C@@H]3[C@@H]5O)c2)o1 408521030 FXNKPYYGUHIJPK-LFYPYMNQSA-N 417.487 1.934 0 50 HDAA O=C(NC[C@@H]1CCCN(c2nnnn2-c2ccccc2)C1)c1cc(C(F)F)[nH]n1 828210143 VNBGDDFOXLNDNJ-LBPRGKRZSA-N 402.409 1.969 0 50 HDAA O[C@H]1CN(Cc2cnc(N3CCOCC3)nc2)C[C@@H]1Cc1ccnc2ccccc12 1615736515 LLEXFUJIXZNYRH-UGKGYDQZSA-N 405.502 1.897 0 50 HDAA CN(C)c1nc2c(c(=N[C@@H]3CCOC3)[nH]1)CCC21CCN(C2CCOCC2)CC1 1857703623 PKFDUEYLRZVHNX-MRXNPFEDSA-N 401.555 1.624 0 50 HDAA COc1ccc(CN(C)C[C@@]2(O)CCCN(c3nccc(=N)[nH]3)C2)c2cccnc12 1857723138 VIWWYZXZKCWVBS-QFIPXVFZSA-N 408.506 1.909 0 50 HDAA CO[C@H](C)[C@@H](NC(=O)c1cncc(F)c1)c1cn(-c2cncc(C(=O)O)c2)nn1 1875324907 NORFANPJLZZOCS-QLJPJBMISA-N 400.370 1.401 0 50 HDAA COc1ccc(F)cc1C(=O)N[C@@H]1CN(C(=O)C[C@H]2CCNC2=O)CC(C)(C)C1 1875334838 HLLYUBWZHQUZFO-HIFRSBDPSA-N 405.470 1.717 0 50 HDAA COc1ccc(F)cc1C(=O)N[C@@H]1CC[C@H]2C[C@H]1CN2C(=O)C[C@H]1CCNC1=O 1875335249 YKXUFYVKBYFFTI-RPCCPQHDSA-N 403.454 1.470 0 50 HDAA CNC(=O)c1cccc(NS(=O)(=O)c2ccc(N3C(=O)CCC3=O)nc2)c1C 1875343533 MJOZWTDIWBSNID-UHFFFAOYSA-N 402.432 1.204 0 50 HDAA C=CC(=O)N(C)c1ccc(C(=O)N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)cc1 2325890034 UWZDYYPLUGOSIL-GOSISDBHSA-N 421.519 1.102 0 50 HDAA CN(Cc1ccccc1)S(=O)(=O)c1ccc(OCC(=O)N2CCOCC2)cc1 667507 YEDIAVNBNBFDDY-UHFFFAOYSA-N 404.488 1.745 0 50 HDAA COCCOC1CCN(Cc2cnc(S(=O)(=O)CC3CC3)n2CCOC)CC1 12442985 XLHWOHCDJJJSQJ-UHFFFAOYSA-N 415.556 1.341 0 50 HDAA Cc1ccnn1CCC(=O)N1CC(=O)N(CC(C)C)C[C@H](OCc2ccccn2)C1 14535204 LTHLHOKTMMLSAZ-FQEVSTJZSA-N 413.522 1.889 0 50 HDAA CC(C)S(=O)(=O)c1ncc(CN2CCCN(C=O)CC2)n1Cc1ccccc1F 23128475 AHCNXVTVEAGASJ-UHFFFAOYSA-N 422.526 1.917 0 50 HDAA C[C@H](O)[C@@H]1N[C@@]2(C(=O)Nc3ccc(F)cc32)[C@@H]2C(=O)N(C3CCCCCC3)C(=O)[C@H]12 245327366 OTFGQGNYDVZDKF-WPUQCQLBSA-N 415.465 1.650 0 50 HDAA O=C(CNC(=O)c1ccccc1)NC[C@H]1CC[C@H](C(=O)NCCc2c[nH]cn2)CC1 252430891 QIIIERFXPQPNPZ-SAABIXHNSA-N 411.506 1.421 0 50 HDAA CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=S)N[C@H]2CCC(=O)N(C)C2)c1 737458994 JEHMYULGIVEMMU-AWEZNQCLSA-N 412.581 1.933 0 50 HDAA CN(C)C[C@@]12CN(C(=O)C3CCC3)C[C@@H]1CN(S(=O)(=O)Cc1ccc(F)cc1)C2 1772816609 XACNZWWYDAWSGU-NQIIRXRSSA-N 423.554 1.778 0 50 HDAA Cc1n[nH]cc1C(=O)N1CCC(N2C[C@@H](COc3ccc(F)cc3)OCC2=O)CC1 1857735834 CENRQAGPTROSHP-SFHVURJKSA-N 416.453 1.768 0 50 HDAA O=C(NC[C@H]1CCCCN1)c1ccoc1S(=O)(=O)N1CCc2ccccc2C1 1875305653 WQBKSQJVSFIFCE-QGZVFWFLSA-N 403.504 1.899 0 50 HDAA C[C@H]1CN(C(=O)C2CC(n3ccnc3)C2)CC[C@@H]1CNC(=O)c1nc[nH]c2nccc1-2 1875353405 RPXKTYJRVIXZCS-NJINODPHSA-N 421.505 1.972 0 50 HDAA O=C1CC[C@@H](N2Cc3cc(C(=O)N4CCC[C@]5(CCCCN5)C4)ccc3C2=O)C(=O)N1 2325896287 VPPHKONUTJVCIS-WZONZLPQSA-N 424.501 1.196 0 50 HDAA O=C(c1cc(O)nc(O)n1)N1CC[C@@H]([C@@H]2CCCN2C(=O)c2c[nH]c3nccc-3c2)C1 2332239546 ISDXWLSPAAMYOT-CJNGLKHVSA-N 422.445 1.483 0 50 HDAA O=C(NC[C@@H]1CCC2(CCN(Cc3cccc(OCCO)c3)CC2)O1)[C@@H]1CCCO1 12182968 LVPWTIMEPDYLOD-SFTDATJTSA-N 418.534 1.867 0 50 HDAA COc1ccc(C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1OC1CCN(C(C)C)CC1 12835945 PSXHEZPNHRAKAG-MRXNPFEDSA-N 410.536 1.864 0 50 HDAA O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1)N1CCN(CCO)CC1 19810912 XCGITDOAROOJBQ-UHFFFAOYSA-N 424.526 1.614 0 50 HDAA COC(=O)c1cc(Br)ccc1S(=O)(=O)N1CCC[C@@]1(C)C(=O)O 170605273 FWWGXFZNHHWJAE-AWEZNQCLSA-N 406.254 1.864 0 50 HDAA COc1ccccc1[C@@H]1N[C@H](C(=O)O)[C@@H]2C(=O)N(c3cccc(C(=O)O)c3)C(=O)[C@@H]12 226934307 QEDAEDLVVRNFCM-NCOADZHNSA-N 410.382 1.297 0 50 HDAA CC[C@H](C)N1C(=O)[C@@H]2[C@H]([C@H](C)O)N[C@]3(C(=O)Nc4c(C)cc(Cl)cc43)[C@@H]2C1=O 245255694 KYBSGTWCHDEYMC-DTOLVPOJSA-N 405.882 1.548 0 50 HDAA COc1ccc(CCN2C(=O)[C@@H](CC(=O)N[C@@H](CO)c3ccccc3)N=C2O)cc1 252537486 LIZPLNWXIPCZFS-MOPGFXCFSA-N 411.458 1.602 0 50 HDAA Cc1nc2c3c(F)cccc3nn2c(O)c1CCC(=O)NCCN1CCOCC1 252552430 USCBNLWXPXAJRB-UHFFFAOYSA-N 401.442 1.417 0 50 HDAA COC(=O)c1cnc(O)c([C@H](CC(N)=O)c2cc3cccc4c3n(c2=O)CC4)c1O 253623606 BBTRVLCQERYMAE-GFCCVEGCSA-N 409.398 1.158 0 50 HDAA biogenic Cn1ccnc1CCN1CCC(N2C[C@@H](COc3ccc(F)cc3)OCC2=O)CC1 299756019 AMGMXHICCYIJJT-FQEVSTJZSA-N 416.497 1.873 0 50 HDAA COC(=O)CCc1cncc(NC(=O)[C@@](C)(N)c2ccc(S(C)(=O)=O)cc2)c1 952878905 FFCLPHJMIQSHQU-IBGZPJMESA-N 405.476 1.403 0 50 HDAA CN1CCOC2(CCN(S(=O)(=O)c3ccc4c5c(cccc35)C(=O)N4)CC2)C1 1772805209 JQTOFCFNZKLPNZ-UHFFFAOYSA-N 401.488 1.891 0 50 HDAA CCCNC(=O)[C@@H]1C[C@@H](O)[C@H](NC(=O)CCc2nc(-c3ccccc3C)no2)C1 1875250102 XWXGSPDSHADEQL-USXIJHARSA-N 400.479 1.760 0 50 HDAA O=C(c1n[nH]cc1Cl)N1CCC2(CCc3c(O)nc(N4CCOCC4)nc32)CC1 1940194634 AJKAZAZSBOHDRQ-UHFFFAOYSA-N 418.885 1.516 0 50 HDAA CC(C)(CNC(=O)C[C@](C)(O)C(F)(F)F)CNC(=O)C[C@](C)(O)C(F)(F)F 2325726785 ZDDSBPLJCVLGRR-STQMWFEESA-N 410.355 1.652 0 50 HDAA CCO[C@@H]1C[C@H]2CN(C(=O)[C@H](C)n3cnc4c(N)ncnc43)Cc3cccnc3N2C1 2325757666 GNVZKMRIWLZMSX-CWRNSKLLSA-N 422.493 1.391 0 50 HDAA CCN1C[C@@H](C(=O)N2CCCC[C@@H](NC(=O)c3ccc(NC)cn3)C2)CCC1=O 2325864010 DGQXMRLNSGCUMB-DOTOQJQBSA-N 401.511 1.493 0 50 HDAA CN(c1ccc(C(=O)N2CCC[C@]23CCCN(C2CC2)C3=O)cc1)S(C)(=O)=O 2356163146 QOBVVXJUBQAZET-FQEVSTJZSA-N 405.520 1.842 0 50 HDAA COC(=O)c1cc(NS(=O)(=O)c2ccc(N(C)C)c(N)c2)cc(C(=O)OC)c1 4951699 FOZONXGJMCLWTN-UHFFFAOYSA-N 407.448 1.709 0 50 HDAA COC(=O)Cn1c(=O)c2c(nc3n([C@H](C)c4ccccc4)c(C)c(C)n23)n(C)c1=O 8706106 JMNYPDRYVDVCPS-CQSZACIVSA-N 409.446 1.549 0 50 HDAA O=C1CN(C(=O)c2ccccc2OC2CCN(C(=O)c3cccnc3)CC2)CCN1 12072713 LUCGSMICWUNMHK-UHFFFAOYSA-N 408.458 1.337 0 50 HDAA Cc1nonc1C(=O)N1CCC([C@@]2(C)NC(=O)N(Cc3ccsc3)C2=O)CC1 12099733 PKGQJAPJJHJCTC-GOSISDBHSA-N 403.464 1.802 0 50 HDAA O=C(c1ccccc1F)N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1 12389228 FNGFVKSUPFSKIT-UHFFFAOYSA-N 406.464 1.977 0 50 HDAA CC[C@@H](C(=O)N1CCC(C(N)=O)CC1)N(c1cccc(Cl)c1)S(C)(=O)=O 13712458 HNWZDWWILLBCHE-HNNXBMFYSA-N 401.916 1.609 0 50 HDAA COC(=O)[C@H]1CCCCN1C(=O)c1c(OC)cc(=O)n2c1CCN(CC(C)C)CC2 15003158 CJZOOYHTEHGWIE-QGZVFWFLSA-N 419.522 1.539 0 50 HDAA Cn1nnnc1SCCNCc1ccc(OC[C@H](O)CN2CCCCC2)cc1 15074971 KMJFDDSNMIYJNA-QGZVFWFLSA-N 406.556 1.318 0 50 HDAA CC(=O)OC(OC(C)=O)[C@@]12C=C[C@@H](O1)[C@H]1C(=O)N(c3cc(Cl)ccc3C)C(=O)[C@@H]12 16116034 CKCPYUOCXXQMIH-NLDJYOPPSA-N 419.817 1.914 0 50 HDAA O=C(NCc1cccc(N2CCCC2)c1)[C@H]1CCC(=O)N(CCN2CCOCC2)C1 20778098 MQNWFQIELPXHRU-FQEVSTJZSA-N 414.550 1.474 0 50 HDAA O=C1CCN(Cc2ccc(OC[C@@H](O)CN3CCc4ccccc4C3)cc2)CCN1 23231440 VRQWXJBCMOKRRQ-QFIPXVFZSA-N 409.530 1.807 0 50 HDAA CCNc1ncc(C(=O)N2CCC(N3CCC[C@H](C(=O)NC4CC4)C3)CC2)cn1 71771000 SCRYWJSVTSKYLD-HNNXBMFYSA-N 400.527 1.504 0 50 HDAA O=C([C@@H]1[C@@H]2C=C[C@@]3(CN(CCc4ccncc4)C(=O)[C@@H]13)O2)N1CCC(F)(F)CC1 77303763 XSLWGEGAVYVFBB-XLSPSMHOSA-N 403.429 1.664 0 50 HDAA CCN(Cc1nc(C)no1)C(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(Cc4cccnc4)C(=O)[C@@H]13)O2 77437145 IEMHLABCUZURPL-VZRKHXGSSA-N 409.446 1.104 0 50 HDAA COC(=O)C1=C(C(=O)OC)[C@]2([C@]34C=C[C@@H](C3)C(C(=O)OC)=C4C(=O)OC)C=C[C@H]1C2 101037969 AJJQXGUBIJIMLJ-IZAGQWFNSA-N 414.410 1.424 0 50 HDAA Cc1cc(N2CCN(C(=O)CC[C@]3(CCC(=O)O)CCC(=O)N3)CC2)cc(C)n1 219394012 HXWAADYBOCQOHS-NRFANRHFSA-N 402.495 1.641 0 50 HDAA C[C@H]1CN(Cc2ccc(C(=O)N3CCC[C@@H](CNS(C)(=O)=O)C3)cc2)C[C@@H](C)O1 229526252 XSGHRMILEDHQKS-SCTDSRPQSA-N 423.579 1.697 0 50 HDAA O=C(CN1CCN(c2ncccn2)CC1)NC1CCN(Cc2cccs2)CC1 827836058 XKLQUYPWFKOCTH-UHFFFAOYSA-N 400.552 1.441 0 50 HDAA COCCc1noc([C@H]2CCCCN2S(=O)(=O)c2ccsc2C(=O)O)n1 1506397088 MWYKAYKTNSAKNN-SNVBAGLBSA-N 401.466 1.934 0 50 HDAA CC[C@@]12C[C@H]3C[C@@](O)(C1)C[C@@](C(=O)NC1CCN(CC(=O)NC4CC4)CC1)(C3)C2 1506421699 UHPMIUIEUQXLHT-OVSDDOEQSA-N 403.567 1.957 0 50 HDAA COc1ccc([C@@H]2[C@@H](CO)OCCN2C(=O)CCc2c(C)nn(C)c2C)cc1OC 1529095875 XXQUZIJAWAOQCE-IFMALSPDSA-N 417.506 1.948 0 50 HDAA Cc1ncc2c(n1)[C@@]1(CCCN(C(=O)c3ccc(N4CC(=O)NC4=O)cc3)C1)CC2 1704298623 AMGUPLFDKKDQDL-QFIPXVFZSA-N 405.458 1.961 0 50 HDAA CCCC(=O)N[C@]1(C)CCOC2(CCN(C(=O)c3ccc(C)nc3O)CC2)[C@H]1O 1704310868 UYTCOWSCANWFSG-VQTJNVASSA-N 405.495 1.527 0 50 HDAA O=C(O)c1cc2c(nc1N1C[C@@H]3CN(Cc4ccns4)C[C@]3(CO)C1)CCC2 1772805965 SAWXFRKZUBFXJF-VBKZILBWSA-N 400.504 1.656 0 50 HDAA CCOc1ccc2nc(N3C[C@H](C(=O)NCCCn4ccnn4)CC3=O)sc2c1 1857728019 JWPCSDPVJPEGFW-CYBMUJFWSA-N 414.491 1.846 0 50 HDAA O=C(Nc1cnc2ccccn2c1=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 2100545489 SCPNDGDPUKDREH-INIZCTEOSA-N 416.434 1.625 0 50 HDAA OC[C@@H]1CCCN1C[C@@H]1CCCN1CCCN1CCC[C@H]1CN1CCC[C@@H]1CO 2325714029 NHBMCRSDVUFETA-CWBXHPNXSA-N 408.631 1.219 0 50 HDAA Cc1ccccc1OC[C@H](O)Cn1c(SCC(C)C)nc2c1c(=O)[nH]c(=O)n2C 625910 RZXWAQLDLVCYDJ-CQSZACIVSA-N 418.519 1.920 0 50 HDAA COC(=O)[C@@H](C)Sc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccccc1Cl 637669 UMFSGRUODCJBKX-SECBINFHSA-N 408.867 1.779 0 50 HDAA CCCS(=O)(=O)c1ncc(CN(C)CCn2ccnc2C)n1C[C@@H]1CCCO1 11935583 ALEQDBWXWSGWPK-SFHVURJKSA-N 409.556 1.883 0 50 HDAA COc1ccc(C(=O)N2CCN(c3ccc(-n4ccc(C)n4)nn3)CC2)cc1OC 13008900 AIBNKSAWFCQDAX-UHFFFAOYSA-N 408.462 1.950 0 50 HDAA c1coc([C@@H]2N=C3NCN(CCN4CCOCC4)CN3c3nc4ccccc4n32)c1 20101786 AUFDIERRBSOWTA-LJQANCHMSA-N 407.478 1.505 0 50 HDAA COCCCn1c(CN(C)C[C@H]2COCCO2)cnc1S(=O)(=O)C1CCCC1 20363483 KMMVHVCEWPPSBU-KRWDZBQOSA-N 415.556 1.483 0 50 HDAA CN(C)c1nccnc1NC[C@@H]1CN(CC2CCN(CC3CC3)CC2)C(=O)CO1 299756603 HXHORAZTGJPGJQ-GOSISDBHSA-N 402.543 1.304 0 50 HDAA Cc1ccc(C(=O)N2C[C@@H]3OC(=O)N([C@H]4CCN(C(=O)C5CCCC5)C4)[C@@H]3C2)cn1 952848107 BXBNNGBITBJKCH-OTWHNJEPSA-N 412.490 1.826 0 50 HDAA O=C(c1n[nH]c2c1CCC2)N1CCCN(C(=O)c2scc3c2OCCO3)CC1 1529110057 KGKYNXOOACYAIC-UHFFFAOYSA-N 402.476 1.719 0 50 HDAA O=S1(=O)C[C@H]2NCCN(Cc3cn(-c4ccccc4)nc3-c3ccncc3)[C@H]2C1 1615691382 DIXGQFRTUPNGKM-UXHICEINSA-N 409.515 1.505 0 50 HDAA CS(=O)(=O)N1C[C@@H]2CN(Cc3cnc(N)nc3)C[C@]2(CCc2ccccc2)C1 1772805496 MEXYBMZOGIWZAO-AZUAARDMSA-N 401.536 1.385 0 50 HDAA CC(C)c1cc(C(=O)N2CCC[C@]3(CCc4c(O)nc(N(C)C)nc43)C2)nc(=N)[nH]1 1857698806 JCGPCFGAWHDERY-NRFANRHFSA-N 411.510 1.694 0 50 HDAA CC1(C)CC[C@H](NC(=O)[C@H]2CN3CCN2CC3)[C@H](CNc2ncnn3cccc23)C1 1875328092 YCNNKELRFGKEEM-JENIJYKNSA-N 411.554 1.452 0 50 HDAA Cc1cc(O)cc(C(=O)N2CC3(CCOCC3)C[C@H]2CNC(=O)c2cncnc2)c1 1875358972 OXWXCXOBXXWALW-SFHVURJKSA-N 410.474 1.932 0 50 HDAA Cn1c(C(=O)N2CCC3(CC2)OCCc2c3[nH]c3ccccc23)cc(=O)n(C)c1=O 2356152289 XHSYSWRLOSEPOB-UHFFFAOYSA-N 408.458 1.270 0 50 HDAA CC1CCN(Cc2nnnn2CCCC(=O)NC[C@@H](C)Oc2cccnc2)CC1 12434616 UPOYOHZFMJYPEZ-QGZVFWFLSA-N 401.515 1.664 0 50 HDAA O=C(NC[C@H]1CCCO1)C1CCN(C2CCN(C(=O)Cc3cccnc3)CC2)CC1 12439412 LOXNJDAVZJAKEF-OAQYLSRUSA-N 414.550 1.622 0 50 HDAA Cc1ccc(NC(=O)C(=O)NCCN2CCN(C(=O)c3cccc(F)c3)CC2)cc1 19805352 TWFDBKDPOFIATQ-UHFFFAOYSA-N 412.465 1.647 0 50 HDAA CN(Cc1nc(-c2cccs2)no1)C(=O)[C@H]1CCCN(S(=O)(=O)N(C)C)C1 67602038 RSLWZGARPLYBEP-LBPRGKRZSA-N 413.525 1.275 0 50 HDAA Cc1cc(C(=O)N2CCC[C@H](CCC(=O)N(C)C3CCN(C)CC3)C2)cc(=O)[nH]1 95510582 SRGKNDYKPHRZAJ-QGZVFWFLSA-N 402.539 1.868 0 50 HDAA C[C@@]1(c2ccc(CNC(=O)CC3CCC4(CC3)OCCO4)cc2)NC(=O)NC1=O 788195164 AKUBDDKYCKSEAG-FQEVSTJZSA-N 401.463 1.681 0 50 HDAA CNC(=O)c1ccc(S(=O)(=O)N2CCN(c3cccc(OC)c3)C(=O)C2)cc1 1506399846 KCAJSXOZMDDERM-UHFFFAOYSA-N 403.460 1.092 0 50 HDAA COc1ccccc1C(=O)N1C[C@@H]2CN(C(=O)Cc3csc(C)n3)C[C@]2(CO)C1 1775978598 GADXWYTXVGKUGM-YCRPNKLZSA-N 415.515 1.596 0 50 HDAA CC[C@@H]1[C@H](C(=O)N2CCc3ccccc3C2)C[C@@H]2CN(Cc3ncc[nH]3)CC(=O)N21 1857704724 CSFHWLIMEBNPDM-VAMGGRTRSA-N 407.518 1.806 0 50 HDAA O=C(O)C[C@@H]1C[C@@H](NC(=O)CSCc2cn(-c3cccc(CO)c3)nn2)CCO1 1875353626 ADMXBSVMJDLGSX-YOEHRIQHSA-N 420.491 1.131 0 50 HDAA C=CC(=O)N[C@@H]1CN(C(=O)Cn2c(=O)oc3ccccc32)C[C@H]1c1ccc(OC)cc1 1875383476 WIGCZLMWJDJCAS-ZWKOTPCHSA-N 421.453 1.900 0 50 HDAA O=C(N[C@@H]1C[C@H](C(=O)NCCc2ccncc2)C[C@H]1O)c1cnc(O)c(Cl)c1 2100543378 RFLYFVMLEDYMJL-APHBMKBZSA-N 404.854 1.064 0 50 HDAA CN(C)[C@H](C(=O)N1CCCN(C(=O)[C@@H](c2cccnc2)N(C)C)CC1)c1cccnc1 2325744016 WDKMKBJEYIMTGY-OYRHEFFESA-N 424.549 1.443 0 50 HDAA Cc1ccc(C(=O)N2CCC[C@@H](C(=O)N3CCN(c4nnc(C)c(C)n4)CC3)C2)cc1 2325748809 VMRLETSNNGJUJJ-HXUWFJFHSA-N 422.533 1.998 0 50 HDAA O=C(O)c1ncsc1S(=O)(=O)N[C@H]1COc2ccc(Br)cc2C1 2325851593 DGBBZWUCEOSCJX-SECBINFHSA-N 419.278 1.886 0 50 HDAA O=C(NC[C@@H](CC1CCCC1)C(=O)O)C1CCN(c2cncc3nnnn23)CC1 2325852177 VEZOSZMMCJGYDA-OAHLLOKOSA-N 401.471 1.133 0 50 HDAA COc1ccc(NC(=O)NCc2ccc3c(c2)C(=O)N([C@@H]2CCC(=O)NC2=O)C3)cn1 2325887148 WDCHIXCEIGKHHX-MRXNPFEDSA-N 423.429 1.173 0 50 HDAA COc1ccc(N(CC(=O)N2CCOCC2)S(=O)(=O)c2ccc(F)cc2)cc1 812336 XOABFTLGRSDKQJ-UHFFFAOYSA-N 408.451 1.888 0 50 HDAA CN(Cc1n[nH]c(=O)[nH]1)Cc1ccccc1OC[C@H](O)CN1CCc2ccccc2C1 11814881 YRNHSJPOHBKAHI-HXUWFJFHSA-N 423.517 1.528 0 50 HDAA CC(C)C(=O)NCCc1nnc2n1CCN(C(=O)c1cc3ccccc3n1C)CC2 12079836 SDBKJGIILXRVPQ-UHFFFAOYSA-N 408.506 1.783 0 50 HDAA COC(=O)c1c(NC(=O)CN2CCN(c3ccccc3)CC2)sc(C(N)=O)c1C 17090703 XIVLBYADNWZMAM-UHFFFAOYSA-N 416.503 1.703 0 50 HDAA CC[C@@H]1C(=O)NCCN1Cc1cnc(S(C)(=O)=O)n1CCCc1ccccc1 55054675 DNOITDHWJPNLFG-GOSISDBHSA-N 404.536 1.630 0 50 HDAA COc1ccc(-c2cn3cc(C(=O)N4CCC[C@@H](CO)C4)nc3c(=O)n2C)c(F)c1 72424736 RIKJNUDFYQJPTR-CYBMUJFWSA-N 414.437 1.692 0 50 HDAA Cc1cc(NC(=O)CN2CCN(Cc3ccccc3N3CCO[C@H](C)C3)CC2)no1 241657682 PYJHDDRFMYYBHR-GOSISDBHSA-N 413.522 1.964 0 50 HDAA C[C@]12CC[C@@H]3[C@H](CC[C@]4(O)C[C@@H](O)CC[C@]34C(=O)O)[C@@]1(O)CC[C@H]2C1=CC(=O)OC1 253488124 XJIILRFVONGQOG-VUSXPVSZSA-N 420.502 1.784 0 50 HDAA O=C(OCc1ccccc1)N1CC(S(=O)(=O)N[C@@H](CO)Cc2ccc(F)cc2)C1 766861925 MNKSLMLJOYCJDI-GOSISDBHSA-N 422.478 1.670 0 50 HDAA CNC(=O)CN(CCN(C(C)C)C1CC1)S(=O)(=O)c1cc(C)c(OC)c(C)c1 1857527082 YLQDVQLYPNSQMA-UHFFFAOYSA-N 411.568 1.922 0 50 HDAA CC(C)CCn1c(-n2nc(CC(N)=O)nc2[C@@H]2CN(C)CCO2)nc2ccccc21 1857719227 HGTICNDEBWYVOD-KRWDZBQOSA-N 411.510 1.694 0 50 HDAA Cn1cncc1CN1CCOC[C@H]1CCNS(=O)(=O)c1ccc(F)cc1F 1857732597 XQIBJCJDUNEYTC-CQSZACIVSA-N 400.451 1.268 0 50 HDAA O=C(NCCCn1ccnn1)[C@@H]1CC(=O)N(c2nnc(Cc3ccccc3)s2)C1 1857739992 COKSFDOWCHWCIM-OAHLLOKOSA-N 411.491 1.280 0 50 HDAA COc1ccc(C(=O)NCc2cnc3c(c2)CN(C(=O)c2ccnn2C)CC3)cn1 1875243476 IMZCTKKMTPCNQC-UHFFFAOYSA-N 406.446 1.347 0 50 HDAA O=C(c1ccc(CO)cc1)N1CC[C@@]2(CCN(C(=O)c3cnc4[nH]cnc4c3)C2)C1 1875360444 HXMUYDHMIJLNQJ-JOCHJYFZSA-N 405.458 1.829 0 50 HDAA CCOC(=O)C1=C(C)N=c2s/c(=C\c3cnn(C)c3)c(=O)n2[C@@H]1c1ccccc1 1003080 AYYLKSPWNLDZCF-CFINBHSISA-N 408.483 1.532 0 50 HDAA CN1CCN(c2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2cccc3ccccc23)CC1 2429042 YSVXFXZYWCRMNK-UHFFFAOYSA-N 418.501 1.387 0 50 HDAA COc1cc(CC2(CCc3ccncc3)C(=O)NC(=O)NC2=O)cc(OC)c1OC 37868746 AJOIBORGOULAFQ-UHFFFAOYSA-N 413.430 1.635 0 50 HDAA Cc1cc(N2CCOCC2)nc(N2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)n1 82230299 LGYIHPVUSGCOIV-UHFFFAOYSA-N 420.517 1.994 0 50 HDAA CC(C)(CNC(=O)C[C@@H]1C(=O)NCCN1C/C=C/c1ccccc1)N1CCOCC1 95498019 GDSUQVRMVGVFOQ-AQDCRGGLSA-N 414.550 1.117 0 50 HDAA Cc1cc(F)ccc1N1C[C@]23C=C[C@H](O2)[C@@H](C(=O)N2C[C@@H]4CC[C@H](C2)[C@@H]4O)[C@H]3C1=O 102612894 PWIIIRYVNWKZSB-IQSQGDLJSA-N 412.461 1.650 0 50 HDAA COc1ccc(CN2C(=O)N[C@H](CC(=O)NC[C@H]3C[C@H]4C=C[C@H]3C4)C2=O)cc1OC 206251936 SPUFLTLJUWXBPT-QMCVQRASSA-N 413.474 1.843 0 50 HDAA COCCCn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 241897182 TWIWCTQTEOPKDJ-CABCVRRESA-N 424.546 1.802 0 50 HDAA O=C(Cn1cnc2ccccc2c1=O)N1CC[C@H](O)[C@](CO)(Cc2ccccc2)C1 1529182757 ZKZPLUMWXAKNND-NZQKXSOJSA-N 407.470 1.211 0 50 HDAA CCc1nccn1CCC(=O)N[C@H]1CCC[C@@H](CNC(=O)CN2CCOC2=O)C1 1857688302 BIWJUCVIPBCXMD-CVEARBPZSA-N 405.499 1.079 0 50 HDAA C[C@H](NC(=O)c1cc2c(s1)CCOC21CCN(C(=O)CN)CC1)C(F)(F)F 1857704784 FZHQVQJCFGOYMB-JTQLQIEISA-N 405.442 1.778 0 50 HDAA O=C1CN(Cc2ccncc2)CCCNC(=O)c2cc(Cl)ccc2OCCN1 1857711376 WFIMIYBIOAZHBG-UHFFFAOYSA-N 402.882 1.866 0 50 HDAA CCc1nc(=N)[nH]c(=N[C@@H](CNC(=O)c2cccc([S@](C)=O)c2)C2CCC2)[nH]1 1875335163 UUQFDOHXNMWGJC-HBIPHATFSA-N 402.524 1.016 0 50 HDAA N=c1nc([C@@H]2CCN(C(=O)c3cn(-c4cccc(Br)c4)nn3)C2)[nH][nH]1 1875353520 WAVZZQQDFWKYNG-SECBINFHSA-N 403.244 1.190 0 50 HDAA O=C1NC[C@H]2CC[C@H]1N2S(=O)(=O)c1c(Cl)nc2ccc(Br)cn12 2325818928 GZMRQTUGJKNXEU-RKDXNWHRSA-N 419.688 1.402 0 50 HDAA COc1ccn2ncc(C(=O)N3CCN(C(=O)[C@@H]4CC(C)(C)CO4)C[C@H]3C)c2c1 2325829485 KYUBCGPUXNJNGM-KDOFPFPSSA-N 400.479 1.831 0 50 HDAA NC(=O)CNC(=O)c1n[nH]cc1NC(=O)c1ccc2c(Br)cncc2c1 2325840746 OCAPUXQOSUXJSD-UHFFFAOYSA-N 417.223 1.188 0 50 HDAA Cc1ccc(CNc2nc3c(c(=O)[nH]c(=O)n3C)n2C[C@H](O)COC(C)C)cc1 850907 OAFKOWJKOKLNKP-HNNXBMFYSA-N 401.467 1.130 0 50 HDAA CCN1C(=O)N(CC(N)=O)C(=O)C12CCN(C/C=C/c1ccccc1OC)CC2 14731353 LVLDHAYTIXPSIT-SOFGYWHQSA-N 400.479 1.312 0 50 HDAA CC(C)[C@H]1NC(=O)[C@H]2CN(Cc3cnn(-c4cccc(Cl)c4)c3)CCN2C1=O 14744491 RECSQQVZSSEEBI-QZTJIDSGSA-N 401.898 1.693 0 50 HDAA O=C([C@@H]1CC(=O)N(c2n[nH]c3ccccc23)C1)N1CCN(CCc2ccccn2)CC1 169779916 QYICJEFAEIXAKP-QGZVFWFLSA-N 418.501 1.698 0 50 HDAA CC(=O)NCCc1ccc(C(=O)COC(=O)[C@@H]2CCCN2C(=O)C(F)(F)F)s1 786586093 UJEQPTBRRGXIIC-LBPRGKRZSA-N 420.409 1.706 0 50 HDAA COc1ccc([C@@H](O)C2CCN(C(=O)c3ccnc4c(C(N)=O)cnn34)CC2)cc1 812638483 SOEJFEGLKQOINW-GOSISDBHSA-N 409.446 1.423 0 50 HDAA FC(F)(F)[C@]1(c2nc(-c3ccccn3)no2)CCN(Cc2nnc3n2CCOC3)C1 952892365 GVORWQJKRVVLPG-QGZVFWFLSA-N 421.383 1.959 0 50 HDAA Cc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)Nc2ccc(Oc3nn[nH]n3)cc2)cc1 952985229 UFROQBDASUNEKH-SFHVURJKSA-N 421.461 1.630 0 50 HDAA CN1CCN(C(=O)[C@H]2CCCN(c3nc(O)c4cnn(-c5ccccc5)c4n3)C2)CC1 1875260677 JSCQOWPKTAAJSH-INIZCTEOSA-N 421.505 1.512 0 50 HDAA O=C(Cc1ccc(O)cc1)NCC(=O)N1CCN(c2nccc(C(F)(F)F)n2)CC1 1875260810 QASCKLJEKISPSR-UHFFFAOYSA-N 423.395 1.209 0 50 HDAA CNc1ccc(Cl)c(C(=O)NC[C@H](NC(=O)[C@H]2CNC(=O)N2)C2CCCC2)c1 2325861373 OEQKSGCZRFDRRT-JKSUJKDBSA-N 407.902 1.468 0 50 HDAA Cc1nn(C)c(C)c1CN(Cc1cnc(S(C)(=O)=O)n1C[C@@H]1CCCO1)C1CC1 11816864 ZSQFLNWBDBTKFC-SFHVURJKSA-N 421.567 1.981 0 50 HDAA O=C(C[C@@H]1SC(=O)NC1=O)Nc1ccc(NC(=O)C[C@H]2SC(=O)NC2=O)cc1 16711884 PYIMXIOUKFRAMV-AOOOYVTPSA-N 422.444 1.047 0 50 HDAA COC(=O)c1cccc(C(=O)N2CCC[C@H](CCC(=O)N3CCN(C)CC3)C2)c1 20534611 FUMLYXCLSPZXTM-QGZVFWFLSA-N 401.507 1.880 0 50 HDAA Cc1cnc(C(=O)N2CCC[C@@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)cn1 23359668 HRDJWTHTGXROOO-LJQANCHMSA-N 423.517 1.936 0 50 HDAA COCCn1c(CN(C)CC(=O)OC)cnc1S(=O)(=O)CC1CCCCC1 39404956 UTFZKGVWEYVDFO-UHFFFAOYSA-N 401.529 1.488 0 50 HDAA CCOC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)OCC)[C@H]1c1ccc(O)c(OCC)c1 244900079 ZVPURIHDZWQVOT-OOSNJVJTSA-N 408.447 1.957 0 50 HDAA CC(C)Cc1nc(CN2CCC[C@@H](n3ncc(N4CCC(O)CC4)cc3=O)C2)no1 328602201 ATCFVURNZXXSLI-MRXNPFEDSA-N 416.526 1.623 0 50 HDAA O=C1O[C@@H](c2ccccc2)Cc2cc(C(=O)N3CCO[C@@H](c4nn[nH]n4)C3)ccc21 732091596 KDHYVZDGVZTZIQ-QZTJIDSGSA-N 405.414 1.868 0 50 HDAA CCCNS(=O)(=O)c1ccc(C(=O)Nc2cccc(-n3nnnc3C)c2)cc1 952868892 ISBFEUQTEJNPCB-UHFFFAOYSA-N 400.464 1.911 0 50 HDAA Cn1ccc(N2CC[C@H](NC(=O)c3ccc(NC(=O)c4ccc(O)nc4)cc3)C2=O)n1 1875259209 VANGRCWMJPUYKD-INIZCTEOSA-N 420.429 1.308 0 50 HDAA CCOC(=O)C1=C(N)N2C(=O)[C@@H](C)SC2=C(C(=O)OC)[C@H]1c1cccc(OC)c1 1076533 OESLYPLYPBHMLP-MFKMUULPSA-N 418.471 1.874 0 50 HDAA Cn1c(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)nnc1-c1ccccc1 2877309 ABYVICZNIXZPGJ-UHFFFAOYSA-N 403.489 1.860 0 50 HDAA O=C(N[C@@H](Cc1ccccc1)C(=O)O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 3866378 XENOHQQBUGLBSQ-SFHVURJKSA-N 418.471 1.133 0 50 HDAA CCN1C(=O)C[C@@H](C(=O)OC)C12CCN(C(=O)c1ccc3c(c1)OCCO3)CC2 12041899 AKSPJKWHSXQDNB-HNNXBMFYSA-N 402.447 1.474 0 50 HDAA Cc1c(C(=O)N(CCO)C(C)C)sc2ncnc(N[C@H]3CCCCNC3=O)c12 12333878 PPNLHYLWSCTLEQ-ZDUSSCGKSA-N 405.524 1.923 0 50 HDAA COc1ccc(C(=O)NCCc2nnc(SCCN3CCOCC3)n2C)cc1 14993621 KZJSDAJCOGZKSX-UHFFFAOYSA-N 405.524 1.221 0 50 HDAA O=C1C[C@H](N2CCC(O)CC2)C(=O)N1c1ccc(I)cc1 19790718 FNIGLYYEKBAPPQ-ZDUSSCGKSA-N 400.216 1.380 0 50 HDAA COc1ccc(C(=O)NC(=S)N2CCN(C)CC2)cc1I 19860637 AFCLYQOVFCZMMZ-UHFFFAOYSA-N 419.288 1.562 0 50 HDAA CN(Cc1cnccn1)C(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(Cc4ccc(F)cc4)C(=O)[C@H]13)O2 77406631 YETZPOGYWFTUHL-OZIGNCPNSA-N 408.433 1.556 0 50 HDAA CS(=O)(=O)N1CCC(Oc2ccccc2C(=O)NCc2cccnc2N)CC1 95507394 FXIQEZAYKVDGSE-UHFFFAOYSA-N 404.492 1.397 0 50 HDAA CC[C@H](CCO)CNS(=O)(=O)C[C@H]1CN(C(=O)OCc2ccccc2)CCO1 253431932 YOHYPUVTFOLTKM-SJLPKXTDSA-N 414.524 1.352 0 50 HDAA O=C1CO[C@H](COc2ccc(F)cc2)CN1C1CCN(CCn2cncn2)CC1 299792616 FGSHAAOHOSCIAX-IBGZPJMESA-N 403.458 1.188 0 50 HDAA COc1cccc(C(=O)NC[C@H]2CN(CC3CCN(CC4CC4)CC3)C(=O)CO2)c1 299800936 WJCXLGXUZDJHLG-NRFANRHFSA-N 415.534 1.774 0 50 HDAA O=c1cc(N2CCOCC2)cnn1[C@@H]1CCCN(c2nccc(C(F)(F)F)n2)C1 328605046 MBURFLMTJLNKBF-CYBMUJFWSA-N 410.400 1.730 0 50 HDAA O=C(Nc1cccc(Oc2ccccn2)c1)C(=O)N1CCC[C@@H](n2cc(CO)nn2)C1 479724214 ZQMCKZFLQHZWEY-QGZVFWFLSA-N 422.445 1.760 0 50 HDAA Cc1ccc(S(=O)(=O)NCCCNC(=O)c2nc(N)nc3c2CCCC3)cc1 670454171 GNOYUGSVRLIFJT-UHFFFAOYSA-N 403.508 1.344 0 50 HDAA COc1ccnc(C(=O)NC[C@@H]2CCCN(CC(=O)NCc3cccs3)C2)c1 824835767 RRILSGCWMRIVPI-HNNXBMFYSA-N 402.520 1.910 0 50 HDAA O=C(Cn1ccc2ccc(F)cc21)N1CCCN(S(=O)(=O)N2CCCC2)CC1 888105487 DFFATLCRQSNLOW-UHFFFAOYSA-N 408.499 1.655 0 50 HDAA CN1C[C@H]2CN(c3cc4c(nn3)CCN(C(=O)[C@@H]3CCC[C@H](N(C)C)C3)C4)C[C@H]2C1 952890816 JHMHNCPXGCCJDB-LMCOJAPRSA-N 412.582 1.480 0 50 HDAA O=C(COc1ccccc1CN1C[C@H](Cc2cnccn2)[C@@H](O)C1)N1CCCCC1 1616075112 JGFYPMUMGVTVNZ-FPOVZHCZSA-N 410.518 1.903 0 50 HDAA CSCc1noc(CN2C[C@H]3CN(Cc4ccncc4Cl)C[C@]3(CO)C2)n1 1772804369 NLQYLKGVDZVDGM-RDTXWAMCSA-N 409.943 1.907 0 50 HDAA CNc1ncccc1C(=O)NC[C@@H]1CN(CC2CCN(CC3CC3)CC2)C(=O)CO1 1857666742 JXMKYGBKFDTKGQ-GOSISDBHSA-N 415.538 1.203 0 50 HDAA Cc1ccc(C(=O)NC[C@@H]2CN(CC3CCN(CC4CC4)CC3)C(=O)CO2)c(C)n1 1857681067 WSSSFHYISOACOO-HXUWFJFHSA-N 414.550 1.778 0 50 HDAA COc1ccc(C(=O)N[C@H]2CC[C@H](C(=O)NCCc3cnn[nH]3)C[C@@H]2OC)cc1 1857693592 CZTGSBAJIGFKKO-WBAXXEDZSA-N 401.467 1.086 0 50 HDAA CC(C)S(=O)(=O)Nc1cccc(C(=O)N2CCC[C@H]2Cn2cc(C(=O)O)nn2)c1 1875342747 FUGXBHXNJRJQDF-HNNXBMFYSA-N 421.479 1.431 0 50 HDAA C[C@@H]1CN(C(=O)[C@H]2CCC(=O)N2C)C[C@@H]1NC(=O)[C@@H]1CC[C@H](Cc2ccccc2)O1 2325872496 AFQLWDLMWQSPII-PKOFMYQESA-N 413.518 1.361 0 50 HDAA O=C1CC[C@@H](N2Cc3c(C(=O)N[C@H]4CNc5ccccc5C4)cccc3C2=O)C(=O)N1 2325896246 VAWDOGVANMUDGQ-AUUYWEPGSA-N 418.453 1.214 0 50 HDAA CCOC(=O)C1=C(N)N2C(=O)[C@H](C)SC2=C(C(=O)OC)[C@@H]1c1cccc(OC)c1 1076538 OESLYPLYPBHMLP-GXFFZTMASA-N 418.471 1.874 0 50 HDAA O=C([C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1)N1CCOCC1 2871250 YOCQFSSDTTVPLV-CYBMUJFWSA-N 417.325 1.709 0 50 HDAA CS(=O)(=O)N1CCC(C(=O)NCCCn2nc(C(F)(F)F)cc2C2CC2)CC1 6850029 OALNLFFRCJCRCB-UHFFFAOYSA-N 422.473 1.957 0 50 HDAA O=C(NC[C@@H]1CCC2(CCN(Cc3cccc(OCCO)c3)CC2)O1)[C@H]1CCCO1 12182976 LVPWTIMEPDYLOD-LEWJYISDSA-N 418.534 1.867 0 50 HDAA O=C(N[C@@H]1Cc2ccccc2N(C[C@@H](O)CO)C1=O)c1cc2cc(Cl)sc2[nH]1 13980680 UICNBXVDHCBKCE-TZMCWYRMSA-N 419.890 1.924 0 50 HDAA in-vitro COc1ccc(CN(C)Cc2nonc2C)c(OC[C@@H](O)CN2CCN(C)CC2)c1 19608725 FBBQHDMRDFKMHY-SFHVURJKSA-N 419.526 1.006 0 50 HDAA CCOC(=O)c1cc(C)nc2c1c(=O)n(CC(=O)Nc1cc(C)ccc1C)c(=O)n2C 20168552 AFCUMCYPOFHZKB-UHFFFAOYSA-N 424.457 1.836 0 50 HDAA O=C(Cn1c(=O)n(C2CCCCC2)c2ncc(C(=O)O)cc21)NC[C@H]1CCCO1 55120139 WUDHWQOIPCGGKK-OAHLLOKOSA-N 402.451 1.697 0 50 HDAA CC1CCN(S(=O)(=O)c2ccc(NC(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C(=O)O)cc2)CC1 225691588 FJSCWNGBMHLTEO-BDXSIMOUSA-N 422.503 1.924 0 50 HDAA OCCN1CCN(Cc2ccc3c(c2)CN(Cc2ccc(CO)o2)CCO3)CC1 299785571 KLRZYURNZUDPNR-UHFFFAOYSA-N 401.507 1.276 0 50 HDAA CCOCCn1nc(COc2cccc(F)c2)nc1-c1cc2n(n1)CCN(C)C2=O 1857678118 SRRBTRJGULCBAC-UHFFFAOYSA-N 414.441 1.982 0 50 HDAA COc1ccc(-n2cccn2)cc1S(=O)(=O)N1CCc2[nH]nc(C(=O)O)c2C1 1857678602 OYSLMXNPLXPMFA-UHFFFAOYSA-N 403.420 1.049 0 50 HDAA O=C(CCc1ccncc1)NC[C@H]1CN(CC2CCN(CC3CC3)CC2)C(=O)CO1 1857687319 QGCQHXGXZUMEHK-NRFANRHFSA-N 414.550 1.480 0 50 HDAA CCN(C)C(=O)[C@H]1C[C@H]2CN(C(=O)Cc3cc[nH]n3)CC(=O)N2[C@H]1c1ccccc1 1857731073 JOSGIWDUEOXNAV-WFXMLNOXSA-N 409.490 1.231 0 50 HDAA Cc1nc(O)c2c(n1)C1(CC2)CCN(C(=O)[C@H]2CC(=O)N(c3nccs3)C2)CC1 1857732863 KVEAZDNFKWVGMH-ZDUSSCGKSA-N 413.503 1.807 0 50 HDAA Cc1cccn2c(CC(=O)N3CCc4ncc(CNS(C)(=O)=O)cc4C3)cnc12 1875250034 SJRYHNPYFFQORG-UHFFFAOYSA-N 413.503 1.214 0 50 HDAA NC(=O)[C@H]1CCCN(Cc2cccc(NC(=O)CCn3nc4ccccn4c3=O)c2)C1 1875257409 VJIVQUQTZGHJCR-KRWDZBQOSA-N 422.489 1.222 0 50 HDAA Cc1ccc(NS(=O)(=O)CCNC(=O)N=c2ccn(-c3ncccn3)[nH]2)cc1F 2325852521 JQHCHHDQTVUKIS-UHFFFAOYSA-N 419.442 1.095 0 50 HDAA CNC(=O)c1cnc(NC(=O)[C@H](C)NC(=O)c2cc(OC)c(OC)c(OC)c2)s1 2325854673 PEPYLBWPTLCGPZ-VIFPVBQESA-N 422.463 1.286 0 50 HDAA CCN1C[C@H](C(=O)N2CCCC[C@@H](NC(=O)c3c(N)cccc3F)C2)CCC1=O 2325864145 HRHHAQFWZUDQJF-HUUCEWRRSA-N 404.486 1.777 0 50 HDAA O=C(c1cccs1)[C@H]1CCCN(C(=O)c2cn(CCN3CCOCC3)nn2)C1 77002448 XZAGXLYTKGHPRO-HNNXBMFYSA-N 403.508 1.407 0 50 HDAA COc1cc(C(=O)NCCc2nccn2C)ccc1OC1CCN(C(C)=O)CC1 95512147 OQKXCAHGRDVGHU-UHFFFAOYSA-N 400.479 1.791 0 50 HDAA CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)N[C@H]1CCN(c2c(F)cccc2F)C1=O 170596629 JKCGZYJOKNSZSX-RYUDHWBXSA-N 407.339 1.889 0 50 HDAA COc1ccccc1N1CCN2c3ccc(N)cc3C[C@]3(C(=O)N=C(O)N=C3O)[C@H]2C1 245328643 VWFMULWSTFXDDN-GOSISDBHSA-N 421.457 1.926 0 50 HDAA O=C(c1nnn2c1CO[C@@H](c1ccc(F)cc1)C2)N1CCN(c2ncccn2)CC1 263615173 AZQRHJDBYLZVHT-QGZVFWFLSA-N 409.425 1.441 0 50 HDAA NC(=O)[C@@H]1CCCN1C1CCN(c2ccc(C(=O)NCc3cccnc3)cc2)CC1 299758513 LZUQDVGPOTWQDK-NRFANRHFSA-N 407.518 1.930 0 50 HDAA COC(=O)c1coc(S(=O)(=O)N2CCC[C@@H](c3n[nH]cc3C(=O)N(C)C)C2)c1 328602093 ABSDVIUGWWHHCJ-LLVKDONJSA-N 410.452 1.059 0 50 HDAA C[C@H](N[C@H]1C[C@@H](C)N(c2ccccc2)C1=O)c1ccc(S(=O)(=O)CC(N)=O)cc1 820821857 GFYNBKAAFUERGR-VCBZYWHSSA-N 415.515 1.790 0 50 HDAA O=C(CCN1CCCCCC1=O)Nc1ccc(OCC(=O)N2CCOCC2)cc1 952977521 XURPHXMWENCDMK-UHFFFAOYSA-N 403.479 1.655 0 50 HDAA O=c1c(CN2CC[C@H](N3CCN(c4ccccn4)CC3)[C@@H](O)C2)coc2ccccc12 1614344055 SPUOWEDRHKXABS-SFTDATJTSA-N 420.513 1.945 0 50 HDAA O=C(Cn1ccccc1=O)N1CCO[C@@H](CN2CCC(O)CC2)[C@@H]1c1ccccc1 1857734297 HSEJLWJCBVHPHK-REWPJTCUSA-N 411.502 1.274 0 50 HDAA OC[C@@H](Cn1cnc2c(N3CC[C@@H](O)[C@H](C4CCCC4)C3)ncnc21)[C@@H]1CCOC1 1875269226 NVSDETRRKMZZMN-AKHDSKFASA-N 415.538 1.849 0 50 HDAA COC[C@@H](C(=O)N1CCCC[C@@H]1c1cn(-c2ccc(C(=O)O)cc2)nn1)N(C)C 1875355497 LMSFDRYXEDHTGF-MSOLQXFVSA-N 401.467 1.596 0 50 HDAA CC[C@](C)(CN=c1cc(NC[C@@](C)(CC)N2CCOCC2)nc[nH]1)N1CCOCC1 2325740691 APZFNVBGZKVZGF-FGZHOGPDSA-N 420.602 1.724 0 50 HDAA Cc1nnc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)s1 1063248 YMZLHTNOUZRJAN-UHFFFAOYSA-N 402.885 1.773 0 50 HDAA O=C(NC[C@H]1CCC2(CCN(Cc3cccc(OCCO)c3)CC2)O1)[C@@H]1CCCO1 12182973 LVPWTIMEPDYLOD-RTWAWAEBSA-N 418.534 1.867 0 50 HDAA COCCC(=O)N[C@@H](C)c1nnc2n1CCN(Cc1ccc(O)c(OC)c1)CC2 12209939 FYUGFYHDZZGEMI-AWEZNQCLSA-N 403.483 1.264 0 50 HDAA Cc1cnc(CNC(=O)C[C@H]2C(=O)NCCN2Cc2cccc3ccccc23)cn1 12713951 QERJKRCZECBQEY-NRFANRHFSA-N 403.486 1.945 0 50 HDAA COc1ccc(N(C[C@H](O)CN2CCOCC2)S(=O)(=O)c2ccccc2)cc1 19791194 XJYXLBPNVBEDSW-GOSISDBHSA-N 406.504 1.584 0 50 HDAA CN(CCN1CCOCC1)Cc1ccccc1OC[C@@H](O)CN1CCSCC1 20406386 VWOLCJHMZQKSQC-FQEVSTJZSA-N 409.596 1.239 0 50 HDAA Cc1ccc(CN2CCN(Cc3cnc(N4CCOCC4)s3)C[C@H]2CCO)o1 36385742 ULXMDBMKRHHDBT-QGZVFWFLSA-N 406.552 1.950 0 50 HDAA O=C(Nc1ccc(F)cc1F)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 38528101 HBRUFZXZOUITRR-UHFFFAOYSA-N 404.421 1.946 0 50 HDAA CCn1cnnc1CN(C)C(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(C4CCCCCC4)C(=O)[C@H]13)O2 77521647 XQGYFMXDJJNPHI-ZBPHCFQXSA-N 413.522 1.761 0 50 HDAA O=C(CN1CCC(N2C[C@H](COc3ccc(F)cc3)OCC2=O)CC1)NC1CC1 299782117 FMNTUEUZMCCVBL-LJQANCHMSA-N 405.470 1.175 0 50 HDAA COc1cccc([C@@H]2C[C@@H](O)CN2C(=O)CCN2C(=O)[C@H]3CCCC[C@H]3C2=O)c1 328589407 QLFUTNLKCGQYQJ-YSHGAJCASA-N 400.475 1.895 0 50 HDAA CNC(=O)Cn1cc(NC(=O)C2(c3ccc(S(C)(=O)=O)cc3)CCCCC2)cn1 1506396219 DIPAIAABHXOBLU-UHFFFAOYSA-N 418.519 1.873 0 50 HDAA CSc1ccccc1C(=O)N1C[C@H]2CN(C(=O)CCc3cn[nH]c3)C[C@]2(CO)C1 1772705946 OMPPVJFXFGJRRB-IIBYNOLFSA-N 414.531 1.657 0 50 HDAA O=C(c1cncc(=O)[nH]1)N1CCC[C@]2(CCc3c(O)nc(-c4cccnc4)nc32)C1 1857696377 XUUNOQRRQMQZHU-NRFANRHFSA-N 404.430 1.448 0 50 HDAA CNC(=O)CN(CCN1CCCC(C)(C)C1)S(=O)(=O)c1cccc2c1OCC2 1875303735 LAFIPJQCRNJTBL-UHFFFAOYSA-N 409.552 1.480 0 50 HDAA O=C1CC[C@@H](N2Cc3ccc(-n4cc(C5(O)CCCCC5)nn4)cc3C2=O)C(=O)N1 1875357017 YAWWJIBHLZGLAK-MRXNPFEDSA-N 409.446 1.180 0 50 HDAA C[C@@H](c1ccccc1)N1C[C@H](C(=O)NS(=O)(=O)c2ncn(C)c2Cl)CC1=O 2325819600 KJXIRNBZMXBBJB-WCQYABFASA-N 410.883 1.488 0 50 HDAA COC(=O)c1nc(N2CCN(c3ccc4nncn4n3)[C@H](C)C2)c2sccc2n1 2325863862 ZMSRZAHUWPASHC-LLVKDONJSA-N 410.463 1.631 0 50 HDAA Cc1cnnc(-c2ccc(C(=O)N3C[C@H]4[C@@H](N(C)C)CS(=O)(=O)[C@H]4C3)cc2)c1C 2356138007 DYCJPTZJKROEAU-FHWLQOOXSA-N 414.531 1.560 0 50 HDAA CCC[C@@]1(C(=O)O)CN(C(=O)CN2CCN(c3cccc(C)c3)CC2)CC[C@H]1O 2356144112 JQLHQJJPNLGHAM-DENIHFKCSA-N 403.523 1.581 0 50 HDAA NS(=O)(=O)c1ccc(CCN[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 4679915 PQMKEUWLXYVFCS-INIZCTEOSA-N 407.879 1.452 0 50 HDAA COc1ccc(C[C@@H]2NC(=O)[C@H]3CN(C(=O)c4ccc(OC)cc4)CCN3C2=O)cc1 14731454 OKTCKMZTJBSBSU-VQTJNVASSA-N 423.469 1.098 0 50 HDAA biogenic C[C@@H](NC(=O)[C@H]1COc2ccccc2O1)C(=O)N1CCN(Cc2ccccc2)CC1 67630340 RVMUKSKGGZWKAY-DYESRHJHSA-N 409.486 1.676 0 50 HDAA Cc1ccc(S(=O)(=O)NCCNc2cc(N3CCOCC3)nc(C)n2)c(C)c1 82230206 QIJVUDPIRXCQAF-UHFFFAOYSA-N 405.524 1.629 0 50 HDAA CSCC[C@@H](CO)NC(=O)C[C@H]1N=C(O)N(CCc2c[nH]c3ccccc23)C1=O 252532969 FOWQENSLMGZHNR-WMLDXEAASA-N 418.519 1.456 0 50 HDAA CC[C@H](C)[C@H](CO)NC(=O)CC[C@@H]1N=C(O)N(CCc2ccc(OC)cc2)C1=O 252536986 KBJZBAUKNHDOPE-WBAXXEDZSA-N 405.495 1.666 0 50 HDAA C[C@H](C(=O)NCc1ccc(Cn2ccnc2)cc1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 252680121 WDSIWXDFUUIQOU-NTDXCCSUSA-N 408.458 1.099 0 50 HDAA O=C(N[C@@H]1CN[C@H](C(=O)O)C1)c1cccn(Cc2c(Cl)cccc2Cl)c1=O 426414313 IWDINBZSROICKU-BONVTDFDSA-N 410.257 1.748 0 50 HDAA CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(S(=O)(=O)NC)cc2)cn1 678792927 UWSOGCVTSXRYCM-UHFFFAOYSA-N 419.507 1.091 0 50 HDAA CN(C)S(=O)(=O)Nc1ccc(S(=O)(=O)N(C)CC[C@@H]2CCCCO2)cc1 952987947 OYDDSJTYHOQDTL-HNNXBMFYSA-N 405.542 1.485 0 50 HDAA O=C(c1cncc(N2CCN(c3nnc(C(F)(F)F)s3)CC2)n1)N1CCCC1 1148350252 HTOIQNHVXGSLFA-UHFFFAOYSA-N 413.429 1.910 0 50 HDAA O=C(c1cc2c(nc1O)CCC2)N1CCCN(S(=O)(=O)N2CCCCC2)CC1 1506396208 IWMPYZBXUBTXON-UHFFFAOYSA-N 408.524 1.155 0 50 HDAA COCC(=O)N1CC[C@@]2(O)CCN(Cc3[nH]c4ccc(OC)cc4c3C)C[C@H]2C1 1565530143 KTOCZKDIDFIZAO-AOMKIAJQSA-N 401.507 1.917 0 50 HDAA O=C1CO[C@]2(CCN(C(=O)C3CCN(C(=O)c4ccc(Cl)cc4)CC3)C2)CN1 1772810102 IXFNUIULNHLMRM-HXUWFJFHSA-N 405.882 1.310 0 50 HDAA CC(C)CNC(=O)CN1C[C@@H]2[C@H](CNC(=O)c3cnn(C(C)C)c3)[C@H]3CC[C@]2(C1)O3 1857731387 GBTJZEORPDLHRT-JZJXAQOMSA-N 417.554 1.445 0 50 HDAA Cc1nc(CC(=O)NCc2cnc3c(c2)CN(C(=O)[C@H]2CCCO2)CC3)cs1 1875249888 IALIXCGSJWHTJM-GOSISDBHSA-N 400.504 1.769 0 50 HDAA O=C(N=c1nc[nH]n1-c1ncccn1)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 1875315865 KHBXEZBOHQWNLP-CQSZACIVSA-N 411.853 1.624 0 50 HDAA Cc1nc(N(C)C)sc1C(=O)N[C@@H]1CCN(C(=O)Cc2nncs2)C[C@@H]1C 1875361790 BQSSBYKJUMTJIF-CMPLNLGQSA-N 408.553 1.579 0 50 HDAA CC(CN1CCC(N2CCO[C@@H](C)C2)CC1)CN1CCC(N2CCO[C@@H](C)C2)CC1 2325733830 ZWNQVGVQIKMVKX-VXKWHMMOSA-N 422.658 1.993 0 50 HDAA O=C1Nc2nc3ccccc3n2C[C@H]1CC(=O)N1CCN(C(=O)c2ccoc2)CC1 2325826948 QQZSEYZNQNRDFM-OAHLLOKOSA-N 407.430 1.572 0 50 HDAA O=C1CC[C@@H](N2Cc3ccc(CNC(=O)c4cc5c(s4)CCC5)cc3C2=O)C(=O)N1 2325887224 YNKGXERJDSYSHU-MRXNPFEDSA-N 423.494 1.928 0 50 HDAA CCN1CCC[C@H](CN(C)Cc2cnc(S(=O)(=O)CC3CC3)n2CCOC)C1 12305955 JGSACCBUUSFAQY-GOSISDBHSA-N 412.600 1.877 0 50 HDAA COc1cc(CNCCCn2cccn2)ccc1OC[C@H](O)CN1CCSCC1 15068751 IVVMGUDHSZOIQE-LJQANCHMSA-N 420.579 1.860 0 50 HDAA CN1CCC(Oc2ccc(NC(=O)[C@@H]3CCCN(S(=O)(=O)N(C)C)C3)cc2)CC1 67629574 HCFUJVFCAMMVAG-MRXNPFEDSA-N 424.567 1.617 0 50 HDAA CN(C)S(=O)(=O)N1CCC(Oc2ccc(C(=O)N3C[C@H]4CC[C@H]3C4)cc2)CC1 100917981 AHQPFGVMHJJOQX-RDJZCZTQSA-N 407.536 1.961 0 50 HDAA O=C(CC[C@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O)NCC1CCOCC1 206242410 CCYDNMVJVOXDFC-LJQANCHMSA-N 412.490 1.954 0 50 HDAA Cc1cnccc1N1CCCN(C(=O)CC[C@@]2(CCC(=O)O)CCC(=O)N2)CC1 222346967 JRPHLBBRRLZIMA-OAQYLSRUSA-N 402.495 1.723 0 50 HDAA C[C@@H]1C[C@@H](C(=O)NC[C@H]2Cc3cc(Cl)cc(-c4ncccn4)c3O2)NC(=S)N1 299756625 GCWJDNUAZCGYNP-YVLXSGLVSA-N 417.922 1.842 0 50 HDAA Cc1cc(NC(=O)[C@@H](C)N2CCC[C@H](c3n[nH]cc3C(=O)N3CCOCC3)C2)on1 328602974 DNVGPUYFELMBTK-CABCVRRESA-N 416.482 1.385 0 50 HDAA COc1ccc(C(=O)N2CCC[C@@H](n3ncc(N4CC[C@H](O)C4)cc3=O)C2)c(C)c1 328604020 ICTBLWDPOZOJCB-AEFFLSMTSA-N 412.490 1.609 0 50 HDAA CCCS(=O)(=O)N1CCOC2(CCN(C(=O)c3ccc(Cl)cn3)CC2)C1 822992413 BSMFLWOAIMVFNJ-UHFFFAOYSA-N 401.916 1.782 0 50 HDAA COc1cccc(N2CCC(N[C@@H]3C[C@H]4CO[C@@H](CC(=O)N(C)C)CN4C3)CC2)c1 1857694883 LCYYOUPLUVHBEP-CBQOVEMMSA-N 416.566 1.574 0 50 HDAA CCCO[C@@H]1CC[C@H](C(=O)N2CCCN(C)CC2)C[C@H]1NC(=O)c1cccnc1 1857699838 ZUIBMIDBGFQFST-DFQSSKMNSA-N 402.539 1.939 0 50 HDAA COc1cccc(-c2nccn2C[C@H]2CC(=O)N(C)C2)c1OCCN1CCOCC1 1857701505 LYFFEPWNDAVUCR-KRWDZBQOSA-N 414.506 1.748 0 50 HDAA COc1ccc(S(=O)(=O)N2CC(N=c3cc(C)nc(C(F)(F)F)[nH]3)C2)cc1 1875319395 ARIGYXDNCASRAQ-UHFFFAOYSA-N 402.398 1.719 0 50 HDAA CO[C@@H](C)[C@H](NC(=O)c1cncc(F)c1)c1cn(-c2cncc(C(=O)O)c2)nn1 1875324906 NORFANPJLZZOCS-QFYYESIMSA-N 400.370 1.401 0 50 HDAA O=C(N[C@H]1CC[C@H](C(=O)O)CC1)[C@@H]1[C@@H]2C(=O)N(Cc3ccccc3)C[C@]23C=C[C@H]1O3 2100545378 RPSAYYATZNGIAG-JEPNLIRKSA-N 410.470 1.728 0 50 HDAA CCOC(=O)c1c(NC(=O)COC(=O)[C@H]2CCC2(F)F)sc(C(N)=O)c1C 2325737222 CVEQBFMERYQEQI-MRVPVSSYSA-N 404.391 1.859 0 50 HDAA COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(C(N)=O)cc2)cc1Cl 1062958 LMFNPUILHHIOHZ-UHFFFAOYSA-N 411.867 1.707 0 50 HDAA CCn1cc(/C=c2\sc3n(c2=O)[C@H]2c4ccccc4O[C@@](C)(N=3)[C@H]2C(C)=O)cn1 6490298 SOPKFEYMKYRCRK-ZLMUJGAUSA-N 408.483 1.491 0 50 HDAA COc1ccc(CN2CCCN(C=O)CC2)cc1OC[C@@H](O)CN1CCCCC1 12051258 AWQYFUHXSSOWOY-FQEVSTJZSA-N 405.539 1.585 0 50 HDAA O=S(=O)(c1ccc(F)c(F)c1)N1CCN(c2cc(N3CCCC3)ncn2)CC1 72115591 GBIVQBIGPUDJKP-UHFFFAOYSA-N 409.462 1.866 0 50 HDAA CCc1nc(CN(C)C(=O)[C@H]2[C@@H]3C=C[C@@]4(CN(c5ccc(F)cc5)C(=O)[C@H]24)O3)no1 77287225 BYODNKOUCPNJKY-YRFFXBIPSA-N 412.421 1.716 0 50 HDAA CS(=O)(=O)c1nnc(CN(c2nccs2)S(=O)(=O)c2ccccc2)s1 170605556 JFFGULUHGYUOBQ-UHFFFAOYSA-N 416.531 1.794 0 50 HDAA O=C(CC[C@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O)NCC1CCOCC1 206246799 JSYPSXGBTGHNCD-OAHLLOKOSA-N 403.435 1.159 0 50 HDAA O=C(NCc1cnc(Cl)s1)C1CCN(S(=O)(=O)c2cccnc2)CC1 241144933 JUDGELLAJDSXMH-UHFFFAOYSA-N 400.913 1.909 0 50 HDAA COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)[C@@H]2CS[C@]3(C)CCC(=O)N23)c1C 248304007 LNEXJLVIWGGFKY-SYTFOFBDSA-N 408.476 1.987 0 50 HDAA CC[C@@H]1CC[C@H](C(=O)NC[C@H]2CN(S(=O)(=O)c3ccccc3)[C@H]3CCN2C3)O1 299754298 NCPPDDMLDMKOLQ-IMBTUZDBSA-N 407.536 1.208 0 50 HDAA COc1ccc(C(=O)NC[C@@H]2CN(CC3CCN(CC4CC4)CC3)C(=O)CO2)cn1 299771643 RSAXEDZOGVXQJC-LJQANCHMSA-N 416.522 1.169 0 50 HDAA O=C(NC[C@H]1CN(CC2CCN(CC3CC3)CC2)C(=O)CO1)c1ccc(O)cc1 299791536 GOPAOQOGDLWTLZ-FQEVSTJZSA-N 401.507 1.471 0 50 HDAA CCc1ocnc1C(=O)NC[C@H]1CN(CC2CCN(CC3CC3)CC2)C(=O)CO1 299799116 PRDXILLLLMAPFR-KRWDZBQOSA-N 404.511 1.316 0 50 HDAA Cc1cc([C@H](C(=O)O)N2CCCN(S(=O)(=O)N3CCCCC3)CC2)ccc1F 1529158779 LLVGFJGPFXSXIJ-GOSISDBHSA-N 413.515 1.998 0 50 HDAA COc1ccc([C@@H](CC(=O)NCCCN(C)C)c2c(O)n3ccccc3nc2=O)cc1 1776111796 QNADMIRYSDFNSS-GOSISDBHSA-N 424.501 1.999 0 50 HDAA NC(=O)CN1[C@H]2CC[C@@H]1[C@@H]1CN(C(=O)CCc3nc(-c4ccccc4F)no3)C[C@@H]12 1857679434 LPWHGUNFOAJDFS-MDBPOYHNSA-N 413.453 1.215 0 50 HDAA CSCC(=O)N1C[C@@H]2CN(C(=O)c3ccccc3-c3ncc[nH]3)C[C@]2(CO)C1 1857698947 OMWVTEMLFRFPFY-VLIAUNLRSA-N 400.504 1.333 0 50 HDAA CCCc1nnc(N2C[C@H](C(=O)N3CCC(c4cc[nH]c(=N)n4)CC3)CC2=O)s1 1857713290 SVBITDJWSROGBR-CYBMUJFWSA-N 415.523 1.452 0 50 HDAA CCOc1ccc2nc(N3C[C@@H](C(=O)NC4(C(N)=O)CCCC4)CC3=O)sc2c1 1857730068 XTMPYLDHGRFWFH-LBPRGKRZSA-N 416.503 1.962 0 50 HDAA NC(=O)c1ccc(-c2nc([C@@H]3CCn4nccc4C3)n(CCc3cnc[nH]3)n2)cc1 1857734780 RHQXFKZUIYMTFB-MRXNPFEDSA-N 402.462 1.936 0 50 HDAA CC(=O)Nc1nc(C(=O)N[C@@H]2CN(C(=O)c3nc(O)c(C)s3)CC2(C)C)cs1 1875336553 BOFRCCAQKAZDMC-LLVKDONJSA-N 423.520 1.853 0 50 HDAA COc1ccc(NC(=O)CN(c2ccc3c(c2)OCO3)S(C)(=O)=O)cc1OC 1110644 YLZIWBJXMQWZHG-UHFFFAOYSA-N 408.432 1.837 0 50 HDAA COc1ccc(CNC(=O)Cn2cc(I)cn2)cc1OC 4721578 CKOVNAWSXPNLMZ-UHFFFAOYSA-N 401.204 1.821 0 50 HDAA CCN1CCC[C@H]1CNC(=O)CCC1CCN(C(=O)CCC2=NNC(=O)CC2)CC1 12304307 XCCCKENXULKAMZ-IBGZPJMESA-N 419.570 1.652 0 50 HDAA O[C@H](COc1cccc(CNCCCOc2cccnc2)c1)CN1CCOCC1 12432160 IKUBJFQVOGEVDV-FQEVSTJZSA-N 401.507 1.712 0 50 HDAA CCN(CC)C(=O)Cn1cc(C(=O)N2CCCC[C@@H]2CCN2CCCC2=O)nn1 12761737 ONRHBSAMOKOMRA-MRXNPFEDSA-N 404.515 1.154 0 50 HDAA CCC[C@@H]1NC(=O)[C@H]2CN(Cc3cnn(-c4cccc(Cl)c4)c3)CCN2C1=O 14530464 VNFOYLJLCAOKGT-ZWKOTPCHSA-N 401.898 1.837 0 50 HDAA COCc1ccc(CN2CCC3(CC2)C(=O)N(CC(N)=O)C(=O)N3CCC(C)C)o1 14741920 IOSQYXXBRIJTKR-UHFFFAOYSA-N 420.510 1.556 0 50 HDAA COc1cc(CNCCc2cn[nH]c2)ccc1OC[C@@H](O)CN1CCSCC1 15071875 XVPWSMMHYUFCDM-SFHVURJKSA-N 406.552 1.539 0 50 HDAA S=C(S[C@@H]1OCCO[C@@H]1SC(=S)N1CCOCC1)N1CCOCC1 18269589 YPTGGDDCEIJRSA-TXEJJXNPSA-N 410.608 1.386 0 50 HDAA CCc1ccccc1NC(=O)Cn1c(=O)c2c(C(=O)OC)cc(C)nc2n(C)c1=O 20213581 ZMTZAIDIDVUSNI-UHFFFAOYSA-N 410.430 1.391 0 50 HDAA O=C1CC[C@H](C(=O)N2CCC(Cn3ccnc3)CC2)CN1CCCN1CCOCC1 20256528 TUUZSCVFVAXITG-FQEVSTJZSA-N 417.554 1.083 0 50 HDAA O=C(C[C@@H]1C(=O)NCCN1Cc1ccc(Cl)c(F)c1)NCCc1cccnc1 55198276 LMBPKMISDMTEMY-GOSISDBHSA-N 404.873 1.924 0 50 HDAA CN1CCN(C(=O)[C@@H]2CCCN(C3CCN(C(=O)c4cscn4)CC3)C2)CC1 71760933 OCAPBKHWXBUIFX-MRXNPFEDSA-N 405.568 1.234 0 50 HDAA O=C(c1cncc(N2CC[C@H](N3CCOCC3)[C@H](CCCO)C2)n1)N1CCCC1 95368315 AGCDJBPXWNGZSZ-MJGOQNOKSA-N 403.527 1.012 0 50 HDAA Cc1cc2c(N3CCC[C@H](n4ncc(N5CC[C@H](O)C5)cc4=O)C3)ncnc2s1 328606392 RJAPTOQYLAUKIX-HOCLYGCPSA-N 412.519 1.969 0 50 HDAA O=C1NC(=O)[C@@]2(CCCN(C(=O)c3ccc4c(c3)C[C@@H](c3ccccc3)OC4=O)C2)N1 790235544 SCYBRQDGQYHFFR-MBSDFSHPSA-N 419.437 1.955 0 50 HDAA Cn1c(=O)oc2ccc(S(=O)(=O)N3CCC[C@H](OCc4ccccn4)C3)cc21 952976157 VBBLFTAUCUXWTR-HNNXBMFYSA-N 403.460 1.896 0 50 HDAA Cc1ccc2oc(=O)n(CCC(=O)N3CCN(c4ncccc4C(N)=O)CC3)c2c1 952976236 VEJSSRBIBIJTSB-UHFFFAOYSA-N 409.446 1.136 0 50 HDAA Cc1cc(C)cc(CSCC(=O)N2C[C@H](O)[C@H](CS(=O)(=O)N(C)C)C2)c1 1529187602 VYGVCOFEJCYSLJ-IRXDYDNUSA-N 400.566 1.247 0 50 HDAA Cc1cc(CN2C[C@H]3CN(CCS(=O)(=O)c4ccccc4)C[C@]3(CO)C2)on1 1772803912 AKAVKGBSHZTGJZ-YLJYHZDGSA-N 405.520 1.183 0 50 HDAA Cc1cc(C(=O)N2C[C@H]3CN(Cc4nccs4)C[C@]3(CO)C2)c2c(C)noc2n1 1772808341 NOHMHZKLUKGBDD-JLTOFOAXSA-N 413.503 1.863 0 50 HDAA CCn1nc(C)cc1C(=O)NC[C@@H]1CN(CC2CCN(CC3CC3)CC2)C(=O)CO1 1857682437 KHFZVBWUZFJOGC-LJQANCHMSA-N 417.554 1.291 0 50 HDAA CN(CC(=O)N1C[C@@H](C[C@H]2COCC(=O)N2)c2ccccc21)C(=O)c1ccccc1 2325725946 BOHHDTCUEZQPBT-MSOLQXFVSA-N 407.470 1.794 0 50 HDAA CN(CC(=O)N1C[C@@H](C[C@@H]2COCC(=O)N2)c2ccccc21)C(=O)c1ccccc1 2325725947 BOHHDTCUEZQPBT-QZTJIDSGSA-N 407.470 1.794 0 50 HDAA FC(F)c1nc2ccccc2n1-c1nc(N2CCOCC2)nc(N2CCOCC2)n1 1912926 HGVNLRPZOWWDKD-UHFFFAOYSA-N 417.420 1.821 0 50 HDAA investigational CC(=O)Nc1ccc(NC(=O)CSc2nnc(NS(C)(=O)=O)s2)cc1 2186118 GIBYMVGZTNZJBP-UHFFFAOYSA-N 401.495 1.599 0 50 HDAA Cc1c(Cl)cccc1NC(=O)N[C@H]1C[C@H]2C(=O)N[C@@H](CCCCN)C(=O)N2C1 14542497 MEFLIUGCLYKXTM-RCBQFDQVSA-N 407.902 1.367 0 50 HDAA O=C1C[C@@H](C(=O)N2CC(=O)N(C3CCCCC3)C[C@H](OCc3ccccc3)C2)CN1 14748801 LGBLGQBIRLSBSH-UYAOXDASSA-N 413.518 1.711 0 50 HDAA Cn1c(Cc2ccccc2)nc2cc(NC=O)cc(C(=O)NCCN3CCOCC3)c21 14979300 AIIOYLBUDBVGPG-UHFFFAOYSA-N 421.501 1.794 0 50 HDAA COCCNC(=O)c1ccc(OC)cc1OC1CCN(C(=O)c2ccon2)CC1 95527790 CGBMQBWJRGKQFB-UHFFFAOYSA-N 403.435 1.743 0 50 HDAA CN(C(=O)Nc1ccccc1S(=O)(=O)N1CCCCC1)[C@@H]1CCS(=O)(=O)C1 170622811 VTELLVDJKBDVCM-CQSZACIVSA-N 415.537 1.512 0 50 HDAA CON(C)C(=O)c1ccc(NC(=O)C(=O)N2CCN(c3ccc(C)cc3)CC2)cc1 784997124 OHRMENGNOJTPER-UHFFFAOYSA-N 410.474 1.916 0 50 HDAA COc1ccc(S(=O)(=O)N2CCN(C(=O)/C=C/c3cc(CO)cs3)CC2)cc1 952979502 NHVIBRMEPIJLMA-QPJJXVBHSA-N 422.528 1.795 0 50 HDAA COc1nccnc1N1CC[C@]2(CN(C(=O)c3cnc4c(c3)CCCC4)CCO2)C1 1857687874 JGCRJRQWNUWDCN-JOCHJYFZSA-N 409.490 1.881 0 50 HDAA O=C(NCCCn1cccn1)[C@@H]1CC(=O)N(c2nnc(Cc3ccccc3)s2)C1 1857709162 IPNSENFDDCSRRA-MRXNPFEDSA-N 410.503 1.885 0 50 HDAA COc1ccc(F)cc1C(=O)N[C@H]1CC[C@H]2C[C@H]1CN2C(=O)C[C@H]1CCNC1=O 1875335248 YKXUFYVKBYFFTI-RMRKRWHISA-N 403.454 1.470 0 50 HDAA CN(CCn1ccnc1)C(=O)C[C@@H]1C(=O)NCCN1Cc1ccc2ccccc2c1 11663517 YNUMUFVNZUGDHT-OAQYLSRUSA-N 405.502 1.885 0 50 HDAA COCCN1C(=O)N(Cc2cccnc2)C(=O)C12CCN([C@H]1CCSC1)CC2 14752110 SLOCZJPGYYUWNA-KRWDZBQOSA-N 404.536 1.832 0 50 HDAA COc1cccc(CC(=O)NCCn2cc(C(=O)Nc3cccc(OC)c3)nn2)c1 14885810 CUJMMBOAZAONBP-UHFFFAOYSA-N 409.446 1.907 0 50 HDAA CCc1ccc(CN(C)C(=O)[C@@H]2CCC(=O)N(CCCN3CCOCC3)C2)nc1 15072472 HQLDOLZJBJTBMV-LJQANCHMSA-N 402.539 1.563 0 50 HDAA COc1ccc(OC[C@H](O)CN2CCC(O)CC2)c(CNCCc2cccnc2)c1 19338342 NBHQNPDLNQQPDZ-OAQYLSRUSA-N 415.534 1.619 0 50 HDAA COc1ccc(NC(=O)C(=O)NCCN2CCN(C(=O)c3cccs3)CC2)cc1 19972713 GNKCLJPDVPKGFT-UHFFFAOYSA-N 416.503 1.269 0 50 HDAA Cc1nn(C)cc1CNC(=O)c1coc(CN2CCN(Cc3ccccc3)CC2)n1 20537300 QLQJWWJGCLZKFU-UHFFFAOYSA-N 408.506 1.964 0 50 HDAA CCc1c(C)sc(NC(=O)CN2CCN(C(=O)[C@H]3CCCO3)CC2)c1C(=O)OC 35800884 YWCDPOOOLDEBHO-OAHLLOKOSA-N 423.535 1.667 0 50 HDAA CCN1CCNC(=O)[C@@H]1CC(=O)NCC(=O)NC(c1ccccc1)c1ccccc1 55325826 JQVUJZOAROGZON-IBGZPJMESA-N 408.502 1.219 0 50 HDAA Cn1ccn2ncc(C(=O)N3CCC(N4CCC[C@H](C(=O)N5CCCC5)C4)CC3)c12 71763779 AXODPGPXIZZRGO-KRWDZBQOSA-N 412.538 1.612 0 50 HDAA Cc1cc(C(=O)N2CCC(N3CCC[C@@H](C(=O)NCc4cccnc4)C3)CC2)[nH]n1 82097684 SHUSNUXRRDWGTA-GOSISDBHSA-N 410.522 1.746 0 50 HDAA Cc1cc(C(=O)N2CCC[C@@H](CCC(=O)N(C)C3CCN(C)CC3)C2)cc(=O)[nH]1 95510583 SRGKNDYKPHRZAJ-KRWDZBQOSA-N 402.539 1.868 0 50 HDAA O=C(NCc1ccncc1)[C@@H]1[C@@H]2C(=O)N(c3ccc4c(c3)OCO4)C[C@@]23C=C[C@H]1O3 136154886 BNABLMYXUHGLDW-TXXUCJGISA-N 405.410 1.413 0 50 HDAA biogenic CC[C@@H]1CN2CCC[C@H]2CN1C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 252477495 PIUQXFQOOQYOPA-MSOLQXFVSA-N 422.551 1.798 0 50 HDAA Cn1cccc1C(=O)N1CCN(C(=O)c2nnn3c2CO[C@@H](c2ccccc2)C3)CC1 263619426 YPRKHEJEOZGOJF-LJQANCHMSA-N 420.473 1.486 0 50 HDAA O=C1CO[C@H](COc2ccc(F)cc2)CN1C1CCN(CCc2cn[nH]c2)CC1 299779761 SRPKURONECTVIO-FQEVSTJZSA-N 402.470 1.862 0 50 HDAA CC(C)(C)OC(=O)N1C[C@H]2CN(S(=O)(=O)c3ccc4nc(O)[nH]c4c3)C[C@H]2C1 795418957 FJJUTOUAOLRTGX-TXEJJXNPSA-N 408.480 1.756 0 50 HDAA O=C(C[C@@H]1NC(=O)c2ccccc21)Nc1ccc(OCC(=O)N2CCOCC2)cc1 827810816 BKSDVDOVLCAKRW-IBGZPJMESA-N 409.442 1.738 0 50 HDAA O=C([C@@H]1CC(=O)N(c2n[nH]c3ccccc23)C1)N1C[C@@H]2C[C@@H](C1)[C@@H]1CCCC(=O)N1C2 888088399 WHPFBAXYJMNJEV-GGXPGOJBSA-N 421.501 1.775 0 50 HDAA O=C(O)[C@@H]1CCCN(S(=O)(=O)N2CCCN(CCCc3ccccc3)CC2)C1 1506418802 VKTFVPQZNPFSQT-LJQANCHMSA-N 409.552 1.668 0 50 HDAA O=C(Cc1ccccc1)N1CCC[C@@]2(CN(Cc3cc(O)nc(O)n3)CC[C@H]2O)C1 1857695006 PBXUBZJJWKAASA-XMSQKQJNSA-N 412.490 1.306 0 50 HDAA CC(C)SCC(=O)N1CCO[C@@H](CN2CCCN(C)CC2)[C@@H]1c1cnn(C)c1 1857710340 RVVHEZPBTHXFGC-ICSRJNTNSA-N 409.600 1.468 0 50 HDAA COCCN1C(=O)[C@]2(CCN(C(=O)c3cccc(-n4cnnc4)n3)C2)c2ccccc21 2100544832 LBIVIFUDIHIZOK-QFIPXVFZSA-N 418.457 1.439 0 50 HDAA CO[C@@H](C(=O)NCCCNC(=O)[C@H](OC)c1ccccc1O)c1ccccc1O 2325736231 ANCHXVCGKHYZLE-RTBURBONSA-N 402.447 1.796 0 50 HDAA CCN1C[C@@H](C(=O)N2CCCC[C@@H](NC(=O)c3ccc(O)c(OC)c3)C2)CCC1=O 2325864626 ULBZGXZMJUBJLB-DLBZAZTESA-N 417.506 1.770 0 50 HDAA CN(C)c1cccc(COc2ccc3c(c2)C(=O)N([C@H]2CCC(=O)NC2=O)C3=O)n1 2325893892 YJKBAOOFRCSKBL-INIZCTEOSA-N 408.414 1.128 0 50 HDAA CN1CCC[C@]2(CCCN2C(=O)CCCn2nnc(-c3ccc(F)cc3)n2)C1=O 2356137011 OJSAFXNHHRJLGW-FQEVSTJZSA-N 400.458 1.873 0 50 HDAA O=CN1CCN(C(=O)C[C@@]2(c3cccc(F)c3)CC(=O)N(C3CCCC3)C2=O)CC1 12037685 MZPBTWCCMXIJCE-QFIPXVFZSA-N 415.465 1.456 0 50 HDAA O=C1CN(C(=O)[C@@H]2CCOC2)C[C@H](OCc2ccccn2)CN1Cc1ccccc1 14537184 RXZKJXZQFZOGMH-TZIWHRDSSA-N 409.486 1.874 0 50 HDAA Cn1c(=O)c2c(nc(OC[C@@H]3CCCCO3)n2Cc2ccc(F)cc2)n(C)c1=O 16448174 RHZNBPAXVIJRSR-HNNXBMFYSA-N 402.426 1.569 0 50 HDAA O=C(CCn1nnnc1CN1CCOCC1)NCCc1ccccc1C(F)(F)F 19226652 WYZHPJGDPRQGDC-UHFFFAOYSA-N 412.416 1.273 0 50 HDAA CCS(=O)(=O)c1ncc(CN2CCN(C)C[C@@H]2c2ccccc2)n1CCOC 19790627 LDRQNIHKBOIAAX-LJQANCHMSA-N 406.552 1.812 0 50 HDAA CC[C@@H](C)CC(=O)N1CCc2c(c(C(=O)NCCC(=O)OC)nn2CC2CC2)C1 20912993 YAHQQIVICMXDHO-CQSZACIVSA-N 404.511 1.907 0 50 HDAA Cc1ocnc1C(=O)N1CCC(N2CCC[C@@H](C(=O)N3CCN(C)CC3)C2)CC1 71714941 ZOMNORAVVMOSFA-QGZVFWFLSA-N 403.527 1.074 0 50 HDAA O=C(O)c1cccnc1N1CCC(N2CCC[C@@H](C(=O)N3CCOCC3)C2)CC1 71761156 WYUNUWORMZSGOD-MRXNPFEDSA-N 402.495 1.319 0 50 HDAA O=C(NCCOc1ccccc1)c1cccc(S(=O)(=O)NC[C@@H]2CCOC2)c1 95375206 WWFOFEHVNTZVGJ-INIZCTEOSA-N 404.488 1.810 0 50 HDAA O=C(Cn1c(=O)ccn(Cc2ccccc2)c1=O)N[C@@H](CCO)Cc1ccccc1 799808567 VNPOSFYTVRUTLQ-FQEVSTJZSA-N 407.470 1.168 0 50 HDAA CN1C[C@H]2CN(c3cc4c(nn3)CCN(C(=O)NC[C@@H]3CCCS3)C4)C[C@H]2C1 952890938 NYLUSUHYNSUBDN-BBWFWOEESA-N 402.568 1.438 0 50 HDAA O=C(O)[C@H]1CCCN(S(=O)(=O)N2CCCN(c3nc4ccccc4s3)CC2)C1 1506406953 SGVCQUWJHZLRSI-AWEZNQCLSA-N 424.548 1.850 0 50 HDAA COc1ccc(S(=O)(=O)N2CCC(CN3CCN(C)CC3)CC2)cc1Cl 1506422784 DMRNGDGPZUJECC-UHFFFAOYSA-N 401.960 1.997 0 50 HDAA CS(=O)(=O)c1ccc(C(=O)N2C[C@H]3CN(Cc4nccs4)C[C@@]3(CO)C2)cc1 1772814412 XXGYTIAOGGCFOO-BEFAXECRSA-N 421.544 1.113 0 50 HDAA CS(=O)(=O)c1cccc(C(=O)N2C[C@@H]3CN(Cc4cccnc4)C[C@@]3(CO)C2)c1 1772814687 NRWZLSWZFPVMIM-RXVVDRJESA-N 415.515 1.052 0 50 HDAA Cc1cc(CC(=O)N2C[C@@H]3CN(C(=O)c4cc(C)nc5c4c(C)nn5C)CC[C@@H]32)on1 1775978815 PJJCPLPUYNMNGU-YJBOKZPZSA-N 422.489 1.797 0 50 HDAA NC(=O)NCCC(=O)N1CC[C@@H]2CN(c3ccnc(Cc4ccc(F)cc4)n3)C[C@@H]21 1875300105 LJXPZVWDFOZDOC-WBVHZDCISA-N 412.469 1.302 0 50 HDAA Cc1cn(CC(=O)N2CC[C@@]3(C2)C(=O)N(CCC(C)C)c2ccccc23)c(=O)nc1O 2100544650 CPAHAZCFUJDAKU-QHCPKHFHSA-N 424.501 1.820 0 50 HDAA C[C@@H](CN1CCCCC1)N(C)C(=O)COCC(=O)N(C)[C@@H](C)CN1CCCCC1 2325723879 FLHSNSVUBZYOTM-PMACEKPBSA-N 410.603 1.669 0 50 HDAA C[C@@H](CC(=O)NCCCNC(=O)C[C@@H](C)N1CCCCC1=O)N1CCCCC1=O 2325724275 ZZRBCMNEANLQFB-CALCHBBNSA-N 408.543 1.191 0 50 HDAA CN(C)[C@@H](C(=O)N1CCc2nc(C3CCOCC3)nn2CC1)c1ccccc1F 2356152388 HBAWAUQPLBZFAW-LJQANCHMSA-N 401.486 1.999 0 50 HDAA CS(=O)(=O)N1CCCC[C@@H]1CCNC(=O)c1ccc(-c2cncc(N)n2)cc1 2356167456 PCEUCEPQFFCGCZ-MRXNPFEDSA-N 403.508 1.660 0 50 HDAA O=C(C[C@H]1SC(=O)NC1=O)Nc1ccccc1NC(=O)C[C@H]1SC(=O)NC1=O 1902861 AMUIADUYFTXQBJ-NXEZZACHSA-N 422.444 1.047 0 50 HDAA CCn1ccc([C@H](C)NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cn(CC)nc3C)C2)n1 6637445 BJLCKRBLUMQSIL-GOEBONIOSA-N 422.555 1.706 0 50 HDAA CC(=O)N1CCN(c2ccc(NC(=O)Cn3cnc4ccccc4c3=O)cc2)CC1 10009562 YLROKBYFENXDBT-UHFFFAOYSA-N 405.458 1.704 0 50 HDAA COCc1ccc(C(=O)NCc2nnc3n2CCN(Cc2cccc(O)c2)CC3)o1 11997484 LMOBASOLJLGHAH-UHFFFAOYSA-N 411.462 1.711 0 50 HDAA CCN(CC)C[C@@H](O)COc1ccc(CN2CCCN(C(C)=O)CC2)cc1OC 12073644 GEQLGRQVARDPMM-HXUWFJFHSA-N 407.555 1.831 0 50 HDAA COCCCn1c(CN2CCC[C@@H](CN3CCCC3=O)C2)cnc1S(C)(=O)=O 12445204 APIBRWKJXPUTOG-MRXNPFEDSA-N 412.556 1.158 0 50 HDAA CN(Cc1cccc2cnccc12)C(=O)C[C@H]1C(=O)NCCN1Cc1cccnc1 15065039 IQHRCLRQVSHGJQ-NRFANRHFSA-N 403.486 1.979 0 50 HDAA Cc1nnc(NS(=O)(=O)c2ccc3c(c2)CN(C(=O)[C@H]2CCOC2)CC3)s1 77357589 ZWVRCTYJKAOFRU-ZDUSSCGKSA-N 408.505 1.569 0 50 HDAA CN(CCc1cn[nH]c1)C(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(Cc4ccc(F)cc4)C(=O)[C@H]13)O2 77377565 GPOZEMRDJDNFBE-WEMPKCCASA-N 410.449 1.532 0 50 HDAA Cn1cc(C(=O)N2CCC(N3CCC[C@H](C(=O)NCc4ccccn4)C3)CC2)cn1 82138501 RXQAVSSQPXDOIJ-KRWDZBQOSA-N 410.522 1.448 0 50 HDAA O=C(NCc1cccnc1)[C@H]1CCCN(C2CCN(C(=O)CN3CCCC3)CC2)C1 82161050 MPXISAKNMDWBAO-FQEVSTJZSA-N 413.566 1.497 0 50 HDAA C[C@H](C(=O)N(C)C[C@]1(O)CCN(Cc2ccccc2)C1)n1nnc(-c2ccccc2)n1 170601432 MQMPZNSQYGDVHE-WZONZLPQSA-N 420.517 1.997 0 50 HDAA COC(=O)C[C@H](c1c(O)n2ccccc2nc1=O)c1cc2ccccc2n(C)c1=O 205948923 OOWVQCYMTBEEOM-AWEZNQCLSA-N 405.410 1.947 0 50 HDAA CNC(=O)NC(=O)[C@H](OC(=O)CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)c1ccccc1 239274768 ARFCMSQWFMCHJM-BFYDXBDKSA-N 413.430 1.068 0 50 HDAA C[C@H](NC(=O)CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)c1nc(-c2ccc(F)cc2)no1 241173106 KGCITNIAASIQEK-AWKHGQQRSA-N 410.405 1.860 0 50 HDAA CCn1c(=O)n(CC(=O)NCc2ncn(Cc3cccc(F)c3)n2)c2ccccc21 440877334 KELHFMVADMINIW-UHFFFAOYSA-N 408.437 1.918 0 50 HDAA Cc1ncsc1CN1C[C@H]2CN(C(=O)c3nnc4n3CCCCC4)C[C@@]2(CO)C1 1772712927 VTCCJLVKPQEEGV-MGPUTAFESA-N 416.551 1.336 0 50 HDAA Cc1nnc(N2C[C@H](C(=O)N3CCN(CCc4ccccc4)C(=O)C3)CC2=O)s1 1857732103 BVCAOSQIKJOQNS-MRXNPFEDSA-N 413.503 1.113 0 50 HDAA OCC(CO)(CO)NC[C@H](O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 5616498 GETQKLUOZMYHGE-AWEZNQCLSA-N 413.301 1.768 0 50 HDAA COc1ccc(C(=O)NCCn2cc(C(=O)N(C)Cc3ccccc3)nn2)c(OC)c1 14993784 LZJJBOWOGUPMJO-UHFFFAOYSA-N 423.473 1.998 0 50 HDAA O=C(NCCCn1ncc2ccccc21)[C@H]1CCC(=O)N(CCN2CCOCC2)C1 19335571 NDJRRLSYGMYPBZ-IBGZPJMESA-N 413.522 1.113 0 50 HDAA CCOC(=O)c1n[nH]cc1CN1CCN(Cc2ccc(OC)cc2F)[C@@H](CCO)C1 19939853 PNVKSTOADUXIEL-KRWDZBQOSA-N 420.485 1.803 0 50 HDAA Cc1nc(N2CCOCC2)cc(N2CCN(S(=O)(=O)c3ccccc3)CC2)n1 33318405 DDEISRCBLIAMNB-UHFFFAOYSA-N 403.508 1.133 0 50 HDAA CCOC(=O)N1CCN([C@H]2CCCN(C(=O)c3cnc4ccccn4c3=O)C2)CC1 55060517 ZHGODZCGJRFMIX-INIZCTEOSA-N 413.478 1.073 0 50 HDAA COc1cccc(S(=O)(=O)N2CCN(c3ccc(-n4ccc(C)n4)nn3)CC2)c1 72436908 OTXJGQJMWCESMS-UHFFFAOYSA-N 414.491 1.490 0 50 HDAA COc1ccccc1[C@H](CNC(=O)[C@](C)(O)CN1Cc2ccccc2C1=O)N(C)C 225431356 QANVVNZSCJKVOW-WMZHIEFXSA-N 411.502 1.821 0 50 HDAA CC[C@H](C)[C@H](CO)NC(=O)C[C@H]1N=C(O)N(CCc2ccc(OC)c(OC)c2)[C@@H]1O 252536774 JOFHZOMLDCBFMW-NCLAMWEWSA-N 423.510 1.076 0 50 HDAA CCOC(=O)/C=C/c1ccc(NS(=O)(=O)CCOCCOCCOC)cc1 253405707 PIZZGGWVQSPQFX-RMKNXTFCSA-N 401.481 1.684 0 50 HDAA CNS(=O)(=O)C[C@@H]1CCCN1C(=O)[C@@H](CC(C)C)N1C(=O)c2ccccc2C1=O 488790853 XPTZKLNHLSWZDS-WMLDXEAASA-N 421.519 1.238 0 50 HDAA CCC1(CO)CCN(CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)OC)CC1 491117776 PDZFPEQKXPABIS-IBGZPJMESA-N 401.507 1.853 0 50 HDAA O=C(N1CC[C@](c2nc(-c3ccc(F)cc3)no2)(C(F)(F)F)C1)C1(CO)COC1 952892384 HAHGYDRGDOECCV-KRWDZBQOSA-N 415.343 1.917 0 50 HDAA COc1cc(NC(=O)c2ccc(C(=O)N3CCOCC3)cc2)cc(-n2cnnn2)c1 952989505 QREZQNMOJNQPQZ-UHFFFAOYSA-N 408.418 1.396 0 50 HDAA O=C([C@H]1CCCCN1C(=O)c1ccc(O)nn1)N1CC[C@@]2(C1)C(=O)Nc1ccccc12 1255296445 MAFSAVNKGLFAPF-VGSWGCGISA-N 421.457 1.299 0 50 HDAA Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1NC(=O)Cc1cnc2c(C)cccn12 1506396333 RJJOYSFZVAIEMY-HNNXBMFYSA-N 401.492 1.997 0 50 HDAA CN(C)c1nccnc1N1Cc2nnc(C3CCOCC3)n2[C@@H](Cc2cnc[nH]2)C1 1704300091 UEVDXKUVGMSPEE-INIZCTEOSA-N 409.498 1.555 0 50 HDAA Cc1nc(C)c(CC(=O)N2CC[C@H]3[C@@H](C2)CN3C(=O)CCC(F)(F)F)c(O)n1 1775980844 COKFUALOMMGYGP-JSGCOSHPSA-N 400.401 1.743 0 50 HDAA CCc1nnc(N2C[C@H](C(=O)N3CCN(C4CCCCC4)C(=O)C3)CC2=O)s1 1857667124 ONEQXOUVSIWBPF-CYBMUJFWSA-N 405.524 1.457 0 50 HDAA CNC(=O)c1ccc(N2CCC[C@@]3(CCc4c(O)nc(-c5cccnc5)nc43)C2)nn1 1857671531 ZWXYXJKCCKGYAL-JOCHJYFZSA-N 417.473 1.878 0 50 HDAA CCOc1ccc2nc(N3C[C@@H](C(=O)NCCCn4ccnn4)CC3=O)sc2c1 1857728020 JWPCSDPVJPEGFW-ZDUSSCGKSA-N 414.491 1.846 0 50 HDAA CN1CCN(c2cc(N3C[C@@H](O)[C@H](Cc4ccc5ccccc5n4)C3)nc(=N)[nH]2)CC1 1857736868 PEKVJKUPQFNPMY-YLJYHZDGSA-N 419.533 1.229 0 50 HDAA CC[C@@H](C(=O)NCc1ccccc1OCc1cn([C@@H](C)C(=O)O)nn1)n1ccnc1 1875357052 ZDNDNGOISZRLCI-YOEHRIQHSA-N 412.450 1.967 0 50 HDAA COc1ccncc1S(=O)(=O)NC(=O)[C@H]1CC(=O)N([C@@H](C)c2ccccc2)C1 2325819849 RWTLDAZIOMNNQJ-ZFWWWQNUSA-N 403.460 1.505 0 50 HDAA C[C@@H](Oc1ccc(F)cc1)C(=O)N1CC(CO)(NC(=O)c2ccc(C(F)F)cn2)C1 2325827888 TVHDPRVVEJCXAJ-GFCCVEGCSA-N 423.391 1.929 0 50 HDAA O=C(Cc1coc(C(F)F)n1)NC[C@H](NC(=O)[C@@]1(O)CCOC1)c1ccccc1 2325861527 SOBUKPDYKGXCEL-IFXJQAMLSA-N 409.389 1.280 0 50 HDAA CCOC(=O)CN1C(=O)[C@](O)(CC(=O)c2ccc3c(c2)OCCO3)c2ccccc21 783771 QTOWRPJUZPLFFQ-QFIPXVFZSA-N 411.410 1.828 0 50 HDAA COC[C@H](C)NC(=O)C1CCN(S(=O)(=O)c2cc(Cl)ccc2OC)CC1 4488418 YWONMIQUOGMDQF-LBPRGKRZSA-N 404.916 1.900 0 50 HDAA CCn1c(CC(=O)Nc2ccccc2C)nnc1SCC(=O)N1CCOCC1 9426777 KFTUDAWXWHXYLG-UHFFFAOYSA-N 403.508 1.739 0 50 HDAA COCCN1C(=O)C[C@@](CC(=O)N2C[C@H](C)O[C@H](C)C2)(c2ccccc2OC)C1=O 11909789 MXJWJGAFCOOFAJ-DMPWYTOCSA-N 418.490 1.364 0 50 HDAA CN(C)S(=O)(=O)c1cc(NCC2CC2)cc(C(=O)NCCCn2ccnc2)c1 14752339 UIKCGGBFUZNSAA-UHFFFAOYSA-N 405.524 1.775 0 50 HDAA C[C@H](Cc1cccnc1)NC(=O)c1coc(CN2CCN(c3ncccn3)CC2)n1 15078633 YZXQINGKQZGSJT-MRXNPFEDSA-N 407.478 1.543 0 50 HDAA C[C@H](C(=O)NC[C@H]1Cc2cc(-c3cncnc3)cc(Cl)c2O1)N1CCOCC1 19841930 GANNOISTAQGGRI-CXAGYDPISA-N 402.882 1.937 0 50 HDAA Cc1nc(NCCNS(=O)(=O)c2ccccc2Cl)cc(N2CCOCC2)n1 65364595 MORLPXWHLHOIOA-UHFFFAOYSA-N 411.915 1.665 0 50 HDAA CC(=O)c1ccc(N2CCC(N3CCC[C@H](C(=O)N4CCOCC4)C3)CC2)nc1 71524167 FDBQHGINAXKQND-IBGZPJMESA-N 400.523 1.824 0 50 HDAA Cc1ccc(N2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N(C)Cc3nccn3C)[C@@H]4C2=O)cc1C 77488784 DCPFKDNOVMLHOI-CLWLKPMESA-N 406.486 1.982 0 50 HDAA COC[C@H]1CCCN1S(=O)(=O)c1ccc2c(c1)CCN(C(=O)[C@H]1CCCO1)C2 77536050 HGBIYUFUCFJYFT-IEBWSBKVSA-N 408.520 1.550 0 50 HDAA Cc1ccc(C(=O)N2CCC3(CCC(=O)N(C[C@H]4CCCO4)C3)CC2)c(=O)n1C 91893210 LCCJGYCJJAXCGU-QGZVFWFLSA-N 401.507 1.718 0 50 HDAA CC(C)(NC(=O)[C@@H]1CCCN(C2CCN(CCc3ccccc3)CC2)C1)C(N)=O 92028203 LEAOUPCBKUXDMT-LJQANCHMSA-N 400.567 1.786 0 50 HDAA CCc1nc(-c2c3n(c(=O)n(CC(=O)Nc4ccc(C)cc4)c2=O)CCCC3)no1 169763934 PDDCIXVTFDEAKL-UHFFFAOYSA-N 409.446 1.906 0 50 HDAA CC[C@H](C)[C@H](CO)NC(=O)CC[C@H]1N=C(O)N(CCc2ccc(OC)cc2)C1=O 252536985 KBJZBAUKNHDOPE-QGTPRVQTSA-N 405.495 1.666 0 50 HDAA CN1C(=O)C[C@@H](CNc2nccn(C3CC3)c2=O)[C@@H]1c1cnn(Cc2ccccc2)c1 328603089 DRNPPKPVYRECKH-LAUBAEHRSA-N 418.501 2.455 0 50 HDAA CN1C(=O)C[C@@H](CNCC(C)(C)S(C)(=O)=O)[C@@H]1c1cnn(Cc2ccccc2)c1 328607353 VVFMLMDFQNFBEI-FXAWDEMLSA-N 418.563 1.864 0 50 HDAA COCCn1ccc2ccc(C(=O)N=c3cc(C)[nH]n3[C@@H]3CCS(=O)(=O)C3)cc21 334159308 YSKHCJJESDSVBX-QGZVFWFLSA-N 416.503 1.826 0 50 HDAA C=CC(=O)NCc1ccc(C(=O)N2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)cc1 781522909 GDSONADCRVKRIE-LJQANCHMSA-N 419.547 1.955 0 50 HDAA COc1ccc([C@H](O)C2CCN(C(=O)c3ccnc4c(C(N)=O)cnn34)CC2)cc1 812638484 SOEJFEGLKQOINW-SFHVURJKSA-N 409.446 1.423 0 50 HDAA O=C(C[C@@H]1CCc2ccccc21)N1CCCN(C(=O)c2nc3ncccn3n2)CC1 1529168458 FBOPEVWEAZEACH-KRWDZBQOSA-N 404.474 1.919 0 50 HDAA Cc1nnc(CN(C)C(=O)[C@@H]2CC(=O)N(c3nnc(Cc4ccccc4)s3)C2)o1 1857700527 IZOSLNNNXDFCGH-CQSZACIVSA-N 412.475 1.832 0 50 HDAA COc1ccccc1OCc1nc(-c2c(C)ncn2C)n([C@H]2CCS(=O)(=O)C2)n1 1857739559 VUSOQSCDBAGXTC-AWEZNQCLSA-N 417.491 1.934 0 50 HDAA CC(=O)N1CCc2sc(S(=O)(=O)Nc3cccc(C(=O)NC(N)=O)c3)cc2C1 1875329869 HMOUYGKPHCVHFX-UHFFFAOYSA-N 422.488 1.262 0 50 HDAA C[C@@H](CN1CCCCC1)N(C)C(=O)COCC(=O)N(C)[C@H](C)CN1CCCCC1 2325723878 FLHSNSVUBZYOTM-BGYRXZFFSA-N 410.603 1.669 0 50 HDAA CN(C)CCNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1c(F)cccc1Cl 4809688 NMXZFNZNFZYNMA-UHFFFAOYSA-N 408.865 1.248 0 50 HDAA CCN1CCN(C(=O)CCc2nnc(CCc3ccc(OC)cc3)o2)[C@@H](C)C1=O 12299105 JGEYIDBXVRAANN-HNNXBMFYSA-N 400.479 1.875 0 50 HDAA COc1ccc2oc(=O)c(-c3ccc(OCC(=O)N4CCNC(=O)C4)cc3)cc2c1 13691389 WWNNDZMUXRCLQB-UHFFFAOYSA-N 408.410 1.806 0 50 HDAA O=C1N[C@@H](COCc2ccccc2)C(=O)N2C[C@@H](NCc3ccc(F)cc3F)C[C@@H]12 14741405 QIMZMLALRXNBLK-IHPCNDPISA-N 415.440 1.739 0 50 HDAA O=C1N[C@@H](CC2CCCCC2)C(=O)N2CCN(S(=O)(=O)c3ccccc3F)C[C@H]12 14745689 FIPSDXVEHPEXJI-DLBZAZTESA-N 423.510 1.496 0 50 HDAA CC(=O)NCCNC(=O)[C@H]1C[C@@H](C(=O)Nc2ccc(F)cc2)CN(CC(C)C)C1 14750606 XRQAQBQVNAUBJS-DLBZAZTESA-N 406.502 1.611 0 50 HDAA COC(=O)[C@@H]1C[C@H](C(=O)NCc2cnn(C)c2C)[C@H](c2cccc(F)c2F)N1C 15078072 MQTFDBXEJUBJCQ-ZVZYQTTQSA-N 406.433 1.858 0 50 HDAA CCOc1ccc(S(=O)(=O)N2CCN(c3cc(N(C)C)nc(C)n3)CC2)cc1 15671224 SUQTXXOHBBAYPC-UHFFFAOYSA-N 405.524 1.761 0 50 HDAA O=C1CC[C@@H](C(=O)N2CC(=O)N(C3CCCCC3)C[C@@H](OCc3ccncc3)C2)N1 20452527 MGXHXXYTLMUJDZ-OALUTQOASA-N 414.506 1.249 0 50 HDAA O=C(Nc1ccc2c(c1)CN(C(=O)Cc1cnc3ncnn3c1)CC2)[C@H]1CCCO1 20785007 SCJOOZXACMBKPT-GOSISDBHSA-N 406.446 1.369 0 50 HDAA CC(C)CNC(=O)[C@@H]1C[C@H](CN2CCN(C)CC2)CN(Cc2ccc(O)cc2)C1 23353400 ULKHKSNXZWXQPM-NHCUHLMSSA-N 402.583 1.850 0 50 HDAA COc1ccc(S(=O)(=O)N2CCN(c3ccnc(N4CCCCC4)n3)CC2)cc1 72115780 FJMQVIXZFBXOEB-UHFFFAOYSA-N 417.535 1.986 0 50 HDAA Cc1nc(CN2CCC3(CC2)CN(CCN2CCN(C(C)C)CC2)C(=O)O3)co1 72410035 LRAKIQURKCKKHW-UHFFFAOYSA-N 405.543 1.796 0 50 HDAA CCOC(=O)[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CCN(C(=O)c1ccn(C)n1)C2 91678966 KALUPQHRBGAFMU-CBGDNZLLSA-N 404.511 1.316 0 50 HDAA NC(=O)C1CCN(c2ccc(NC(=O)[C@@H](O)[C@@H](O)c3nc4ccccc4[nH]3)cc2)CC1 779619942 QMMQIPFOPJSIEQ-MOPGFXCFSA-N 423.473 1.298 0 50 HDAA COc1ccc(S(=O)(=O)CCC(=O)Nc2cc(C(N)=O)ccc2CN(C)C)cc1 1319086754 QKXRZXJEDAQKBZ-UHFFFAOYSA-N 419.503 1.658 0 50 HDAA C[C@H](Cn1cncn1)C(=O)NCC1CCN(C(=O)CSc2ccccn2)CC1 1506431483 MDERGADDVMCZSS-OAHLLOKOSA-N 402.524 1.456 0 50 HDAA CCCNS(=O)(=O)c1ccc(C(=O)N(C)[C@@H]2C[C@@H]3CC(=O)N(C)C[C@@H]3C2)cc1 1529197533 RIMBPQUMMXWTCK-IXDOHACOSA-N 407.536 1.704 0 50 HDAA O=C(O)CC[C@]12CN(Cc3nccs3)C[C@@H]1CN(C(=O)Cc1ccncc1)C2 1772817924 JIVCNMCWWVLGHG-OXQOHEQNSA-N 400.504 1.906 0 50 HDAA COCC(=O)N[C@@H]1[C@H]2CC[C@@H]1CN(C(=O)Cc1cc3c(cc1Cl)OCCO3)C2 1857692981 CCDZFQJWOYYTMX-PPTBJCHFSA-N 408.882 1.653 0 50 HDAA O=C([C@@H]1CCOC1)N1CCC[C@](Cc2cn(Cc3cccs3)nn2)(C(=O)O)C1 1875325349 WCUSPAVBAPJJPG-AUUYWEPGSA-N 404.492 1.660 0 50 HDAA CCc1nc(=N)[nH]c(=N[C@H](CNC(=O)c2cccc([S@](C)=O)c2)C2CCC2)[nH]1 1875335164 UUQFDOHXNMWGJC-JMGYQRAPSA-N 402.524 1.016 0 50 HDAA Cc1cc(=O)c(O)c(C2(CC(=O)NCCO)CCN(C(=O)OC(C)(C)C)CC2)o1 2049513440 ULUXUWQLXXCWQH-UHFFFAOYSA-N 410.467 1.421 0 50 HDAA CCc1ccc(C(C)(C)C(=O)N[C@@H]2CN([C@H]3CCN(CC)C3=O)C[C@H]2OC)cc1 2325794266 WIIGFPFTHUUSKG-HSALFYBXSA-N 401.551 1.963 0 50 HDAA CCOC(=O)N1CCN(C(=O)c2ccc(C)c(S(=O)(=O)N3CCCC3)c2)CC1 7881083 NLIGLYJAIRBCMY-UHFFFAOYSA-N 409.508 1.694 0 50 HDAA O=C(O)c1ccccc1C(=O)N(CCS(=O)(=O)N1CCCC1)Cc1ccccn1 9060997 HZFBEHRTMIICSE-UHFFFAOYSA-N 417.487 1.848 0 50 HDAA COc1ccc(/C=C/C(=O)NCCn2cc(C(=O)N3C[C@H](C)O[C@H](C)C3)nn2)cc1 12131614 BMZHKXMVBFIFOC-OFVOXDDOSA-N 413.478 1.366 0 50 HDAA O=C(N[C@H]1C[C@H]2C(=O)N[C@H](Cc3ccc(O)cc3)C(=O)N2C1)c1sccc1Cl 14750786 BPYMAMXCTHLWLN-GLQYFDAESA-N 419.890 1.548 0 50 HDAA Cc1c(C(=O)N2CCC[C@H](O)C2)sc2ncnc(NCCN3CCOCC3)c12 23337339 NQERPXBVSXTPEE-AWEZNQCLSA-N 405.524 1.341 0 50 HDAA O=S(=O)(c1cc(F)ccc1F)N1CCN(c2cc(N3CCCC3)ncn2)CC1 38530853 LOCZWQDYEOWEBQ-UHFFFAOYSA-N 409.462 1.866 0 50 HDAA Cc1nc(N2CCOCC2)ncc1-c1cc(=O)[nH]c(N2CCc3ccccc3C2)n1 39383608 NIYYQSRTIFKYTA-UHFFFAOYSA-N 404.474 1.935 0 50 HDAA CN1CCN(S(=O)(=O)c2cc(C(=O)NC[C@H]3CCCO3)ccc2Cl)CC1 72140569 URJLINXODABNLL-CQSZACIVSA-N 401.916 1.185 0 50 HDAA Cc1nnsc1CN(C)C(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(Cc4cccnc4)C(=O)[C@H]13)O2 77406893 SWZPZXDZUXJMLI-VERUCKTNSA-N 411.487 1.182 0 50 HDAA CCC(CC)CN1C[C@]23C=C[C@H](O2)[C@H](C(=O)N(C)CCn2ccnc2C)[C@@H]3C1=O 77469799 VFUDGDFLBPRRIT-VWNVYAMZSA-N 400.523 1.868 0 50 HDAA CC(=O)NCCNC(=O)[C@@H]1CCCN(C2CCN(C3Cc4ccccc4C3)CC2)C1 91321310 DRHJLCHJHJYBJR-OAQYLSRUSA-N 412.578 1.583 0 50 HDAA COc1ccc(C(=O)NC[C@@]23C=C[C@@H](O2)[C@@H]2C(=O)N(Cc4ccccc4)C(=O)[C@@H]23)cc1 169298490 FIWVFKGPAZUXEL-ZBNTXBBCSA-N 418.449 1.934 0 50 HDAA COc1ccc(CCN2C(=O)N[C@@H](CC(=O)Nc3nccs3)C2=O)cc1OC 170625618 IYAHUXICPPDWEL-LBPRGKRZSA-N 404.448 1.652 0 50 HDAA COC(=O)C[C@@H](c1c(O)n2ccccc2nc1=O)c1cc2ccccc2n(C)c1=O 205948904 OOWVQCYMTBEEOM-CQSZACIVSA-N 405.410 1.947 0 50 HDAA COC(=O)C[C@@H](c1cc(OC)c2c(c1)OCO2)c1c(O)cc(C)n(CC(=O)O)c1=O 217819064 IGPSLYMBHNARGV-LBPRGKRZSA-N 419.386 1.379 0 50 HDAA biogenic COc1ccc(CNC(=O)CC[C@H]2NC(=O)N(Cc3ccco3)C2=O)cc1OC 223218549 ICIXPIBJLRXEOO-OAHLLOKOSA-N 401.419 1.814 0 50 HDAA COC(=O)c1cn(Cc2ccc(-c3nn4c(C)nnc4s3)cc2)cc2c(=O)[nH]nc1-2 263587087 BYXGLZZNPQBXMR-UHFFFAOYSA-N 421.442 1.986 0 50 HDAA CCN(CCc1nc2cccc(C)c2[nH]1)C(=O)CCN(C)[C@@H]1CCS(=O)(=O)C1 952987923 KKHWNYKRVFJLOO-MRXNPFEDSA-N 406.552 1.771 0 50 HDAA CCCn1ncc(CN2C[C@H]3CN(c4nc(N)nc(C)c4Cl)C[C@]3(CO)C2)c1C 1772819055 ONKVUWKLXHMCDI-JXFKEZNVSA-N 419.961 1.866 0 50 HDAA CCCO[C@H]1C[C@@H](C(=O)NCc2cccn3nccc23)CC[C@@H]1NS(C)(=O)=O 1857690944 WBZZLVSGMUBVRP-ZVZYQTTQSA-N 408.524 1.464 0 50 HDAA CN1CC[C@]2(C(=O)NC3Cc4ccccc4C3)CCCN(C(=O)c3cn[nH]c3)[C@H]2C1 1857694114 BFNQQWBXNHYDJD-NZQKXSOJSA-N 407.518 1.620 0 50 HDAA Cc1ccc2c(C(=O)N3CC[C@H]4[C@@H]3CC(=O)N4CCOc3nonc3C)cnn2c1 1857699807 ZAELEPXYJGGAFO-IRXDYDNUSA-N 410.434 1.229 0 50 HDAA CO[C@H]1CN(C(=O)c2cccc(-n3cc(C(C)(C)N(C)C)nn3)c2)[C@](C)(C(=O)O)C1 1875354270 SNAANOKNJZHASR-IERDGZPVSA-N 415.494 1.768 0 50 HDAA CC(=O)Nc1ncc(S(=O)(=O)N2c3cnn(C)c3CC[C@H]2C(F)(F)F)s1 1875354335 DVJNKYKYWRDAMP-JTQLQIEISA-N 409.415 1.907 0 50 HDAA O=C(O)C[C@@H](Cc1cn(-c2ccc3[nH]ccc3c2)nn1)NC(=O)[C@H]1CCCCNC1=O 1875357012 XZSNHMNKPKOQBL-PBHICJAKSA-N 424.461 1.167 0 50 HDAA C[C@@H](CC(=O)NCCCNC(=O)C[C@H](C)N1CCCCC1=O)N1CCCCC1=O 2325724277 ZZRBCMNEANLQFB-IRXDYDNUSA-N 408.543 1.191 0 50 HDAA Cc1cc(C2CC2)ncc1C(=O)N1C[C@@H]2C[C@@H](O)[C@H]1[C@H]2NC(=O)c1cnc(Cl)[nH]1 2325872821 OFFGLOKIWVEPTJ-FKSAFCJBSA-N 415.881 1.648 0 50 HDAA O=C1CO[C@H](C(=O)N2CCC3(CC2)OCCc2sccc23)[C@@H](c2cccnc2)N1 2356143820 XNPVSOZWMSITQB-MOPGFXCFSA-N 413.499 1.790 0 50 HDAA CCOC(=O)N1CCN(C(=O)[C@H](C)N(c2ccc(Cl)cc2)S(C)(=O)=O)CC1 2873583 FQGJDYAVPWIOOW-ZDUSSCGKSA-N 417.915 1.795 0 50 HDAA COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)N2CCC(OC)CC2)cc1OC 11662663 WFWQIARWVRRQOG-KRWDZBQOSA-N 405.495 1.032 0 50 HDAA COc1ccc(OCCNC(=O)c2cccc(N3C(=O)[C@H](C)CS3(=O)=O)c2)cc1 12003141 TYZCLUDKUNUUKC-CQSZACIVSA-N 418.471 1.817 0 50 HDAA CCOC(=O)C1(Cc2ccc(OC)cc2)CCN(C(=O)c2ccc(=O)n(C)n2)CC1 12020718 JXKITLSWXAULRG-UHFFFAOYSA-N 413.474 1.817 0 50 HDAA O=C1NCCN(CCc2ccccc2)[C@@H]1CC(=O)N1CCN(c2ccncc2)CC1 12055563 DRZLYVPCPNXVMF-OAQYLSRUSA-N 407.518 1.163 0 50 HDAA O=C1CCCN1CCCN1C[C@@H](C(=O)N(CCO)Cc2ccccc2)CCC1=O 12076344 CREUKIKEGMTDOV-IBGZPJMESA-N 401.507 1.259 0 50 HDAA COc1ccc(C[C@@H]2NC(=O)[C@@H]3C[C@H](NC(=O)NC4CCCCC4)CN3C2=O)cc1 14747699 LETBBUNCIBOKMM-WDSOQIARSA-N 414.506 1.338 0 50 HDAA COc1ccc(C(=O)c2ccc(N3CCN([C@@H]4CC(=O)NC4=O)CC3)cc2)cc1F 18271283 IFUWVVUXWOFVQM-GOSISDBHSA-N 411.433 1.602 0 50 HDAA COC(=O)c1ccccc1C(=O)N1CCC[C@H](CCC(=O)N2CCN(C)CC2)C1 20453928 PJMLNROQJHJPSP-QGZVFWFLSA-N 401.507 1.880 0 50 HDAA Cc1cnc(CNC(=O)C[C@H]2C(=O)NCCN2Cc2ccccc2C(F)(F)F)cn1 55198387 BTXFEWHQFXPNJE-KRWDZBQOSA-N 421.423 1.811 0 50 HDAA COC(=O)[C@@H](CCSC)NC(=O)N1CCN(C(=O)c2c[nH]c3ccccc23)CC1 67601925 PRZZAJIPNWDSGR-QGZVFWFLSA-N 418.519 1.930 0 50 HDAA CCc1cnc(C)nc1N1CCC(N2CCC[C@@H](C(=O)N3CCOCC3)C2)CC1 71745665 XFMIVMBRYRDMFR-LJQANCHMSA-N 401.555 1.887 0 50 HDAA Cc1ccc([C@@H]2CN(C(=O)c3c[nH]nc3-n3cnnn3)[C@@H]3C4CCN(CC4)[C@H]23)cc1 95522209 WFCRAUNOOABOPS-IPMKNSEASA-N 404.478 1.396 0 50 HDAA CCOC(=O)c1ccc2c(c1)nc(CN1CCC([C@H](O)C(=O)OC)CC1)n2CC 252496929 PVHSKKFJAIZJTC-IBGZPJMESA-N 403.479 1.979 0 50 HDAA COc1cccc(C(=O)N2CCN(C(=O)CCCn3ccccc3=O)CC2)c1OC 735008680 ZEKJDTLKGFSXMT-UHFFFAOYSA-N 413.474 1.630 0 50 HDAA C[C@H]1CCCN(Cc2ccccc2CNC(=O)c2cn(C[C@@H]3CNC(=O)O3)nn2)C1 1290891363 MEZLKEHSIHTOEJ-YJBOKZPZSA-N 412.494 1.548 0 50 HDAA COc1cc(S(=O)(=O)N2CC[C@@]34OCCN3C(=O)C[C@@H]24)c(OC)cc1Cl 1857739851 VZRIHORAQLXLGZ-ZBFHGGJFSA-N 402.856 1.079 0 50 HDAA COc1ccc(F)cc1C(=O)N[C@@H]1CN(C(=O)C[C@@H]2CCNC2=O)CC2(CC2)C1 1875335272 ZJGYHAUSKIUSNK-ZFWWWQNUSA-N 403.454 1.471 0 50 HDAA Cc1cn2ccc(C(=O)Nc3ccc4c(c3)C(=O)N([C@@H]3CCC(=O)NC3=O)C4)cc2n1 2325895776 JIOVAKIQLLOLFD-QGZVFWFLSA-N 417.425 1.656 0 50 HDAA O=C(O)c1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)cc1 707352 GBVVOEOBNKJSNG-UHFFFAOYSA-N 408.407 1.797 0 50 HDAA CCn1cc(S(=O)(=O)N2CCC[C@H](C(=O)NCc3ccnn3CC)C2)c(C)n1 2807949 OISZEXXAMXDPGI-HNNXBMFYSA-N 408.528 1.145 0 50 HDAA CC(C)[C@H](NC(=O)c1ccccn1)c1nnc2n1CCN(C(=O)[C@H]1CCOC1)CC2 12020039 UTKWJCKOENPOFY-YJBOKZPZSA-N 412.494 1.221 0 50 HDAA COC(=O)c1cc(C)nc2c1c(=O)n(CC(=O)Nc1ccc(Cl)cc1)c(=O)n2C 12445493 UKRXUSSADUHVSY-UHFFFAOYSA-N 416.821 1.482 0 50 HDAA CCOC(=O)c1c(NC(=O)CN2CCN(C=O)CC2)sc2c1CC(C)(C)OC2 36001188 FWUKAEOOLZZVPV-UHFFFAOYSA-N 409.508 1.489 0 50 HDAA Cc1c(CN(C)C(=O)[C@@H]2[C@@H]3C=C[C@@]4(CN(Cc5cccnc5)C(=O)[C@H]24)O3)cnn1C 77534891 PXYODKOBJMQCIQ-WEMPKCCASA-N 407.474 1.064 0 50 HDAA O=c1[nH]c(NC[C@@H]2CN(c3nncs3)CCO2)nc2c1cnn2-c1ccccc1 225648361 QJBOPAHKRPSYPJ-CYBMUJFWSA-N 410.463 1.278 0 50 HDAA CC(=O)OC(OC(C)=O)[C@@]12C=C[C@@H](O1)[C@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]12 239046650 FVMVBNZVDHMILW-CUYVQJCZSA-N 405.790 1.605 0 50 HDAA COC(=O)c1cn(-c2cccc(NC(=O)C(=O)N3CCc4cc(F)ccc43)c2)nn1 328596578 DQWOJAKXAWRNDM-UHFFFAOYSA-N 409.377 1.721 0 50 HDAA Cc1nnnn1-c1cc(NC(=O)N[C@H]2CS(=O)(=O)c3ccccc32)ccc1F 439396441 NZNMHURKIVOWDK-AWEZNQCLSA-N 402.411 1.760 0 50 HDAA O=C1CCCN1Cc1ccc(C(=O)N2CCC[C@H](N3CCCS3(=O)=O)C2)cc1 469344197 WKJIWNSMDKHCFP-SFHVURJKSA-N 405.520 1.449 0 50 HDAA COC(=O)CCCCC(=O)NS(=O)(=O)NCc1cccc(Br)c1 575629714 AAKWKKLWPGBBHD-UHFFFAOYSA-N 407.286 1.633 0 50 HDAA Cn1ccnc1CN1C[C@H]2CN(C(=O)c3csc4c3CCCC4)C[C@]2(CO)C1 1772809579 AOBUDCCCWNXEOX-BTYIYWSLSA-N 400.548 1.927 0 50 HDAA Cn1ncc2c(=O)n(CCN3C(=O)CCN(CCc4ccc(F)cc4)C3=O)cnc21 1875311625 HOLYKYNSBIJYJQ-UHFFFAOYSA-N 412.425 1.166 0 50 HDAA O=C1CC[C@H](N2Cc3c(cccc3-n3cc(-c4ccc(Cl)cn4)nn3)C2=O)C(=O)N1 1875356271 NBNQSFLVVADOJE-KRWDZBQOSA-N 422.832 1.744 0 50 HDAA O=C(c1cc(C2CC2)[nH]n1)N1CCC2(CCc3c(O)nc(N4CCOCC4)nc32)CC1 1940193522 LNGYSEQDMHLVEB-UHFFFAOYSA-N 424.505 1.740 0 50 HDAA COc1cc(CS(=O)(=O)NC(=O)[C@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)sn1 2325819436 DSSDFXMHKHQBFK-JSGCOSHPSA-N 423.516 1.707 0 50 HDAA COC(=O)[C@H](C)Sc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1cccc(C)c1 637152 OSHCFTBAOPNJIZ-LBPRGKRZSA-N 402.476 1.444 0 50 HDAA NS(=O)(=O)c1ccc(NC2=NC(=O)[C@H](CC(=O)Nc3ccccc3)S2)cc1 1797010 CCXUGQBDRGAFJP-AWEZNQCLSA-N 404.473 1.773 0 50 HDAA COc1cc(NS(=O)(=O)c2ccc(NC(=O)c3c(Cl)cnn3C)cc2)ncn1 2765938 JCRSROCDMQNVGS-UHFFFAOYSA-N 422.854 1.925 0 50 HDAA CCOC(=O)N1CCN(C(=O)Cn2nc(-c3ccc(Cl)cc3)ccc2=O)CC1 4101211 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COC(=O)[C@H]1C[C@H]2CN(C(=O)c3n[nH]c(C)c3Cl)CC(=O)N2[C@H]1c1ccccc1 1857727533 SHWQZHBFAVKENE-DEYYWGMASA-N 416.865 1.959 0 50 HDAA Cc1nnc(N2C[C@H](C(=O)N3CCCN(c4ccncc4C)CC3)CC2=O)s1 1875243282 ZLOLOWWRJKRVOI-OAHLLOKOSA-N 400.508 1.642 0 50 HDAA CN(C)Cc1cccc(C(=O)N2CCC[C@H](n3cc(COCC(=O)O)nn3)CC2)c1 1875355115 AQRYWUNQLYHBTR-IBGZPJMESA-N 415.494 1.808 0 50 HDAA COC(=O)CSc1nc2c(c(=O)n(C)c(=O)n2C)n1CCCc1ccccc1 637929 ZYPLSTNHBYPYBA-UHFFFAOYSA-N 402.476 1.332 0 50 HDAA Cc1nc(NCCNS(=O)(=O)c2cc(C)c(C)cc2C)cc(N2CCOCC2)n1 38488312 WVQPQBSLHHQNMT-UHFFFAOYSA-N 419.551 1.937 0 50 HDAA CC(C)(C)OC(=O)NCCOCCOCCOCCOCCOCCC(=O)O 96307099 RVYBVZICXVYKRD-UHFFFAOYSA-N 409.476 1.069 0 50 HDAA in-vitro O=c1cccc2n1C[C@H]1C[C@H]2CN(c2nc(N3CCCC3)nc(N3CCCC3)n2)C1 100113016 NZPAMSHQYRPUFB-IRXDYDNUSA-N 407.522 1.857 0 50 HDAA Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3[C@@H](C(=O)O)[C@H]4C=C[C@H]3C4)CC2)cc1C 101449290 ODCHDDDWJGNJAS-DKKFBQAASA-N 418.515 1.659 0 50 HDAA COC(=O)c1cn(-c2ccc(N3CCCCS3(=O)=O)cc2)cc2c(=O)[nH]nc1-2 253409943 MQPZKYWAFJLPQB-UHFFFAOYSA-N 402.432 1.382 0 50 HDAA COCCn1cnnc1[C@H](C)NS(=O)(=O)c1ccc2c(c1)NC(=O)CCS2 670438653 YBRFDWLCDQUZMK-NSHDSACASA-N 411.509 1.398 0 50 HDAA Cc1ccc2nc(CNC(=O)[C@@]34CC[C@@H](N5CCOCC5)C[C@H]3CCNC4)[nH]c2c1 1857682709 ZDUKMWDKICTNSP-PMAPCBKXSA-N 411.550 1.968 0 50 HDAA CCc1nccn1CCC(=O)N1CCO[C@]2(CCN(CCn3nccc3C)C2)C1 1857702536 MYPZMBXPKWXLOW-NRFANRHFSA-N 400.527 1.344 0 50 HDAA Cn1c(N2CC[C@H](O)C2)nc2cc(C(=O)N3CCc4[nH]nc(C5CC5)c4CC3)ccc21 1875245344 VYDQHKWHCZQPNL-INIZCTEOSA-N 420.517 1.986 0 50 HDAA COC(=O)[C@]1(C)CCCN(c2ncnc3c2ncn3CC2(CO)CCOCC2)C1 1875268994 JMBQVXUJQAVRJI-LJQANCHMSA-N 403.483 1.395 0 50 HDAA CN1C(=O)c2ccc(NC(=O)CCN3C(=O)c4ccccc4S3(=O)=O)cc2C1=O 1141867 RBPUTKVGVJMYGO-UHFFFAOYSA-N 413.411 1.086 0 50 HDAA NC(=O)COc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCO)cc1 2866541 WGZZUSYWSDEDID-LJQANCHMSA-N 408.410 1.585 0 50 HDAA Cc1cc(C)cc(N2CCN(C(=O)C[C@H]3C(=O)NCCN3C3CCCC3)CC2=O)c1 11754257 BSGDSZODAGBFCS-FQEVSTJZSA-N 412.534 1.612 0 50 HDAA O=C(COc1ccccc1Cl)NCCn1cc(C(=O)NCc2ccncc2)nn1 12211689 WWUFUAXQLHWDEI-UHFFFAOYSA-N 414.853 1.452 0 50 HDAA CC(C)Cn1c(CN2CCC[C@H](C(=O)N3CCOCC3)C2)cnc1S(C)(=O)=O 12300538 ZOIXRMNXMLYVNR-INIZCTEOSA-N 412.556 1.013 0 50 HDAA COc1cc(C[C@@H](C)N(C)CCn2cc(C(=O)N3CCSCC3)nn2)ccc1O 15069046 KGPHOYKHHDBCIN-OAHLLOKOSA-N 419.551 1.744 0 50 HDAA COc1ccccc1N1CCN([C@H]2CC(=O)N(c3ccc(C(=O)O)cc3)C2=O)CC1 18250413 BRTRXHGJJRPAST-SFHVURJKSA-N 409.442 1.848 0 50 HDAA COc1ccc(S(=O)(=O)N2CCN(Cc3cc(OC)c(O)c(OC)c3)CC2)cc1 19557092 NLKHEMDZUYITKD-UHFFFAOYSA-N 422.503 1.925 0 50 HDAA O=c1cc(CN2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)nc2sccn12 20457992 SLXMOSKZDYDYDQ-UHFFFAOYSA-N 408.480 1.402 0 50 HDAA CN(Cc1n[nH]c(=O)[nH]1)Cc1c(C(=O)N(C)Cc2ccccc2)nc2ccccn12 20869483 MXJSHQHPHXTBMG-UHFFFAOYSA-N 405.462 1.650 0 50 HDAA O=C(C[C@H]1C(=O)NCCN1Cc1c(F)cccc1Cl)NCCCn1cccn1 55568613 QDTVGTCISFBXEV-KRWDZBQOSA-N 407.877 1.573 0 50 HDAA CCCCN1CCN([C@H](C(=O)NCc2nccs2)c2ccccc2)C(=O)C1=O 77536154 NDLIFAHDOHOSEJ-KRWDZBQOSA-N 400.504 1.972 0 50 HDAA O=C(N[C@@H]1C=CS(=O)(=O)C1)[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1 245256114 NUGPLWYJTOUZIV-BZUAXINKSA-N 412.533 1.198 0 50 HDAA C[C@@H]1CO[C@H](CO)CN1C(=O)c1cn(C)nc1[C@H]1CCCN(C(=O)OC(C)(C)C)C1 253393078 PYTVCFNZDRUXQU-PMPSAXMXSA-N 422.526 1.756 0 50 HDAA CNC(=O)[C@H]1Cc2ccccc2CN1C(=O)C[C@@H]1NC(=O)N(c2ccccc2)C1=O 409413383 AGNWXZLZMPQYKE-ZWKOTPCHSA-N 406.442 1.201 0 50 HDAA Cc1nn(-c2ccccc2)c(C)c1[C@H]1COCCN1C(=O)c1cnc(O)n(C)c1=O 952888092 MAGZEBVLOBFSRI-QGZVFWFLSA-N 409.446 1.502 0 50 HDAA CN(Cc1nc2ccc(F)cc2[nH]1)C(=O)C1CCN([C@H]2CCS(=O)(=O)C2)CC1 1506402661 JBRYMLYHHXQFJH-HNNXBMFYSA-N 408.499 1.560 0 50 HDAA COCCn1cncc1CNC(=O)c1c(N2CCOCC2)noc1-c1ccccc1 1704325693 PPRHUQHCFOHLNA-UHFFFAOYSA-N 411.462 1.951 0 50 HDAA C[C@@H]1[C@@H](NC(=O)C(=O)Nc2cccc(C(=O)NCc3ccccn3)c2)CCCN1C 1875259162 ZMKKJDRVTSYZDX-BEFAXECRSA-N 409.490 1.549 0 50 HDAA CN1C(=O)c2ccccc2[C@@H]1CNC(=O)NCCS(=O)(=O)c1ccc(F)cc1 1875318405 ODMQIMDHCNRJSO-KRWDZBQOSA-N 405.451 1.726 0 50 HDAA Cn1ncc2ncc(C(=O)N[C@H]3C4CN5CCN(C4)CC3(c3ccccc3)C5)cc21 1940193649 ZGOJJNBWJZDVKO-QKTWPWEVSA-N 402.502 1.266 0 50 HDAA COc1ccc(NC(=O)CN(c2ccc3c(c2)OCO3)S(C)(=O)=O)c(OC)c1 818460 VXEIPYUNHLQMGQ-UHFFFAOYSA-N 408.432 1.837 0 50 HDAA COCCC(=O)N1CCC(Oc2ccc(C(=O)NCc3cnn(C)c3)cc2)CC1 11759526 QVUIXFNOSLVVCP-UHFFFAOYSA-N 400.479 1.756 0 50 HDAA CCn1cc(/C=c2\sc3n(c2=O)[C@@H](c2ccccc2)C(C(=O)OC)=C(C)N=3)c(C)n1 17093133 HIRUDDJWWCUVFS-XGHXRCDJSA-N 422.510 1.933 0 50 HDAA COc1ccnc(CN(C)C(=O)[C@H]2CCC(=O)N(CCCN3CCOCC3)C2)c1 20168096 FKSYZGQTDFPHRJ-KRWDZBQOSA-N 404.511 1.010 0 50 HDAA CCOC(=O)N1CCN(C(=O)Cn2nc(-c3ccc(OC)cc3F)ccc2=O)CC1 44900923 XAGXQFGZEGKPGE-UHFFFAOYSA-N 418.425 1.359 0 50 HDAA CNC(=O)[C@H](C)N(C)C(=O)c1coc(CN2CCN(c3ccccc3F)CC2)n1 67790322 BWEYMGMWOPCRHO-AWEZNQCLSA-N 403.458 1.342 0 50 HDAA Cc1ccc(CNS(=O)(=O)c2ccc3c(c2)CN(C(=O)c2cnn(C)c2)CC3)o1 77487635 ZJTGZIHHPCJBBR-UHFFFAOYSA-N 414.487 1.999 0 50 HDAA Cc1ccc(CNC(=O)Cn2c(=O)c(-c3noc(C)n3)c3n(c2=O)CCCCC3)cc1 169763994 ANLLSCFKMDDBAJ-UHFFFAOYSA-N 423.473 1.720 0 50 HDAA O=C(NCc1cccnc1)[C@H]1[C@H]2C=C[C@@]3(CN(Cc4ccc5c(c4)OCO5)C(=O)[C@H]13)O2 252346939 KPXAOELHTHDUFL-UYOCQKMUSA-N 419.437 1.409 0 50 HDAA COc1c2c(c(S(=O)(=O)N(C)Cc3ccccc3)c3c1C(=O)N(C)CC3)OCO2 263586153 QRASHAVHOYMIFQ-UHFFFAOYSA-N 418.471 1.873 0 50 HDAA biogenic O=C(Nc1ccc(S(=O)(=O)N2C[C@@H]3C[C@H]4C[C@H]3[C@@H]2[C@@H]4O)cc1)c1cnccn1 408521308 PDXMXYNDZQBQFG-OTRYGVMCSA-N 400.460 1.119 0 50 HDAA COc1ccc(N2C(=O)N[C@H](CC(=O)NC[C@@H]3CCCN4CCCC[C@@H]34)C2=O)cc1 409415077 SPBQKENQJALNBD-IPELMVKDSA-N 414.506 1.891 0 50 HDAA CN(CC1CCN(Cc2ccccc2)CC1)S(=O)(=O)[C@@H]1CCS(=O)(=O)C1 952977544 VJUDUGUCQLTJEZ-GOSISDBHSA-N 400.566 1.347 0 50 HDAA COc1ccccc1C(=O)N1C[C@H]2CN(S(=O)(=O)c3ccccc3)C[C@@]2(CO)C1 1772812843 RPMWWWWQWVDBTO-HRAATJIYSA-N 416.499 1.450 0 50 HDAA O=C(NC[C@@H]1CN(CC2CCN(CC3CC3)CC2)C(=O)CO1)c1ccc(F)c(O)c1 1857680238 ITVBIJOSUYVIBD-GOSISDBHSA-N 419.497 1.611 0 50 HDAA CN(CC(=O)N1CC[C@@]23OC[C@@H](c4ccccc4)N2C(=O)C[C@@H]13)Cc1ccccn1 1857729301 WNCCKHVKEWXBMN-MZKRTTBSSA-N 406.486 1.814 0 50 HDAA O=C(NCc1cnc2c(c1)CN(C(=O)[C@@H]1CCOC1)CC2)c1ccncc1Cl 1875248218 DKARETFGZDQPKK-CQSZACIVSA-N 400.866 1.981 0 50 HDAA O=C(Cc1coc(C(F)F)n1)NC[C@H](NC(=O)[C@]1(O)CCOC1)c1ccccc1 2325861529 SOBUKPDYKGXCEL-LIRRHRJNSA-N 409.389 1.280 0 50 HDAA CCN1C[C@H](C(=O)N2CCCC[C@@H](NC(=O)c3cccc(CO)c3)C2)CCC1=O 2325864702 XHJIKBBENOCURJ-RTBURBONSA-N 401.507 1.548 0 50 HDAA N=c1nc2c(c[nH]1)CC[C@@]21CCCN(C(=O)CCn2cnc3ccccc3c2=O)C1 2356136165 IVRRAWLATXHWSY-JOCHJYFZSA-N 404.474 1.496 0 50 HDAA CCOC(=O)N1CCN(C(=O)[C@@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)CC1 6729306 PFNCRJTYRPVUBA-CYBMUJFWSA-N 401.460 1.281 0 50 HDAA COc1cc(CN2CCCN(C(C)=O)CC2)ccc1OC[C@H](O)CN(C)C(C)C 11839557 LQJNYUTUNFROEM-HXUWFJFHSA-N 407.555 1.829 0 50 HDAA COCC(=O)Nc1cc(C(=O)N2CCNC(=O)C2)cc2nc(-c3ccccc3)n(C)c12 11996026 CHKGHJVIABSDSH-UHFFFAOYSA-N 421.457 1.397 0 50 HDAA CCc1ccc(C(=O)N[C@H]2C[C@H]3C(=O)N[C@@H](Cc4ccc(OC)cc4)C(=O)N3C2)cc1 14538716 LAMCWFBWCKKPNZ-JBACZVJFSA-N 421.497 1.698 0 50 HDAA CC(C)[C@@H](NS(C)(=O)=O)c1nnc2n1CCN(Cc1c(F)cccc1F)CC2 20909053 GQLTWJWIBHACFR-QGZVFWFLSA-N 413.494 1.861 0 50 HDAA CCc1c(C)nn(C)c1NC(=O)Cn1cc(-c2nc3c(cc2C(N)=O)CCC3)cn1 23214215 OZZHTZLNDHHCDS-UHFFFAOYSA-N 407.478 1.776 0 50 HDAA CCN(CC)C[C@@H](O)COc1ccc(CN(C)CCN2CCOCC2)cc1OC 23374560 VMLDFEIZXRZOHU-HXUWFJFHSA-N 409.571 1.541 0 50 HDAA COc1cccc(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N3CCC(F)CC3)[C@@H]4C2=O)c1 77323450 VECDDYIYDVSALJ-JYLXEMOASA-N 400.450 1.938 0 50 HDAA CN(Cc1cc(C2CC2)on1)C(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(Cc4cccnc4)C(=O)[C@H]13)O2 77422690 VXRXNZOQERKOAZ-USKVXJDGSA-N 420.469 1.888 0 50 HDAA CN(C)CC(=O)N1CCC(N2CCC[C@H](C(=O)NCCc3ccccc3)C2)CC1 82120270 MOCUYHLCXYCBSW-FQEVSTJZSA-N 400.567 1.610 0 50 HDAA COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N(C)[C@H]3CCCC[C@H]3O)C2)cc1 243932137 BTHVEGRRLOFDSG-ZYSHUDEJSA-N 410.536 1.858 0 50 HDAA O=C(Cc1ccc2c(c1)OCO2)N1C[C@@H]2CN(Cc3ccns3)C[C@]2(CO)C1 1772806095 SZYNFJNVFBANAJ-MGPUTAFESA-N 401.488 1.367 0 50 HDAA Cn1ncc2c1CCN[C@@H]2C(=O)N1CCO[C@H](c2ccccc2Br)C1 1857530276 LHXMWUSKNGPHEC-IRXDYDNUSA-N 405.296 1.970 0 50 HDAA Cc1cc(N2CCN(C(=O)c3nc(Cl)n(C)n3)CC2)nc(-c2ccccc2O)n1 1857691308 FVZQJGVTUQADNI-UHFFFAOYSA-N 413.869 1.902 0 50 HDAA COC(=O)[C@H]1C[C@H]2CN(C(=O)CCc3ccncc3)CC(=O)N2[C@H]1c1ccccc1 1875244779 UPYNZQRSOMSVJA-IPJJNNNSSA-N 407.470 1.988 0 50 HDAA O=C(CCn1ccc(O)nc1=O)N1[C@H]2CC[C@@H]1[C@@H]1CN(CCc3ccccc3)C[C@@H]12 1875251173 OZFKZHMRNVBVPH-FGYAAKKASA-N 408.502 1.503 0 50 HDAA O=C(Nc1cc(F)cc(NC(=O)[C@@H]2CCc3nncn3C2)c1)[C@H]1CCc2nncn2C1 2325722310 HWBVVBLVDXAQFP-BETUJISGSA-N 424.440 1.411 0 50 HDAA CC(C)[C@H](C(=O)N(C)CCCN(C)C(=O)[C@@H](C(C)C)n1cncn1)n1cncn1 2325727874 KTFOSKBGHRPVGF-IAGOWNOFSA-N 404.519 1.271 0 50 HDAA Cc1cnn(C2CCN(C(=O)NC[C@H]3CS(=O)(=O)c4ccccc4O3)CC2)c1 2325820480 ZMKYQRFQIIITJS-INIZCTEOSA-N 404.492 1.773 0 50 HDAA CC(C)C(=O)NCCc1nnc2n1CCN(C(=O)CSc1ccccc1)CC2 12217393 RATUUQWKNUGYPP-UHFFFAOYSA-N 401.536 1.770 0 50 HDAA COC(=O)COc1ccc(/C=C2/SC(=O)N([C@@H](C)C(=O)OC)C2=O)cc1OC 12381061 XJWYPSLJUBMDHP-CEITULEQSA-N 409.416 1.845 0 50 HDAA Cn1ncc(C(=O)O)c1C(=O)N1CCN(c2nc(C3CC3)cc(C(F)(F)F)n2)CC1 13645051 LMAHAYONHLIGAX-UHFFFAOYSA-N 424.383 1.767 0 50 HDAA COc1cc(CNCCc2cccnc2)ccc1OC[C@H](O)CN1CCOCC1 19221885 DCIGDBPGJLTFMK-HXUWFJFHSA-N 401.507 1.494 0 50 HDAA O=C1CC[C@@H](C(=O)N2CCOc3ccc(Cl)cc3C2)CN1CCN1CCOCC1 19743567 WRSJITYLDNQXOJ-MRXNPFEDSA-N 421.925 1.632 0 50 HDAA CCN1CCN(Cc2ccc(OC[C@H](O)CN3CCN(CC)CC3)c(OC)c2)CC1 20995301 NYWIWSCXULIQGV-OAQYLSRUSA-N 420.598 1.210 0 50 HDAA COc1ccc(OC)c(CNC(=O)C[C@H]2C(=O)NCCN2Cc2cccs2)c1 55360064 DHAXGKJLAOAMDH-KRWDZBQOSA-N 403.504 1.772 0 50 HDAA CN1CCN(S(=O)(=O)c2cc(C(=O)NCc3ccncc3)ccc2Cl)CC1 72140574 XQHXZBGUEVHFEQ-UHFFFAOYSA-N 408.911 1.601 0 50 HDAA CCN1CCN(C(=O)[C@H]2[C@@H]3C=C[C@@]4(CN(Cc5ccc(C)c(C)c5)C(=O)[C@H]24)O3)CC1=O 77455342 WMFUTXKXYRAKIS-FVLCUVFVSA-N 423.513 1.276 0 50 HDAA CN1CCN([C@H]2CCN(c3ncccc3C(=O)N(C)C)C[C@H]2CCC(=O)O)CC1 95391738 TZEYCZXBHPKKLE-AEFFLSMTSA-N 403.527 1.091 0 50 HDAA CCc1n[nH]c2c1CN(c1ncc(C(C)(C)C(=O)O)c(N3CCOCC3)n1)CC2 96131308 UYOWPKCPNDTNNL-UHFFFAOYSA-N 400.483 1.524 0 50 HDAA CC[C@]1(C)c2sc(=O)[nH]c2S[C@@H]2[C@H]3C[C@@H]([C@@H]4C(=O)N([C@H](C)C(=O)O)C(=O)[C@@H]43)[C@H]21 249693592 ODSRPHMFQGHMHT-IAVGMQJPSA-N 422.528 1.919 0 50 HDAA COCCn1ccc2c(C(=O)N=c3cc(C)[nH]n3[C@H]3CCS(=O)(=O)C3)cccc21 334159257 JAMVARDIHNHLKT-HNNXBMFYSA-N 416.503 1.826 0 50 HDAA COCCN1C[C@@H](C(=O)NC2CCN(C(=O)NC3CCCCC3)CC2)CCC1=O 952976966 WEHZEYBNQAZDIC-INIZCTEOSA-N 408.543 1.494 0 50 HDAA CC(=O)Nc1c[nH]nc1[C@@H]1CCCN(C(=O)c2ccc(=O)n(-c3cnn(C)c3)c2)C1 1342479907 CQGWNAMGXMBVCN-CQSZACIVSA-N 409.450 1.272 0 50 HDAA O=C(CCCN1CCOCC1)N1CCC[C@]2(CCc3c(O)nc(C4CC4)nc32)C1 1857689450 QDIJOSHCQKDPME-QFIPXVFZSA-N 400.523 1.978 0 50 HDAA CCOC(=O)N1CCC(NC(=O)[C@@H]2CC(=O)N(c3nnc(C(C)C)s3)C2)CC1 1857695775 XDFSPXZZOZQFHZ-GFCCVEGCSA-N 409.512 1.752 0 50 HDAA COc1ccc([C@H]2NC(=O)CO[C@@H]2C(=O)NCCOc2ccccc2)cc1OC 2100477259 XIGIRNMFEWBHJN-UXHICEINSA-N 400.431 1.455 0 50 HDAA CN(C(=O)CCCn1ccnn1)[C@@H]1CCCC[C@H]1N(C)C(=O)CCCn1ccnn1 2325724261 USMGQKXVTMZFMV-QZTJIDSGSA-N 416.530 1.358 0 50 HDAA CCOC(=O)[C@H](NC(=O)Cc1n[nH]c2c1CCCC2)[C@H](O)c1ccc(OC)cc1 2325861125 GKKOKDMRZZEPOK-WOJBJXKFSA-N 401.463 1.621 0 50 HDAA CN(C(=O)COc1cccc2c1CN([C@H]1CCC(=O)NC1=O)C2=O)C1CC(F)(F)C1 2325897307 UDLWXYUUVAHOLJ-AWEZNQCLSA-N 421.400 1.083 0 50 HDAA Cc1ccc(C(=O)N2CCC[C@]3(CCc4c[nH]c(=N)nc43)C2)cc1N1CCNC1=O 2356142342 OIQVMQONAJLLMJ-QFIPXVFZSA-N 406.490 1.847 0 50 HDAA COc1ccc([C@@H]2[C@@H](C(=O)N(C)Cc3noc(C)n3)OCC(=O)N2C2CC2)cc1 2356153570 MHNJCLQQFNAUEC-MOPGFXCFSA-N 400.435 1.476 0 50 HDAA CS(=O)(=O)N(CC[C@@H]1CCS(=O)(=O)C1)c1cccc(N2CCCC2=O)c1 2356154798 KCPBXLGIGWMSBR-CQSZACIVSA-N 400.522 1.404 0 50 HDAA COC1CCN(C[C@@H]2[C@@H](c3ccccc3)[C@]23CN(C(=O)c2cn[nH]c2)C[C@@H]3O)CC1 2356163587 JVNZICVHQWIXLU-ADYITMSISA-N 410.518 1.737 0 50 HDAA COc1cc(CC(N)=O)c(Cc2cc(OC)c(OC)cc2CC(N)=O)cc1OC 5045588 DBOZAAIWCZOLJV-UHFFFAOYSA-N 402.447 1.367 0 50 HDAA COc1cc(OC)cc(C(=O)NC[C@@H]2CCCN(C(=O)CCN3CCCO3)C2)c1 14974814 VUXQQTIZWLQNOT-INIZCTEOSA-N 405.495 1.700 0 50 HDAA Cc1cc(=O)c(C(=O)NCCCN2CCOCC2)c(Cc2ccccc2F)n1C 20272049 QYPAGUUPXZOIEX-UHFFFAOYSA-N 401.482 1.876 0 50 HDAA O=C(NCc1nnnn1CC1CC1)c1cccc(S(=O)(=O)NC2CCCC2)c1 170597984 GSPSQMKHEBMIJI-UHFFFAOYSA-N 404.496 1.234 0 50 HDAA COc1ccc(CCN2C(=O)N[C@@H](CC(=O)Nc3ncc(C)s3)C2=O)cc1OC 170625623 OJUYBTLTUHYUFF-ZDUSSCGKSA-N 418.475 1.960 0 50 HDAA Cc1ccccc1[C@]1(CC(=O)N2CCC[C@@H](O)C2)CC(=O)N(Cc2ccncc2)C1=O 299761419 WKIJIVFWOVEGCG-DVECYGJZSA-N 421.497 1.960 0 50 HDAA COc1cccc(OCCN2CCN(C(=O)c3csc(NC(C)=O)n3)CC2)c1 484325785 NJXXVRLMANRHOX-UHFFFAOYSA-N 404.492 1.947 0 50 HDAA Cc1ccc(S(=O)(=O)NCCCNC(=O)[C@H]2CC(=O)Nc3ccccc32)cc1 828320665 YPVLZSZVQOMGBS-KRWDZBQOSA-N 401.488 1.906 0 50 HDAA C[C@H]1CCCN(Cc2ccccc2CNC(=O)c2cn(C[C@H]3CNC(=O)O3)nn2)C1 1290891361 MEZLKEHSIHTOEJ-MAUKXSAKSA-N 412.494 1.548 0 50 HDAA Nc1nc2c(c(C(=O)N3CCc4nnc(Cc5cccnc5)n4CC3)n1)CCCC2 1506423787 WRAQNKPZXVJFBR-UHFFFAOYSA-N 404.478 1.213 0 50 HDAA O=C(Cc1cccnc1)N1C[C@@H]2CN(C(=O)c3ccc(F)cc3F)C[C@]2(CO)C1 1772705600 YGAKPVSJTVZDQR-VFNWGFHPSA-N 401.413 1.495 0 50 HDAA Cc1noc(C)c1CN1C[C@@H]2CN(S(=O)(=O)c3cccc(F)c3)C[C@]2(CO)C1 1772813743 RPPQEMLKSRVHQB-BEFAXECRSA-N 409.483 1.546 0 50 HDAA COc1ccc(-c2onc(N3CCN(CC(=O)NC(C)C)CC3)c2C(=O)O)cc1 2356156891 VQUHMERFKPZUGA-UHFFFAOYSA-N 402.451 1.695 0 50 HDAA O=C1c2ccccc2S(=O)(=O)N1CCCCN1CCN(c2ncccn2)CC1 1999529 TZJUVVIWVWFLCD-UHFFFAOYSA-N 401.492 1.224 0 50 HDAA investigational Cc1ccc(S(=O)(=O)n2cnc(C[C@@H](NC(=O)OC(C)(C)C)C(=O)O)c2)cc1 2384952 DCLJSEPKYJSEHW-OAHLLOKOSA-N 409.464 1.949 0 50 HDAA biogenic,in-vitro COCCNC(=O)c1cn(C2CCN(C(=O)COc3ccc(C)cc3)CC2)nn1 11816061 JVSADYSVRMFBKF-UHFFFAOYSA-N 401.467 1.205 0 50 HDAA COc1cccc(CN2CCNC(=O)[C@H]2CC(=O)NCc2ccc(F)cc2)c1OC 11842945 RHDUVEPRSLBFKO-GOSISDBHSA-N 415.465 1.850 0 50 HDAA O=C1[C@H]2CN(Cc3nc(-c4ccc(F)cc4)cs3)CCN2C(=O)[C@@H]2CCCN12 14733232 SYIWNYLPRKUFHM-DLBZAZTESA-N 400.479 1.967 0 50 HDAA COc1ccccc1OCC(=O)N1CCC[C@H](CCC(=O)N2CCN(C)CC2)C1 20455359 TWUAFVREKJILJN-GOSISDBHSA-N 403.523 1.867 0 50 HDAA O=C(NCc1ccccn1)[C@H]1CCCN(C2CCN(S(=O)(=O)C3CC3)CC2)C1 82086705 LCINHSVUOVRAPN-INIZCTEOSA-N 406.552 1.366 0 50 HDAA O=C(CCCNc1ncccn1)N1CCN(Cc2nc3ccccc3c(=O)[nH]2)CC1 170625353 KUPMLRDXZDQNHX-UHFFFAOYSA-N 407.478 1.250 0 50 HDAA COC[C@@H]1CN(C(=O)c2cccc(S(=O)(=O)Nc3cc(C)on3)c2)C[C@H](C)O1 440177640 JADODRBEWJKRLL-ZFWWWQNUSA-N 409.464 1.660 0 50 HDAA COc1ccccc1-c1ccnc(C2CCN(C(=O)CCn3ncn(C)c3=O)CC2)n1 952894982 VTLDFZMSHJMXNR-UHFFFAOYSA-N 422.489 1.844 0 50 HDAA CC(C)N1CCNC(=O)[C@H]1CC(=O)Nc1ccc(NC(=O)CN2CCCCC2)cc1 952986487 IYKVEYALWZFRFL-LJQANCHMSA-N 415.538 1.648 0 50 HDAA COc1ccc(C(=O)N2CCOCC2)cc1NC(=O)N1[C@H](C)C(=O)N[C@@H](C)[C@H]1C 1476063999 XHDCENBWYJWIIV-BFHYXJOUSA-N 404.467 1.297 0 50 HDAA Cc1nc(CN2C(=O)C[C@H]3[C@@H]2CCN3C(=O)c2ccc(N)nc2)nc2c1CCCC2 1800414369 PNCBWYLZNCAXDY-ROUUACIJSA-N 406.490 1.657 0 50 HDAA COC(=O)[C@H]1C[C@H]2CN(C(=O)c3n[nH]c4c3CCC4)CC(=O)N2[C@H]1c1ccccc1 1857741543 XPOVNRRZWDFXTG-UVFQYZLESA-N 408.458 1.486 0 50 HDAA CCN1CCC[C@H](C(=O)N2CCCCC[C@H](NC(=O)c3cncc(C(N)=O)c3)C2)C1 2325864607 TWAPUHPOFVOUSR-LPHOPBHVSA-N 415.538 1.413 0 50 HDAA COc1cc(CN2CC[C@@H](NC(=O)[C@@]34CCC[C@@](CN)(C3)OC4)C2)cc(OC)c1 2325879739 GJGMRZUUKPYNGC-WTNAPCKOSA-N 403.523 1.682 0 50 HDAA COc1ccc(N2C(=O)[C@@H](CC(N)=O)N(NC(=O)CCc3ccccc3)C2=O)cc1 1070157 JJUGLNVVMVGEHR-QGZVFWFLSA-N 410.430 1.372 0 50 HDAA CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1ccc(NS(C)(=O)=O)cc1 13673060 OFNHFRILSZZDDK-UHFFFAOYSA-N 423.516 1.511 0 50 HDAA NCCCC[C@@H]1NC(=O)[C@@H]2C[C@H](NC(=O)c3cc(Cl)cc(Cl)c3)CN2C1=O 14531087 HKDJQIFJGJAIFB-KKUMJFAQSA-N 413.305 1.320 0 50 HDAA COc1ccc(C[C@@H]2NC(=O)[C@@H]3C[C@H](NCc4cc(C)ccc4F)CN3C2=O)cc1 14746456 VSVFJFMQFMAXON-YYWHXJBOSA-N 411.477 1.943 0 50 HDAA COc1ccccc1C(=O)N1CCN2C(=O)[C@H](COCc3ccccc3)NC(=O)[C@H]2C1 14751003 HPJDZFIICIYQCT-RBUKOAKNSA-N 423.469 1.063 0 50 HDAA CO/C(=C\c1ccc(N)cc1S(=O)(=O)O)c1ccc(N)cc1S(=O)(=O)O 16662381 FOFLKCVPKODZOR-MLPAPPSSSA-N 400.434 1.489 0 50 HDAA CCNC(=O)c1nn(Cc2cccc(OC)c2)c2c1CN(Cc1cnn(C)c1)CC2 20455321 DNEKHYRQXLCSAF-UHFFFAOYSA-N 408.506 1.982 0 50 HDAA CCNc1cc(N2CCN(S(=O)(=O)c3ccc(NC(C)=O)cc3)CC2)nc(C)n1 65364658 PQUGTOJRDHOGHV-UHFFFAOYSA-N 418.523 1.686 0 50 HDAA COc1cccc(C(=O)N2CCN(c3cc(N4CCN(C)CC4)nc(C)n3)CC2)c1 72441253 MAEFFCRMWTVGPM-UHFFFAOYSA-N 410.522 1.508 0 50 HDAA O=C(O)CN1C(=O)[C@@H]2[C@H](C1=O)[C@H]1C[C@@H]2[C@H]2[C@H]1Sc1[nH]c(=O)sc1C21CCCC1 238899893 HFGNCTZBQJNROV-VNRLQFKDSA-N 420.512 1.674 0 50 HDAA CC(C)c1ccc(N2C(=O)N[C@@H](CCC(=O)NCCS(=O)(=O)N(C)C)C2=O)cc1 253405539 IIVYRMLTAWGDSY-INIZCTEOSA-N 424.523 1.023 0 50 HDAA O=C(Cn1ccc2ccccc21)NC[C@H]1CCCN(S(=O)(=O)c2cn[nH]c2)C1 952984259 ZDSAXJKHZKEEMH-OAHLLOKOSA-N 401.492 1.582 0 50 HDAA CCn1cc(/N=c2\scc(-c3cnccn3)n2CCCN(C)S(C)(=O)=O)cn1 1875255793 MKAKRWWEBHQCLC-FXBPSFAMSA-N 421.552 1.737 0 50 HDAA CC(C)(C)c1cnc(C(=O)NCc2ccc3c(c2)C(=O)N([C@H]2CCC(=O)NC2=O)C3)o1 2325886882 MRZLXUHKTDSWEW-HNNXBMFYSA-N 424.457 1.663 0 50 HDAA O=S(=O)(NCCNS(=O)(=O)C1CC1)c1ccc(-c2cc[nH]c3nccc2-3)cc1 2325898479 FOSMTOAPALICMX-UHFFFAOYSA-N 420.516 1.542 0 50 HDAA CCCc1cc(=O)n(-c2ccc(C(=O)N3CC[C@@H](O)[C@@]4(CCCNC4=O)C3)cc2)[nH]1 2356156417 AVJULAYFOSFIEB-XMSQKQJNSA-N 412.490 1.221 0 50 HDAA O=C(c1cc2c(s1)CCOC21CCNCC1)N1CCC2(CC1)OCC[C@H](O)[C@@H]2O 2356158683 VFANVISDHSLIOA-YJBOKZPZSA-N 422.547 1.016 0 50 HDAA C[C@@H](O)[C@H](NC(=O)CNC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 4763741 WFOUCHSTLPZYMW-BEFAXECRSA-N 400.431 1.522 0 50 HDAA COC(=O)C1=C(C)N=c2s/c(=C\c3cccnc3)c(=O)n2[C@H]1c1ccc(OC)cc1 8425320 GIRAYBXADBCHMC-XGHXRCDJSA-N 421.478 1.812 0 50 HDAA CCN(CC)C(=O)c1ccccc1NC(=O)C1CCN(S(=O)(=O)N(C)C)CC1 10337731 LLSQRMHWNJDABO-UHFFFAOYSA-N 410.540 1.626 0 50 HDAA COc1cccc(CN(C)CCn2cc(C(=O)N3CCSCC3)nn2)c1OC 14998663 ZDNPPYDZRJRRQT-UHFFFAOYSA-N 405.524 1.616 0 50 HDAA COc1ccc(S(=O)(=O)[C@@H]2CS(=O)(=O)C[C@H]2NC2CCCCC2)cc1C 55408884 ZEJOSAMXYYDSTG-SJLPKXTDSA-N 401.550 1.865 0 50 HDAA CN1CCC(Oc2ccc(CNC(=O)[C@@H]3CCCN(S(C)(=O)=O)C3)cc2)CC1 65362702 CSFZOSNHJFWULD-QGZVFWFLSA-N 409.552 1.447 0 50 HDAA COc1ccc(SCCNC(=O)C2CCN(S(=O)(=O)N(C)C)CC2)cc1 72117370 CUFYNXKTPVWACO-UHFFFAOYSA-N 401.554 1.422 0 50 HDAA Cc1ccc(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N(C)Cc3cc[nH]n3)[C@H]4C2=O)cc1C 77554779 CFPOCQPBPGFGPT-MXBUBSDBSA-N 406.486 1.967 0 50 HDAA CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc2c(c1)C[C@@H](C)N2C(C)=O 229638887 KOAVGTQYVBLIQI-DOMZBBRYSA-N 400.522 1.182 0 50 HDAA COC(=O)c1c(NC(=O)CN2CCN3CCC[C@H]3C2)sc(C(=O)N(C)C)c1C 239248081 YABHZRMACQNXDY-ZDUSSCGKSA-N 408.524 1.263 0 50 HDAA Cc1noc(C)c1CN1CCc2c(C(=O)NCCN3CCOCC3)csc2C1 426575054 QMSPANQHNVEQDI-UHFFFAOYSA-N 404.536 1.973 0 50 HDAA Cc1sc2nc(CCNC(=O)c3cn(C[C@@H]4CCCNC4)nn3)nc(O)c2c1C 670454935 VDMMVVIVIFOONH-CYBMUJFWSA-N 415.523 1.577 0 50 HDAA Cc1nnnn1Cc1ccc(C(=O)NC23C[C@@H]4C[C@H](C2)CC(n2ncnn2)(C4)C3)cc1 828157717 CCROUKUWDYROSC-AGXSTUJCSA-N 419.493 1.494 0 50 HDAA C[C@H]1c2nncn2CCN1C(=O)c1cccc(C(=O)N2CCn3cnnc3[C@H]2C)c1 1320699102 WKKSXPJKKUIIGM-OKILXGFUSA-N 406.450 1.304 0 50 HDAA Cc1ccc(OCC(=O)N[C@@H]2CC[C@H](NC(=O)Cc3c(O)n[nH]c3C)C2)cc1C 1857668076 AVWGVROGLPTCPW-JKSUJKDBSA-N 400.479 1.816 0 50 HDAA O=C(NC[C@H]1CC2(CCNCC2)C(=O)O1)[C@H]1CCc2ncc(Br)n2C1 2325854160 QDWFGHVVSVYSPD-NWDGAFQWSA-N 411.300 1.010 0 50 HDAA O=C1CC[C@@H](N2Cc3c(C(=O)Nc4cccc(C(=O)O)c4)cccc3C2=O)C(=O)N1 2325896800 HFJOBPRSZRALRG-MRXNPFEDSA-N 407.382 1.398 0 50 HDAA Cn1cnc(C(=O)N2CCC([S@](C)(=O)=NC(=O)C[C@H]3CC[C@H](C4CC4)O3)CC2)c1 2332238910 PITGEPITVDVVHE-OKRNOHDPSA-N 422.551 1.997 0 50 HDAA COC(=O)c1ccccc1NC(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 1141004 HUMSLMTZHBEFIT-UHFFFAOYSA-N 420.443 1.649 0 50 HDAA CS(=O)(=O)N1CCN(S(=O)(=O)c2cc(Cl)c(Cl)cc2Cl)CC1 6519939 UMUCUTHGXFODIP-UHFFFAOYSA-N 407.728 1.913 0 50 HDAA COC(=O)c1c(OC(C)C)cc(=O)n2c1CCN(C(=O)c1cccnc1OC)CC2 12055247 DNPXLAZYFSNIFB-UHFFFAOYSA-N 415.446 1.524 0 50 HDAA Cc1nn(C)c(Cl)c1S(=O)(=O)N1CCC[C@H](CNC(=O)c2ccco2)C1 12205392 DCDYKBDQMILAOB-GFCCVEGCSA-N 400.888 1.806 0 50 HDAA CC(=O)N1c2ccc(S(=O)(=O)NCCC(=O)Nc3ccc(C)cn3)cc2C[C@@H]1C 15935485 XYBKWYFIVKARML-AWEZNQCLSA-N 416.503 1.995 0 50 HDAA Cc1nccc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3cn(C)nc3C)cc2)n1 17093090 NJDCCUWINXLOGS-UHFFFAOYSA-N 422.492 1.429 0 50 HDAA COC(=O)C[C@H]1C(=O)NCCN1Cc1nc(-c2cc3c(cc2Cl)OCO3)oc1C 39442635 OFILHODZHCHONU-AWEZNQCLSA-N 421.837 1.896 0 50 HDAA C[C@@H]1[C@@H](N2C[C@@H](C(=O)NCCc3ccc(S(N)(=O)=O)cc3)CC2=O)CCC[C@H]1C 248174878 YSYARCJLEUVVEF-YEWFCNIMSA-N 421.563 1.666 0 50 HDAA CN1C(=O)C[C@@H](CN=c2cc(Cl)nc(N)[nH]2)[C@@H]1c1cnn(-c2ccc(F)cc2)c1 328603576 GREDPUIYQUDQHA-BBATYDOGSA-N 415.860 2.090 0 50 HDAA CS(=O)(=O)NC[C@H]1CCCN(S(=O)(=O)N2CCC3(CCCCC3)CC2)C1 480941006 VPSRCCIDBZOOCN-MRXNPFEDSA-N 407.602 1.539 0 50 HDAA Cc1cc(N2CCN(C(=O)CCCn3cncn3)CC2)nc(-c2ccccc2O)n1 952981463 ZFNIBPOBVKRNQH-UHFFFAOYSA-N 407.478 1.878 0 50 HDAA CCOC(=O)[C@@]12CC[C@H](N3CCOCC3)C[C@H]1CCN(C(=O)c1cn(C)cn1)C2 1857689255 LFWGPXGLUDBDBR-LLGFUMIMSA-N 404.511 1.316 0 50 HDAA CC[C@H](CNC(=O)[C@]1(C)CCCCNC1=O)NC(=O)c1nnc(C(C)(C)C)s1 2325823880 HBIDBMCKYSGJET-CWTRNNRKSA-N 409.556 1.767 0 50 HDAA C[S@](=O)(=NC(=O)C1=CS(=O)(=O)CCC1)C1CCN(C(=O)[C@@H]2CC2(F)F)CC1 2332238585 DJYMJMBQOXSQIX-WHDAMIPWSA-N 424.491 1.350 0 50 HDAA CCN(CC)c1nc2c(c(=O)n(C)c(=O)n2C)n1C[C@@H](O)COc1ccccc1C 625686 FXUGEQWQIDFYGB-OAHLLOKOSA-N 415.494 1.028 0 50 HDAA COc1cc(NS(=O)(=O)c2ccc(NC(=O)[C@@H]3CCCO3)cc2)nc(OC)n1 1054853 JFQNXINPEZTXLT-ZDUSSCGKSA-N 408.436 1.412 0 50 HDAA CN1CCCCC[C@@H]1C(=O)N1CCC(N2CCC(C(=O)N3CCOCC3)CC2)CC1 12581079 SUOLMFLLBNKZKC-OAQYLSRUSA-N 420.598 1.423 0 50 HDAA CC[C@H](C)NC(=O)Cn1c(=O)c2c(C(=O)OC)cc(C)nc2n(-c2ccccc2)c1=O 20573227 SUBJQTRIJBUVGN-ZDUSSCGKSA-N 424.457 1.557 0 50 HDAA O=C(NCCCN1CCOCC1)C(=O)Nc1ccc(I)cc1 22147555 OPIHVGLJPSNNTI-UHFFFAOYSA-N 417.247 1.068 0 50 HDAA Cc1nnsc1CN(C)C(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(Cc4cccnc4)C(=O)[C@@H]13)O2 77406895 SWZPZXDZUXJMLI-REGYPHIPSA-N 411.487 1.182 0 50 HDAA CN(Cc1ccccn1)C(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(c4ccc(CCO)cc4)C(=O)[C@@H]13)O2 77406954 LRZFSNQLEDXJKH-BLRYILKCSA-N 419.481 1.561 0 50 HDAA Cc1ncn(-c2cc(NCCNS(=O)(=O)c3ccc(F)cc3F)ncn2)c1C 82230550 QRPIHODOPASTDU-UHFFFAOYSA-N 408.434 1.948 0 50 HDAA CN(C)CCN(C)C[C@@H]1CN(C2CCN(C(=O)c3ccccc3)CC2)C[C@@H]1CO 91536729 PPSAWIIPERVUBG-NHCUHLMSSA-N 402.583 1.325 0 50 HDAA COc1cccc(CC(=O)NC2CCN(C(=O)c3cc4c(=O)[nH]c(C)cn4n3)CC2)c1 169780295 MFIYMLKKXJKSJY-UHFFFAOYSA-N 423.473 1.303 0 50 HDAA COCCOCCC(=O)N[C@@H]1CCN([C@@H](C(=O)OC(C)(C)C)c2ccccc2)C1=O 170608633 YSSZIZYYMOPPKW-IEBWSBKVSA-N 420.506 1.840 0 50 HDAA CCOC(=O)N1CCN(C(=O)CC[C@H]2NC(=O)N(CCc3ccccc3)C2=O)CC1 206242227 MWQPWLXMRQFWTJ-QGZVFWFLSA-N 416.478 1.230 0 50 HDAA COc1ccccc1CN1C[C@H](C(=O)N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)CC1=O 253400291 DUMYIMXIEWCZHY-NZSAHSFTSA-N 421.497 1.851 0 50 HDAA biogenic COc1cc2c(cc1OC)CN(C(=O)C[C@H]1NC(=O)N(Cc3ccco3)C1=O)CC2 409413825 UHQPOQAYHRUYJU-MRXNPFEDSA-N 413.430 1.692 0 50 HDAA COc1cccc2c1OCCCn1cc(nn1)CCC(=O)NCCCCNC2=O 1704317908 KMQYDUXZIPKHGA-UHFFFAOYSA-N 401.467 1.328 0 50 HDAA O=C(O)c1cc2c(nc1N1C[C@@H]3CN(Cc4ccns4)C[C@@]3(CO)C1)CCC2 1772805967 SAWXFRKZUBFXJF-XOBRGWDASA-N 400.504 1.656 0 50 HDAA Cc1ccc2c(c1)C(=O)NCCN(C(=O)c1ccccn1)CCCC(=O)NCCO2 1857671223 RAKIQWJUNVLVBF-UHFFFAOYSA-N 410.474 1.551 0 50 HDAA CCC(C)(C)NC(=O)CN1C[C@@H]2[C@H](CNC(=O)c3cnn(C)c3C)[C@H]3CC[C@]2(C1)O3 1857707857 NCJXIWDCJFLUOF-KCXPTXFHSA-N 417.554 1.243 0 50 HDAA C=CC(=O)NC[C@H](NC(=O)[C@H]1CCc2nnnn2CC1)c1ccc2ccccc2c1 1875386597 UYIYGFQUVICMMC-LPHOPBHVSA-N 404.474 1.939 0 50 HDAA COc1cc(C)ccc1CNC(=O)c1ccc2c(c1)CN([C@@H]1CCC(=O)NC1=O)C2=O 2325886594 BMOZSRSRORJPHK-GOSISDBHSA-N 421.453 1.695 0 50 HDAA COc1ccccc1N1CCN(C(=O)CCn2c(=O)[nH]c3ccccc3c2=O)CC1 2952154 DWODXAREIANFOY-UHFFFAOYSA-N 408.458 1.437 0 50 HDAA COc1ccc(F)cc1S(=O)(=O)N1CCC(C(=O)NCc2cccnc2)CC1 10302864 LJDIGEBHRSURJK-UHFFFAOYSA-N 407.467 1.946 0 50 HDAA Cn1cnnc1SCCNC(=O)c1cn(Cc2cccc(C(F)(F)F)c2)nn1 12584020 GJRCAWLVVXSVPG-UHFFFAOYSA-N 411.413 1.996 0 50 HDAA COc1ccc(CN2CCN(CCn3cc(C(=O)NC(C)C)nn3)CC2)cc1C 19938881 WGJKSRPCLNYEFK-UHFFFAOYSA-N 400.527 1.551 0 50 HDAA COc1cc(CN(C)CCn2ccnc2)ccc1OC[C@H](O)CN1CCOCC1 20149360 RPRJHVZQEQBHAJ-LJQANCHMSA-N 404.511 1.096 0 50 HDAA O=C(CN1C(=O)[C@H]2C=CC=C[C@@H]2C1=O)OCC(=O)c1ccc(Br)cc1 100346443 PPCRDERFHPIULC-KBPBESRZSA-N 404.216 1.902 0 50 HDAA C[C@H]1CN(c2ccc(CNC(=O)CN3C(=O)[C@@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)cn2)C[C@@H](C)O1 239654457 BNQNGENMONMRCX-GXXATYDOSA-N 424.501 1.119 0 50 HDAA COCCn1cnnc1[C@H](C)NC(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O 670439965 MAUFAEQOJMZNDY-VIFPVBQESA-N 407.780 1.636 0 50 HDAA O=C(N[C@@H]1C2CN3CCN(C2)CC1(c1ccccc1)C3)c1cc2c(nc1O)CCC2 828147127 SCXBHRRWKMMEJG-SSSUMRQXSA-N 404.514 1.573 0 50 HDAA CCc1ccc(CN2CCc3c(C(=O)N[C@H]4CCNC[C@@H]4O)csc3C2)nc1 1565529048 NFXCBPAOTBNJSG-OALUTQOASA-N 400.548 1.716 0 50 HDAA Cn1cnc(C(=O)N2CCC(N3C[C@H](COc4ccc(F)cc4)OCC3=O)CC2)c1 1857678288 LUMHPGSUBFORMN-GOSISDBHSA-N 416.453 1.470 0 50 HDAA Cc1cc(S(=O)(=O)NC(=O)[C@@H]2CNCCC2(F)F)sc1Br 2325852649 NTDHBGNBJDRAAU-ZETCQYMHSA-N 403.270 1.869 0 50 HDAA O=C(c1ccc(S(=O)(=O)N2CCCC2)cc1)N1CCN(c2ccccn2)CC1 2641660 CPZZFONHXOBEKV-UHFFFAOYSA-N 400.504 1.829 0 50 HDAA CCn1c(=O)c2cc(OC)c(OC)cc2n(CC(=O)Nc2ccc(F)cc2)c1=O 9935518 CIZHLLJDLZNFJO-UHFFFAOYSA-N 401.394 1.978 0 50 HDAA O=C(Cn1cc(NC(=O)c2ccc3c(c2)OCO3)cn1)NCCCOc1cccnc1 12246931 LOHHHOQNCRTOOV-UHFFFAOYSA-N 423.429 1.844 0 50 HDAA Cc1c(CN2CCc3c(c(C(=O)N[C@H](C)c4ccccc4)nn3CCO)C2)cnn1C 14534646 LODGEYBPLVHIIM-MRXNPFEDSA-N 422.533 1.967 0 50 HDAA COc1cccc(N2CCN(CC(=O)Nc3nc(C)c(C(=O)N(C)C)s3)CC2)c1 20343303 IIGMVDDQJGZMJR-UHFFFAOYSA-N 417.535 1.923 0 50 HDAA COc1cc(OC)cc(C(=O)N2CCN(c3cc(-n4ccc(C)n4)ncn3)CC2)c1 77137463 SOKGLNZJKWVVJT-UHFFFAOYSA-N 408.462 1.950 0 50 HDAA O=C(CN1CCC2(CC1)CN(CCOc1ccccc1)C(=O)O2)N1CCOCC1 77374936 XOEUOQJPYMDDKZ-UHFFFAOYSA-N 403.479 1.211 0 50 HDAA Cc1cn2cc(CNC(=O)c3ccc(CN4CC[C@H]5CNC[C@H]54)[nH]c3=O)nc2s1 77504947 WQWPPDKYUUYVJT-SUMWQHHRSA-N 412.519 1.116 0 50 HDAA Cc1ccc(C)c(NC(=O)Cn2c(=O)c(-c3noc(C)n3)c3n(c2=O)CCCC3)c1 169763910 NZTNAKWSHPQSDQ-UHFFFAOYSA-N 409.446 1.960 0 50 HDAA O=C(N[C@H]1C=CS(=O)(=O)C1)[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1 245256115 NUGPLWYJTOUZIV-JYJNAYRXSA-N 412.533 1.198 0 50 HDAA Cn1c(S)nnc1[C@H]1CCCN(C(=O)c2ccc(CN3CCOCC3)cn2)C1 252488646 IWDBUXPBFSSFEW-HNNXBMFYSA-N 402.524 1.351 0 50 HDAA CNC(=O)c1ccc(S(=O)(=O)NCc2noc(-c3c(F)cccc3F)n2)cc1 1506398851 YDWQTDMTZKWFHW-UHFFFAOYSA-N 408.386 1.853 0 50 HDAA COc1ccc(S(N)(=O)=O)cc1C(=O)N1CCC[C@@H](OCc2ccccn2)C1 1506423379 IBCXNMUULFFTIQ-OAHLLOKOSA-N 405.476 1.559 0 50 HDAA O=C(Cc1ccc(F)c(F)c1)NC[C@H]1CCCN(C(=O)Cn2ccc(=O)cc2)C1 1506431233 GREIVGIFXYNURV-MRXNPFEDSA-N 403.429 1.724 0 50 HDAA Cc1cc(C[C@@H]2CN(Cc3cccc(OCCN4CCOCC4)c3)C[C@H]2O)on1 1529187510 UKHDOYIWJRSGFM-DENIHFKCSA-N 401.507 1.729 0 50 HDAA O=C(c1cnc[nH]1)N1C[C@@H]2[C@H](CNS(=O)(=O)c3ccc(F)cc3)[C@H]3CC[C@]2(C1)O3 1704298506 IIWCJOUKVYSYEC-BUIAKZPTSA-N 420.466 1.147 0 50 HDAA O=C(c1cnc(N2CCOCC2)nc1)N1C[C@@H](O)[C@H](Cc2ccnc3ccccc23)C1 1704348519 WYANYVLKSQGLBE-DYESRHJHSA-N 419.485 1.537 0 50 HDAA CCOC(=O)[C@@]12CC[C@H](N3CCOCC3)C[C@H]1CCN(c1nccnc1OC)C2 1857682142 JFXSNPWSJWRJBG-LLGFUMIMSA-N 404.511 1.746 0 50 HDAA C[C@H](N)c1nc(-c2ccccc2)nn1CC(=O)NC1CCN(c2cccnn2)CC1 1857693049 GCCNJXGHYDQWQE-HNNXBMFYSA-N 406.494 1.540 0 50 HDAA O=C1[C@H]2CC=CC[C@@H]2C(=O)N1Cc1nc(CC(=O)N(CC(F)(F)F)C2CC2)no1 1875265114 VUWVQDKNCWRJEV-RYUDHWBXSA-N 412.368 1.617 0 50 HDAA CS(=O)(=O)N(CC[C@H]1CCS(=O)(=O)C1)c1cccc(N2CCCC2=O)c1 2356154797 KCPBXLGIGWMSBR-AWEZNQCLSA-N 400.522 1.404 0 50 HDAA O=C(OCc1ccc2c(c1)OCO2)c1cccc(S(=O)(=O)N2CCOCC2)c1 1452042 OVHWQVBBWJEBDT-UHFFFAOYSA-N 405.428 1.793 0 50 HDAA CON(C)c1nc(OCCNC(=O)COc2ccc(Cl)cc2C)nc(N(C)C)n1 2950713 JTWKFMAKKVDUKY-UHFFFAOYSA-N 424.889 1.471 0 50 HDAA O=C1NCCN(C(=O)Nc2ccccc2)[C@@H]1CC(=O)N1CCN(c2ccccc2)CC1 9096629 NFMZGTWGPZDLRN-HXUWFJFHSA-N 421.501 1.758 0 50 HDAA Cn1nnnc1SCCNC(=O)[C@H]1CCC(=O)N(Cc2ccc(Cl)cc2)C1 14963670 NYTLMFDCXKAFCS-ZDUSSCGKSA-N 408.915 1.511 0 50 HDAA CN(CCc1cnn(C)c1)Cc1cnc(S(C)(=O)=O)n1Cc1ccccc1F 19535170 FJWZYMOIIYEYAW-UHFFFAOYSA-N 405.499 1.882 0 50 HDAA COc1ccc(S(=O)(=O)NCCNc2ccc(-n3nc(C)cc3C)nn2)cc1 19924114 BIGRDDVOZWZDPL-UHFFFAOYSA-N 402.480 1.678 0 50 HDAA CCn1cc(S(=O)(=O)N2CCN(CC(=O)Nc3ccccc3OC)CC2)c(C)n1 36007141 AADOEXAWQSQSHD-UHFFFAOYSA-N 421.523 1.165 0 50 HDAA O=C(Cc1cccnc1)N1CCC(N2CCC[C@@H](C(=O)N3CCOCC3)C2)CC1 71639426 MGSUCTFTOLEQSV-LJQANCHMSA-N 400.523 1.186 0 50 HDAA Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C(=O)O)CC2)cc1C 239377849 ODCHDDDWJGNJAS-PBWTXFEYSA-N 418.515 1.659 0 50 HDAA O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)Nc1cccc(-c2nn[nH]n2)c1 875164733 MEZOGRCBBVALEH-HXUWFJFHSA-N 403.402 1.199 0 50 HDAA CN(C)c1ncc2c(n1)[C@@]1(CCCN(C(=O)Cc3cccc(OCCN)c3)C1)CC2 2356154405 UXWVXWHHCDTCLX-QHCPKHFHSA-N 409.534 1.929 0 50 HDAA Cn1nnc(NC(=S)NC(=O)c2cc(I)ccc2Cl)n1 1312358 WXVZEQMMLVMXDD-UHFFFAOYSA-N 422.639 1.595 0 50 HDAA Cc1c(C)n2c3c(=O)n(Cc4ccccc4Cl)c(=O)n(C)c3nc2n1CCO 10233669 IVSXQGPCLGGMDG-UHFFFAOYSA-N 401.854 1.460 0 50 HDAA CCOC(=O)[C@@]1(Cc2cccc(OC)c2)CCCN(C(=O)C2=NNC(=O)CC2)C1 12578568 AVXUBFZMGZANTE-OAQYLSRUSA-N 401.463 1.676 0 50 HDAA CN1CCN(C[C@H]2C[C@@H](C(=O)N3CCCC3)CN(Cc3ccc(O)cc3)C2)CC1 23352402 KDCODICYOSUSBW-NHCUHLMSSA-N 400.567 1.700 0 50 HDAA C[C@H](N)C(=O)N1CCc2ccc(S(=O)(=O)NCCOc3ccccc3)cc2C1 77566319 CEGGWADBCSTKJE-HNNXBMFYSA-N 403.504 1.276 0 50 HDAA COc1cc(N2C[C@H](C(=O)N[C@@H](CO)c3ccccc3)CC2=O)cc(OC)c1OC 230211616 WEADIGDTLMCEJD-WBVHZDCISA-N 414.458 1.915 0 50 HDAA CC1(C)CC[C@H](NC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)c2ccccc21 241564225 OSJZRDRWLHUKIU-MPGHIAIKSA-N 404.532 1.951 0 50 HDAA CO[C@@H]1CC[C@@H]2OCCN(c3ncnc4c3ncn4CC3(CO)CCOCC3)[C@H]2C1 888097590 KQDJHUNOTBRZPI-IKGGRYGDSA-N 417.510 1.388 0 50 HDAA Cn1ccnc1[C@]1(CNC(=O)c2cc(-c3ccc(Cl)cc3)c[nH]2)NC(=O)NC1=O 1775985514 DUVCOXHFXOQLMV-IBGZPJMESA-N 412.837 1.533 0 50 HDAA Cc1cc(=O)cc(C(=O)NC[C@H]2CN(CC3CCN(CC4CC4)CC3)C(=O)CO2)o1 1857672011 DINOHAXMZQRYOI-IBGZPJMESA-N 417.506 1.027 0 50 HDAA O=C1C[C@@H]2CC[C@H](CNC(=O)c3cc(F)ccc3OCCN1)N2Cc1cnc[nH]1 1857709007 ZDNZINRCXMIWPP-JKSUJKDBSA-N 401.442 1.211 0 50 HDAA O=C(COc1ccccc1)N1CCC2(CCc3c(O)nc(N4CCOCC4)nc32)CC1 1857712651 KRPOFDDIPYGSAO-UHFFFAOYSA-N 424.501 1.904 0 50 HDAA COC(=O)N1CCN(C[C@@]2(O)CCCN(C(=O)c3ccc4c(c3)CCCO4)C2)CC1 1857728091 NDSGZUACRMEDHQ-QFIPXVFZSA-N 417.506 1.363 0 50 HDAA CC(=O)N[C@@](C)(C(=O)NCc1ccc(CN)cc1)c1ccc(S(C)(=O)=O)cc1 1875340602 KBEFPISNWXXPCG-HXUWFJFHSA-N 403.504 1.217 0 50 HDAA CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)NCC(C)(C)C(=O)N2CCCC2)C1=O 1875347398 NOHDCQVYEUZDPR-QFIPXVFZSA-N 414.506 1.609 0 50 HDAA O=C(N[C@H](Cc1ncc[nH]1)c1ccccc1)C(=O)N1CCN(c2ccncc2)CC1 2325708336 BKAJUDCVGJESBF-LJQANCHMSA-N 404.474 1.554 0 50 HDAA 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Cc1sc(-n2cnnn2)c(C(=O)N[C@@H]2CCCN(C(=O)c3ccco3)C2)c1C 828136799 DGILQQPURJMEGW-CYBMUJFWSA-N 400.464 1.968 0 50 HDAA CSCC(=O)N[C@]1(C)CCOC2(CCN(C(=O)c3cccnc3C)CC2)[C@H]1O 1704313205 IGKSNSQLHNFQOY-RBUKOAKNSA-N 407.536 1.384 0 50 HDAA CCCCN1C[C@H]2CN(c3nc(N)c4cc(OC)c(OC)cc4n3)C[C@]2(CO)C1 1772805454 LBCCIASQDZSOGV-QKKBWIMNSA-N 401.511 1.760 0 50 HDAA CCN(C)CC(=O)N1CCC[C@]2(C1)CN(C(=O)c1ccc(F)c(C)c1)CC[C@H]2O 1857702818 PWAXZMSTJXXOCD-KNQAVFIVSA-N 405.514 1.901 0 50 HDAA CS(=O)(=O)c1ccc(CC(=O)N2CCO[C@@]3(CCN(CC4CCC4)C3)C2)cc1 1857704702 BWUZOCMOAVREFB-OAQYLSRUSA-N 406.548 1.736 0 50 HDAA O=C(CCC(=O)N1CCN2[C@@H](c3ccccc3)COC[C@H]2C1)Nc1nncs1 1875245043 HQKSCUFYHWDRJX-HZPDHXFCSA-N 401.492 1.541 0 50 HDAA CC/C=C/C=C/C(=O)N[C@H]1CO[C@@H]2[C@@H](NC(=O)c3cccc4c3OCCN4)CO[C@H]12 2325872408 WGSCQRXUQCVFLO-MVAVBCBASA-N 413.474 1.394 0 50 HDAA CC[C@@H]1[C@H](C(=O)N2CCC3(CC2)OCCc2sccc23)C[C@@H]2CNCC(=O)N21 2356151623 QICDWIZLMPVPMJ-BFYDXBDKSA-N 403.548 1.737 0 50 HDAA CCOCCn1c(SCC(=O)Nc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C 1794374 RUKAUPMKGAOXSG-UHFFFAOYSA-N 403.464 1.191 0 50 HDAA CCOC(=O)C1CCN(C(=O)C[C@@H]2C(=O)NCCN2CCc2ccccc2)CC1 11874748 GXBRHBHWENACAU-LJQANCHMSA-N 401.507 1.221 0 50 HDAA COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NC2Cc3ccccc3C2)c(OC)c1 12458503 FRTMQADDLCBIKF-OAQYLSRUSA-N 423.513 1.678 0 50 HDAA CCOc1ccccc1CN1CCc2nnc([C@@H](NS(C)(=O)=O)C(C)C)n2CC1 14992005 SXUGFUANLLCQMM-IBGZPJMESA-N 421.567 1.981 0 50 HDAA COc1ccc(S(=O)(=O)NC[C@H]2CCCN(C(=O)Cc3cccnc3)C2)cc1 15068556 WXVOAOLJRHXYBS-QGZVFWFLSA-N 403.504 1.850 0 50 HDAA O=C([C@@H]1[C@@H]2C=C[C@@]3(CN(CCOc4ccccc4)C(=O)[C@@H]13)O2)N1CCSCC1 77285540 UVBNGOACABGAKR-OOSNJVJTSA-N 400.500 1.423 0 50 HDAA O=C(NCCc1cnccn1)[C@H]1CCCN(C2CCN(Cc3ccncc3)CC2)C1 82108415 OKXQJTBHZFZVGM-FQEVSTJZSA-N 408.550 1.907 0 50 HDAA Cc1cc(NS(=O)(=O)c2ccc(NC(=O)[C@@H]3[C@H](C(=O)O)[C@H]4CC[C@H]3O4)cc2)no1 239009600 AXMOQMWHHSRTLD-LUYZLQTOSA-N 421.431 1.601 0 50 HDAA CC(C)C[C@@H](CO)NC(=O)C[C@H]1N=C(O)N(CCc2c[nH]c3ccccc23)C1=O 252540547 PLHWNPJRZZHBOW-MAUKXSAKSA-N 400.479 1.749 0 50 HDAA CN1C(=O)C[C@H](C(=O)N2CCC[C@@H](c3nc(=O)[nH][nH]3)C2)[C@H]1c1cccc(Cl)c1 253405117 YJPXQEBJFDDKOA-IVMMDQJWSA-N 403.870 1.677 0 50 HDAA NS(=O)(=O)c1ccc(CNC(=O)[C@@H](Sc2cnn[nH]2)c2ccccc2)cc1 334160578 HWAUZTJOBUJVAR-INIZCTEOSA-N 403.489 1.602 0 50 HDAA Cc1cc(OCC(=O)NC(N)=O)ccc1NS(=O)(=O)c1ccc2c(c1)COC2 435504808 KPYDEFJOEIHCPN-UHFFFAOYSA-N 405.432 1.400 0 50 HDAA CNC(=O)c1ccc(S(=O)(=O)NC[C@H](c2cccnc2)N2CCCCC2)cc1 1506424361 BYBKRDMOBGHZBH-LJQANCHMSA-N 402.520 1.947 0 50 HDAA CCc1nnc(N2C[C@H](C(=O)NCCc3ccc(OC)c(OC)c3)CC2=O)s1 1857727130 LQCIPXGPLUPMAG-CYBMUJFWSA-N 404.492 1.830 0 50 HDAA NC(=O)C1(NC(=O)[C@H]2CC(=O)N(c3nnc(Cc4ccccc4)s3)C2)CCCC1 1857735904 JPXHDXZGPWWUPS-AWEZNQCLSA-N 413.503 1.396 0 50 HDAA O=S(=O)(N=c1nc[nH]n1-c1ncccn1)c1ccc(Cl)cc1Br 1875313034 LXIFJOSEIVUZLG-UHFFFAOYSA-N 415.660 1.696 0 50 HDAA C=CC(=O)N[C@@H](CNC(=O)c1cc2n(n1)C[C@H](C)NC2=O)c1ccc(C(C)C)cc1 1875386627 VTKOAWSUOYCKMU-KSSFIOAISA-N 409.490 1.912 0 50 HDAA COC(=O)c1ccccc1NC(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O 647814 QWLPDGCKBSOHDZ-UHFFFAOYSA-N 422.459 1.895 0 50 HDAA COc1ccc(NC(=O)[C@H](CCS(C)(=O)=O)N2C(=O)c3ccccc3C2=O)cc1 1109155 DIDAKQDVLVBVBV-KRWDZBQOSA-N 416.455 1.733 0 50 HDAA CCn1c(CC(=O)Nc2ccc(F)cc2)nnc1SCC(=O)N1CCOCC1 6702969 TYJOBAUDQJQJMJ-UHFFFAOYSA-N 407.471 1.569 0 50 HDAA COCCC(=O)N[C@@H](C)c1nnc2n1CCN(Cc1cccc(OC)c1OC)CC2 12034381 ZPMMAGVXNQXIAW-HNNXBMFYSA-N 417.510 1.567 0 50 HDAA CCOC(=O)N1CCN(C(=O)CN2Cc3cc(OC)ccc3O[C@H](CC)C2)CC1 12278987 IAMREJDGGLVOGM-QGZVFWFLSA-N 405.495 1.969 0 50 HDAA COc1cccc(CN2CCNC(=O)[C@H]2CC(=O)NCCCOC(C)C)c1OC 12430057 ZHEIQSIVKBMHLZ-QGZVFWFLSA-N 407.511 1.326 0 50 HDAA Cc1cc(N2CCN(C(=O)C[C@H]3C(=O)NCCN3Cc3cccnc3)CC2)cc(C)n1 15064750 CTYGAMGULONEOT-NRFANRHFSA-N 422.533 1.133 0 50 HDAA COc1ccccc1[C@@H]1CCCN1C(=O)CCCn1nnnc1CN1CCOCC1 20906435 NJOIFXVRTMBEKG-SFHVURJKSA-N 414.510 1.658 0 50 HDAA COCCCNc1nc2nonc2nc1N1CCN(CCOc2ccccc2)CC1 55211818 OPLHFVNEXYMQRV-UHFFFAOYSA-N 413.482 1.662 0 50 HDAA CS(=O)(=O)N1CCC(C(=O)Nc2ccccc2C(=O)NCc2cccnc2)CC1 61238587 ZNKYMCSGWNVSBP-UHFFFAOYSA-N 416.503 1.622 0 50 HDAA CNc1nc(C)cc(NC[C@@H]2CN(CC3CCN(CC4CC4)CC3)C(=O)CO2)n1 299779893 SASKVWKPFAHYIV-GOSISDBHSA-N 402.543 1.588 0 50 HDAA Cc1cccc(CC(=O)N2CCC[C@H](n3ncc(N4CCN(C)CC4)cc3=O)C2)c1 328607477 WBQQHYCQVYLNRJ-FQEVSTJZSA-N 409.534 1.710 0 50 HDAA Cc1occc1C(=O)NC1CCN(C(=O)c2cccc([C@]3(C)NC(=O)NC3=O)c2)CC1 425921299 LCTIKJWFJVCUJO-QFIPXVFZSA-N 424.457 1.677 0 50 HDAA CC(=O)Nc1c[nH]nc1[C@H]1CCCN(C(=O)NCc2n[nH]cc2Br)C1 1320789289 NJEDXGQGKBEVFO-JTQLQIEISA-N 410.276 1.943 0 50 HDAA Cc1ccc2c(c1)C(=O)NCCN(C(=O)c1ncoc1C)CCCC(=O)NCCO2 1857707711 HNMFLNIPSDZNBJ-UHFFFAOYSA-N 414.462 1.452 0 50 HDAA Cc1cc(C)n(CC(=O)N2CCO[C@@H](CN3CCCCC3)[C@@H]2c2cnn(C)c2)n1 1857738144 STXVPHKSLJVXLT-FPOVZHCZSA-N 400.527 1.688 0 50 HDAA C[C@H]1[C@H](NC(=O)C(=O)Nc2cccc(C(=O)NCc3ccccn3)c2)CCCN1C 1875259164 ZMKKJDRVTSYZDX-HNAYVOBHSA-N 409.490 1.549 0 50 HDAA O=C(O)c1cncc(-n2cc(Cn3cc(CNC(=O)c4cncc(F)c4)cn3)nn2)c1 1875325495 ZMRTWEQCZZSCDH-UHFFFAOYSA-N 422.380 1.069 0 50 HDAA CN(C)c1cccc(C(=O)N[C@@H]2CCC[C@@H]2NC(=O)CC[C@H]2CCC(=O)NC2)c1 1875344146 FZNXQYOLOBAOQX-AYOQOUSVSA-N 400.523 1.826 0 50 HDAA CC[C@@](C)(CN=c1cc(NC[C@](C)(CC)N2CCOCC2)nc[nH]1)N1CCOCC1 2325740693 APZFNVBGZKVZGF-VXKWHMMOSA-N 420.602 1.724 0 50 HDAA CCN1CCC[C@H](C(=O)N2CCCCC[C@@H](NC(=O)c3cncc(C(N)=O)c3)C2)C1 2325864608 TWAPUHPOFVOUSR-QFBILLFUSA-N 415.538 1.413 0 50 HDAA O=C(c1cc(O)nc(O)n1)N1CC[C@H]([C@@H]2CCCN2C(=O)c2c[nH]c3nccc-3c2)C1 2332239545 ISDXWLSPAAMYOT-BBRMVZONSA-N 422.445 1.483 0 50 HDAA O=C1c2sc3nncc(=O)n3c2C(=O)N1c1ccc(I)cc1 947636 QOTBDBNSVZNYCH-UHFFFAOYSA-N 424.179 1.556 0 50 HDAA O=c1/c(=C/c2cccnc2)sc2n1CN(c1ccc(Br)cc1)CN=2 1137448 PMFXTJPODGQDLX-NVNXTCNLSA-N 401.289 1.951 0 50 HDAA CCOC(=O)[C@H]1[C@H]2c3ccccc3O[C@]1(C)N=c1s/c(=C/c3ccoc3)c(=O)n12 4501440 UGPLQSYPQIYJQW-PDKSUUHZSA-N 410.451 1.842 0 50 HDAA O=C(COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1)N1CCOCC1 4866167 UAKFXWUKEBEKHZ-UHFFFAOYSA-N 402.472 1.676 0 50 HDAA CCN(CC)C[C@@H](O)COc1ccc(CNCCCN2CCCC2=O)cc1OC 12701666 HFTLXCBDSGGUAF-LJQANCHMSA-N 407.555 1.879 0 50 HDAA COc1ccc(CN(C(=O)/C=C/C(=O)O)[C@H]2CC(=O)N(c3ccccc3)C2=O)cc1 18045186 RLEJWWMLEJMKFX-DXRVJIQQSA-N 408.410 1.997 0 50 HDAA COCCn1c(CN(C)C[C@H]2CCCN2C)cnc1S(=O)(=O)CC(C)(C)C 20453726 BOKHOMCWUZZBGI-MRXNPFEDSA-N 400.589 1.875 0 50 HDAA COc1cccc([C@H]2CCCN2C(=O)CCn2nnnc2CN2CCOCC2)c1 20599391 QRJDMINEVMIJRV-GOSISDBHSA-N 400.483 1.268 0 50 HDAA CN(C)S(=O)(=O)c1ccc(N2C[C@@H](C(=O)NCc3ccncc3)CC2=O)cc1 36358754 MUXVHKIVVMNWRS-HNNXBMFYSA-N 402.476 1.001 0 50 HDAA Cc1ccc(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N(C)Cc3cnn(C)c3)[C@H]4C2=O)cc1C 77378964 JFRPNKQQBAAFHQ-XARGGIHNSA-N 420.513 1.978 0 50 HDAA Cc1nnnn1[C@@H](Cc1cccc(F)c1)C(=O)N1CCCN(C[C@H]2CCCO2)CC1 252452342 DCCVNCSKNWXBNJ-UXHICEINSA-N 416.501 1.618 0 50 HDAA O=C(C[C@@H]1N=C(O)N(Cc2ccc3c(c2)OCO3)C1=O)N[C@@H](CO)c1ccccc1 252533075 FURIWUYZBQLDDN-HOTGVXAUSA-N 411.414 1.280 0 50 HDAA COc1ccc(CCN2C(=O)[C@@H](CC(=O)Nc3nccs3)N=C2O)cc1OC 252536598 IYAHUXICPPDWEL-GFCCVEGCSA-N 404.448 1.856 0 50 HDAA Cc1noc(C)c1CN1CCc2c(C(=O)N3CCC(O)(CO)CC3)csc2C1 426441985 RXMHVSXLNABUEG-UHFFFAOYSA-N 405.520 1.871 0 50 HDAA COc1cc(CN)ccc1Oc1ccc(C(=O)N[C@H]2CNCC[C@H]2O)cc1OC 1857696353 WZEYBYFFDGPSPI-JKSUJKDBSA-N 401.463 1.407 0 50 HDAA CCn1cc(/N=c2/scc(-c3cnnn3C)n2CCOC[C@@H]2CCOC2)cn1 1875255807 WEGOSXKRUXENAC-DCKJRJMFSA-N 403.512 1.847 0 50 HDAA COc1ccc(C(=O)/C=c2/nc(O)/c(=C\c3cccc(OCC(=O)O)c3)s2)cc1 1875258116 OQNCALGLUXQELA-PAUOAVIZSA-N 411.435 1.813 0 50 HDAA O=C(NC[C@@H]1CC2(CCNCC2)C(=O)O1)c1c[nH]c2ncc(Br)cc12 1875358845 LOMJNQFYMQDGCY-NSHDSACASA-N 407.268 1.741 0 50 HDAA CC(C)(Oc1cccc(-c2nc(=O)o[nH]2)c1)C(=O)N1CCOC2(CCOCC2)C1 2325850122 MNEALWIDEPMSHU-UHFFFAOYSA-N 403.435 1.595 0 50 HDAA Cc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)N2CCC(OC(F)(F)F)CC2)o1 2356136963 CWXBCTFUWOQUSR-HNNXBMFYSA-N 403.401 1.806 0 50 HDAA O=C1c2ccc(Oc3ccc4c(c3)C(=O)N(CCCO)C4=O)cc2C(=O)N1CCCO 2154265 OKOJUPPPUBUWTB-UHFFFAOYSA-N 424.409 1.436 0 50 HDAA CSCC[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O 5759681 CHDYFPCQVUOJEB-ULQDDVLXSA-N 409.552 1.410 0 50 HDAA biogenic COc1ccc(F)c(CN2CCC[C@@]3(CCN(C(=O)CCn4cnnn4)C3)C2)c1 12468540 UXAJZBLLPKLFCI-HXUWFJFHSA-N 402.474 1.726 0 50 HDAA CCS(=O)(=O)N1CCC[C@H](C(=O)NCc2ccc(OC3CCN(C)CC3)cc2)C1 67601947 PVTMBTQHKYOSTH-SFHVURJKSA-N 423.579 1.838 0 50 HDAA O=C(CCn1cnnn1)N1CCC2(CC1)CC(=O)N(Cc1cc(F)cc(F)c1)C2 95362588 DPZVEXSWJFRQOB-UHFFFAOYSA-N 404.421 1.383 0 50 HDAA COc1ccc(C(=O)COC(=O)[C@H](C)N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@H]3C2=O)cc1 245311708 QOIYRHHYTUAKSA-HJIAOOCYSA-N 409.438 1.863 0 50 HDAA COc1ccc(N2C(=O)[C@H](CC(=O)NC3CCN(C(=O)C4CC4)CC3)N=C2O)cc1 252493986 NIAFLROBJKFJJN-KRWDZBQOSA-N 414.462 1.232 0 50 HDAA Cc1noc(CNC(=O)c2ccc(Br)c(S(=O)(=O)N(C)C)c2)n1 729329196 YKDSSHMBJIOWGZ-UHFFFAOYSA-N 403.258 1.321 0 50 HDAA COc1cccc2c1nc(NC(=O)CN1C(=O)N[C@@](C)(c3ccccc3)C1=O)n2C 770184886 YNLNJNYJYIPCPW-NRFANRHFSA-N 407.430 1.988 0 50 HDAA C[C@@H]1CN(C(=O)c2cccn2Cc2ccncc2)CCN1c1nccn2cnnc12 771660924 YJCLUYFXMXNUEJ-MRXNPFEDSA-N 402.462 1.720 0 50 HDAA CN(C(=O)c1cccnc1SCCc1ccccc1)[C@H]1CS(=O)(=O)C[C@@H]1O 1615696710 HAWCBKBCEDVNQE-IRXDYDNUSA-N 406.529 1.646 0 50 HDAA CN(C)c1nc(N(C)CCO)c2c(n1)C1(CC2)CCN(C[C@H]2CCCOC2)CC1 1857686530 AFYTYWYIWDIGAV-QGZVFWFLSA-N 403.571 1.678 0 50 HDAA Cc1cc(C(=O)N[C@@H]2CS(=O)(=O)[C@H]3CN(C(=O)Nc4ccccc4)C[C@@H]23)no1 1857686562 BUNPOIPPXVEVIY-IMJJTQAJSA-N 404.448 1.042 0 50 HDAA CCOC(=O)[C@H]1C(=O)N=C(N2CCN(Cc3ccccc3)CC2)N[C@H]1c1ccco1 2357390 ZYZSZLFMTCDSCE-MOPGFXCFSA-N 410.474 1.804 0 50 HDAA COc1ccc(OC)c(S(=O)(=O)N2CCC[C@H](C(=O)NCc3cccnc3)C2)c1 4413976 OXXFEMBLAKXUOZ-INIZCTEOSA-N 419.503 1.816 0 50 HDAA CCOC(=O)[C@@H]1CS[C@H](CC(=O)Nc2ccc(Br)cc2)C(=O)N1 9303596 WOUHOLQDEWGYFE-NWDGAFQWSA-N 401.282 1.941 0 50 HDAA COc1ccc(CN2CCCN(C=O)CC2)cc1OC[C@H](O)CN1CCCCC1 12051262 AWQYFUHXSSOWOY-HXUWFJFHSA-N 405.539 1.585 0 50 HDAA CC(C)C[C@@H]1NC(=O)[C@H]2CN(S(=O)(=O)c3cccc4ccccc34)CCN2C1=O 14533617 RVUOQOSEINHURR-ZWKOTPCHSA-N 415.515 1.586 0 50 HDAA CCN(c1ccc(C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)cc1)S(C)(=O)=O 16648248 PQXVZNVYAWQUKU-UHFFFAOYSA-N 402.476 1.915 0 50 HDAA O=C(NCCc1nnc2n1CCN(Cc1c(F)cccc1F)CC2)[C@@H]1CCCO1 20452248 IRNODQMSIXBZCI-KRWDZBQOSA-N 405.449 1.452 0 50 HDAA CCc1nnc(CN(C)C(=O)[C@@H]2[C@@H]3C=C[C@@]4(CN(c5ccc(F)cc5)C(=O)[C@@H]24)O3)o1 77456619 ADBUETMCDNZLBO-JPCHKZQCSA-N 412.421 1.716 0 50 HDAA O=C([C@@H]1[C@@H]2C=C[C@@]3(CN(Cc4cccnc4)C(=O)[C@@H]13)O2)N1CC(Oc2ccccc2)C1 77485430 UPUWHCJZIYVYAU-BLRYILKCSA-N 417.465 1.653 0 50 HDAA Cc1cc(C(=O)N2C[C@H](CO)[C@H](CN3CCN(C)CC3)C2)c2ccc(F)cc2n1 95386722 RYUDQNKADYYXOC-IAGOWNOFSA-N 400.498 1.610 0 50 HDAA CC1CCN(Cc2nnnn2CCCC(=O)N[C@H]2C(=O)N(C)c3ccccc32)CC1 102608272 PKXAMXQRGNUZOL-HXUWFJFHSA-N 411.510 1.519 0 50 HDAA CC(C)(C)S(=O)(=O)N1CCC(NC(=O)CNC(=O)c2ccc3c(c2)CCC3)CC1 225422187 JEUZGLVXDYNHOY-UHFFFAOYSA-N 421.563 1.614 0 50 HDAA COc1cccc(C(=O)COC(=O)[C@H](C)N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@H]3C2=O)c1 239433107 XFJYMHJSTYWZOL-HJIAOOCYSA-N 409.438 1.863 0 50 HDAA COC(=O)c1cn(C2CCN(CC(=O)NCc3ccccc3)CC2)cc2c(=O)[nH]nc1-2 263588235 QQFHDBOLHCLCCB-UHFFFAOYSA-N 423.473 1.416 0 50 HDAA Cn1cc(CN2CCC(N3C[C@@H](COc4ccc(F)cc4)OCC3=O)CC2)cn1 299778703 HGHRLLUTCJXQQN-FQEVSTJZSA-N 402.470 1.830 0 50 HDAA CS(=O)(=O)c1cccc(S(=O)(=O)N2CCC[C@H](N3CCCCC3=O)C2)c1 732814522 GQVVRCNBEYTTSQ-AWEZNQCLSA-N 400.522 1.256 0 50 HDAA CC(C)c1nc(CN2C[C@@H]3CN(C(=O)Cn4cccn4)C[C@]3(CN(C)C)C2)co1 1775979408 HTDZABYCNUOUIJ-UTKZUKDTSA-N 400.527 1.517 0 50 HDAA O=C(Cn1nc2n(c1=O)CCCCC2)N1CC[C@](O)(Cc2ccc(Cl)cc2)C1 1857530651 VNTITXLQOYCECV-FQEVSTJZSA-N 404.898 1.631 0 50 HDAA CC[C@@H]1[C@H](C(=O)NCCc2ccccn2)C[C@@H]2CN(C3CCOCC3)CC(=O)N21 1857692629 NDQSFJZUYWRYGE-VAMGGRTRSA-N 400.523 1.231 0 50 HDAA COc1cccc(N2C(=O)C(=CN[C@H]3CCS(=O)(=O)C3)c3ccccc3C2=O)c1 2082940933 AUNDUBDZLSYSME-AWEZNQCLSA-N 412.467 2.000 0 50 HDAA O=C1CC[C@@H](N2Cc3ccc(C(=O)Nc4cccc5c4CCN5)cc3C2=O)C(=O)N1 2325896641 CCKULRVUKMKRKU-GOSISDBHSA-N 404.426 1.668 0 50 HDAA Cc1nonc1OCC(C)(COc1nonc1C)NS(=O)(=O)c1ccccc1 2838016 GIKXFNICNOJDPF-UHFFFAOYSA-N 409.424 1.264 0 50 HDAA COCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(Br)c(O)c(OC)c1 4142341 VDCIWJUHJFHLJT-ZDUSSCGKSA-N 415.240 1.981 0 50 HDAA Cc1cc(C)c(S(=O)(=O)NCCO)c(C)c1N(C)S(=O)(=O)c1ccccc1 4291787 PNNYFZNVLGYMRU-UHFFFAOYSA-N 412.533 1.708 0 50 HDAA CCOc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)N(C)Cc2nonc2C)cc1 11947898 BYJLFJAPFXVGSC-SFHVURJKSA-N 401.467 1.126 0 50 HDAA COc1cc(C)c(CN2CCC[C@H](n3cc(C(=O)NCCCO)nn3)C2)cc1C 12281285 IVGGMYMPTBPXRU-SFHVURJKSA-N 401.511 1.853 0 50 HDAA O=C1N[C@H](Cc2ccc(O)cc2)C(=O)N2CCN(C(=O)c3cccc(Cl)c3)C[C@H]12 14538828 WSADDHMGQOGMGD-QZTJIDSGSA-N 413.861 1.440 0 50 HDAA Cc1c(CN2CCC3(CC2)C(=O)N(CCN(C)C)C(=O)N3CCC(C)C)cnn1C 14540367 CQMHCGQYPKQSLX-UHFFFAOYSA-N 418.586 1.935 0 50 HDAA Nc1cc(C(F)(F)F)c(-c2cc(N3CCOCC3)nc(N3CCOCC3)n2)cn1 43154039 CWHUFRVAEUJCEF-UHFFFAOYSA-N 410.400 1.813 0 50 HDAA investigational CN1CCC(Oc2ccc(NC(=O)C3CCN(S(=O)(=O)N(C)C)CC3)cc2)CC1 67630276 QJAGLBNFZYTELY-UHFFFAOYSA-N 424.567 1.617 0 50 HDAA CC(C)NC(=O)[C@@H]1C[C@H](N)CN1C(=O)c1cc2c(C(F)(F)F)nn(C)c2s1 67934358 SFEJFHKPKOILIZ-WPRPVWTQSA-N 403.430 1.720 0 50 HDAA COc1ccc(OC2CCN(C(C)=O)CC2)c(C(=O)NCCc2nccn2C)c1 95508214 ZDGDTEPUTAMJMI-UHFFFAOYSA-N 400.479 1.791 0 50 HDAA COC(=O)c1cc(NC(=O)COC(=O)C(=O)N2CCC[C@H](C)C2)cc(C(=O)OC)c1 225840850 HPSYAIBOKVLREK-LBPRGKRZSA-N 420.418 1.000 0 50 HDAA CC[C@H](C)N1C(=O)[C@H]2[C@H](C1=O)[C@]1(N[C@H]2[C@H](C)O)C(=O)Nc2c(Cl)cc(C)cc21 245255902 MHUDSBSAPUUZHC-UNDAKJRMSA-N 405.882 1.548 0 50 HDAA O=C1NC(=O)[C@]2(CCCN(CC(=O)N3Cc4ccccc4[C@H](c4ccccc4)C3)C2)N1 434793703 MBUFVDPTFAYZDV-GBXCKJPGSA-N 418.497 1.835 0 50 HDAA CS(=O)(=O)c1cccnc1CNC(=O)[C@H](c1ccccc1F)N1CCOCC1 489627470 HPWOECNLJYHZPS-SFHVURJKSA-N 407.467 1.314 0 50 HDAA C[C@@H](C(=O)N1CCCN(S(=O)(=O)N2CCCC2)CC1)n1cnc2ccccc21 952963993 AUVQCOODWMNAPR-INIZCTEOSA-N 405.524 1.472 0 50 HDAA CC(C)c1nc(C(=O)N2CCC(CNC(=O)c3ccc(=O)n(C)n3)CC2)cs1 1506426783 UWEHRRKLHQTDQK-UHFFFAOYSA-N 403.508 1.642 0 50 HDAA CCCO[C@@H]1CC[C@H](C(=O)NCc2cnn(C)c2)C[C@H]1NC(=O)c1cc(C)on1 1857692455 FQNWVAIUJZIIDA-LZLYRXPVSA-N 403.483 1.727 0 50 HDAA O=C(Cc1cccnc1)NCc1cnc2c(c1)CN(C(=O)COC[C@H]1CCCO1)CC2 1875243121 QUTBHCFUPQPDNQ-HXUWFJFHSA-N 424.501 1.416 0 50 HDAA CC(C)N1C(=O)CO[C@H](C(=O)N2CCc3[nH]c(=N)sc3C2)[C@H]1c1ccccc1 2100557152 ODJWDVUUODLNHB-MSOLQXFVSA-N 400.504 1.817 0 50 HDAA COc1cc(CN2CC[C@H](NC(=O)N[C@H]3CCN(C4CC4)C3=O)C2)cc(OC)c1 2325706638 SZYXCDRGXXAZNK-KXBFYZLASA-N 402.495 1.341 0 50 HDAA NCc1ccccc1C1CCN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)CC1 2325869753 ZTPBMFIMPFBJAJ-UHFFFAOYSA-N 413.499 1.696 0 50 HDAA O=C1CC[C@H](N2Cc3c(OCC(=O)Nc4ccccc4F)cccc3C2=O)C(=O)N1 2325897543 ZAMPIDGPLMLMHQ-INIZCTEOSA-N 411.389 1.604 0 50 HDAA COc1cc2c(cc1OC)C1(CCN(C(=O)CCc3nc(O)n[nH]3)CC1)OCC2 2356156010 RNCPADBSFJQFET-UHFFFAOYSA-N 402.451 1.551 0 50 HDAA Cc1nn(C)cc1-c1cc(C(F)(F)F)n2ncc(C(=O)NN3CCN(C)CC3)c2n1 2781724 IVGKZWILNNCUOV-UHFFFAOYSA-N 422.415 1.349 0 50 HDAA O=C(N[C@H]1C[C@H]2C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N2C1)c1cc(F)ccc1F 14752762 BELUEUWLDASBQP-KKXDTOCCSA-N 415.396 1.111 0 50 HDAA COCCCNc1nc2nonc2nc1N1CCN(Cc2ccccc2OC)CC1 15072369 SSGJHBUOOJRKHV-UHFFFAOYSA-N 413.482 1.792 0 50 HDAA Cn1nccc1C(=O)N1CCC[C@@H](N2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 19635706 NOBVIZITJXGYAL-GOSISDBHSA-N 411.506 1.571 0 50 HDAA COc1ccccc1OCC(=O)N1CCC[C@@H](CCC(=O)N2CCN(C)CC2)C1 20455357 TWUAFVREKJILJN-SFHVURJKSA-N 403.523 1.867 0 50 HDAA COCCS(=O)(=O)c1ncc(CN2CCN3CCC[C@@H]3C2)n1Cc1ccccc1 23375527 KTGURTXAMHSXIB-LJQANCHMSA-N 418.563 1.632 0 50 HDAA COc1ccc(CCN2C(=O)N[C@@H](CC(=O)NCc3cccnc3)C2=O)cc1OC 170625225 XDNZAGLPNRVFTL-INIZCTEOSA-N 412.446 1.268 0 50 HDAA biogenic COCCNC(=O)C1CCN(C(=O)c2ncn3c2CO[C@H](c2ccccc2)C3)CC1 263616565 JLTJXKQIHRGIKJ-IBGZPJMESA-N 412.490 1.769 0 50 HDAA CCCn1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)c(C)n1 823026300 KTYYCFLBWPTDPV-UHFFFAOYSA-N 406.508 1.757 0 50 HDAA Cc1nc(C)c(CC(=O)N[C@@H]2C3CN4CCN(C3)CC2(c2ccccc2)C4)c(O)n1 827847628 BZUHZEFXCLNQOS-VSZUSUSQSA-N 407.518 1.025 0 50 HDAA C[C@@H]1CCCN(Cc2ccccc2CNC(=O)c2cn(C[C@@H]3CNC(=O)O3)nn2)C1 1290891362 MEZLKEHSIHTOEJ-QAPCUYQASA-N 412.494 1.548 0 50 HDAA CS(=O)(=O)c1ccc(C(=O)N2C[C@@H]3CN(Cc4nccs4)C[C@@]3(CO)C2)cc1 1772814415 XXGYTIAOGGCFOO-KXBFYZLASA-N 421.544 1.113 0 50 HDAA Cc1cc(C(=O)N2C[C@@H]3CN(S(=O)(=O)c4cccs4)C[C@]3(CN(C)C)C2)no1 1772818146 NDBYWHOCHAKBCF-KDOFPFPSSA-N 424.548 1.369 0 50 HDAA CC1(C(=O)N2CCC(N3C[C@H](COc4ccc(F)cc4)OCC3=O)CC2)COC1 1857671422 XDDZMCCAOCVWQN-GOSISDBHSA-N 406.454 1.459 0 50 HDAA CN=c1ccc(C(=O)N2CC[C@@H]3[C@@H](CCCN3C(=O)c3n[nH]c(C)c3Cl)C2)c[nH]1 1875322499 VGXSCEIFQULYOZ-LSDHHAIUSA-N 416.913 1.997 0 50 HDAA CCN1CCC[C@@H]1CN(CC1CCN(CCOC)CC1)C(=O)CCn1cccn1 12750364 XTNSSPZSURMISJ-OAQYLSRUSA-N 405.587 1.945 0 50 HDAA O=C1CC[C@@H](C(=O)N2CC(=O)N(C3CCCCC3)C[C@H](OCc3ccccc3)C2)N1 14753201 DQIQCMMUCVULIF-UXHICEINSA-N 413.518 1.854 0 50 HDAA CCOc1cccc(N2C(=O)C[C@H](NCCc3ccc(S(N)(=O)=O)cc3)C2=O)c1 18143635 IQSKZGFWDYJBGE-SFHVURJKSA-N 417.487 1.197 0 50 HDAA O=C([C@H]1[C@@H]2C=C[C@@]3(CN(CCc4ccncc4)C(=O)[C@H]13)O2)N1CCc2ncccc2C1 77378907 OKRJBCHVHJLPMS-CIEVZJJWSA-N 416.481 1.386 0 50 HDAA Cc1ccc(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N(C)Cc3cc[nH]n3)[C@@H]4C2=O)cc1C 77554772 CFPOCQPBPGFGPT-VAWZGJIGSA-N 406.486 1.967 0 50 HDAA Cc1cc(CNS(=O)(=O)c2ccc3c(c2)CCN(C(=O)[C@@H]2CCCO2)C3)no1 77566145 FJWQLNIIZBLJAG-SFHVURJKSA-N 405.476 1.525 0 50 HDAA CN1CCN(C(=O)[C@H]2CCCN(C3CCN(CCc4ccccc4)CC3)C2)CC1=O 82093067 DUTBXZDQUMIYRR-NRFANRHFSA-N 412.578 1.706 0 50 HDAA COc1cc(N2C[C@@H](C(=O)N[C@@H](CO)c3ccccc3)CC2=O)cc(OC)c1OC 230211621 WEADIGDTLMCEJD-RDJZCZTQSA-N 414.458 1.915 0 50 HDAA COCCS(=O)(=O)c1ncc(CN2CCN3CCC[C@H]3C2)n1Cc1ccccc1 247829707 KTGURTXAMHSXIB-IBGZPJMESA-N 418.563 1.632 0 50 HDAA O=C(CC[C@H]1N=C(O)N(c2cccc3ccccc23)C1=O)NCCN1CCOCC1 252482724 DMLNGOVAFJDNMN-GOSISDBHSA-N 410.474 1.698 0 50 HDAA Cc1nn(Cc2ccccc2)c(C)c1[C@H]1COCCN1S(=O)(=O)c1cnnn1C 480864960 NVOZJHFTDAUNQS-QGZVFWFLSA-N 416.507 1.439 0 50 HDAA COCCn1ccnc1CN1C[C@@H]2CN(c3cnccn3)C[C@]2(CCC(=O)O)C1 1857690899 UDFCCBMHVNRJQT-UZLBHIALSA-N 400.483 1.123 0 50 HDAA Cn1cc([C@H]2[C@H](CN3CCCCC3)OCCN2C(=O)c2ccc3nn[nH]c3c2)cn1 1857712048 JRYPHHHYAYECPB-PMACEKPBSA-N 409.494 1.760 0 50 HDAA COC(=O)[C@H]1C[C@H]2CN(C(=O)c3ccc(OC)nc3)CC(=O)N2[C@H]1c1ccccc1 1857727368 PQJBIGWKTORRGO-ZWOKBUDYSA-N 409.442 1.677 0 50 HDAA COc1cccc(C(=O)N2CCC(C(=O)N3CCN4[C@@H](C)COC[C@H]4C3)CC2)c1 1857736509 JUPZDLZUSGVLFB-QFBILLFUSA-N 401.507 1.479 0 50 HDAA C[C@H]1CN(c2ccc(NC(=O)c3nccnc3C(=O)N3CCOCC3)cc2)CCO1 1875263582 URANVKCOJHYPDV-HNNXBMFYSA-N 411.462 1.426 0 50 HDAA COc1ccncc1S(=O)(=O)NC(=O)[C@@H]1CC(=O)N([C@@H](C)c2ccccc2)C1 2325819846 RWTLDAZIOMNNQJ-DZGCQCFKSA-N 403.460 1.505 0 50 HDAA NCCc1ccc(CN2CCC3(CCc4c(O)nc(N5CCOCC5)nc43)CC2)cc1 2356167284 LZXNAWKWEJYJKQ-UHFFFAOYSA-N 423.561 2.000 0 50 HDAA CN(CCc1ccccn1)Cc1ccc2c(c1)CN(C(=O)[C@@H]1CNC(=O)C1)CCO2 12159829 OJDQBRGPNXNKOR-SFHVURJKSA-N 408.502 1.613 0 50 HDAA CCCc1c(C(=O)N[C@H]2C[C@H]3C(=O)N[C@@H](CC)C(=O)N3C2)cnn1-c1ccccc1 14743821 DRUNITZOAMSJEN-FNHZYXHNSA-N 409.490 1.433 0 50 HDAA CC(C)N(Cc1nccn1C)C(=O)[C@H]1CCC(=O)N(CCCN2CCOCC2)C1 15071503 OLGIJCITPOUYCM-SFHVURJKSA-N 405.543 1.118 0 50 HDAA CCN1CCN(c2ccc(F)cc2[C@H](C)NC[C@@H]2CCN(S(C)(=O)=O)C2)CC1 225771639 DQVISVZOCKKQRM-IRXDYDNUSA-N 412.575 1.900 0 50 HDAA CNC(=O)[C@H]1Cc2ccccc2CN1C(=O)C[C@H]1NC(=O)N(c2ccccc2)C1=O 409413382 AGNWXZLZMPQYKE-QZTJIDSGSA-N 406.442 1.201 0 50 HDAA Cc1c(C)[n+]([O-])c([C@H](c2ccc(O)c(Cl)c2)C2C(=O)N(C)C(=O)N(C)C2=O)n1C 409415358 CIPKOFARDBOPGP-CQSZACIVSA-N 420.853 1.433 0 50 HDAA Cc1ccc(-c2noc(Cc3noc(CN(C)[C@H]4CCS(=O)(=O)C4)n3)n2)cc1 809253878 IORAZTDOHNKVIE-AWEZNQCLSA-N 403.464 1.638 0 50 HDAA COc1ccc(CN2CCC[C@H](CNC(=O)CN3CCCC3=O)C2)c(OC)c1C 824525263 AWXDZESDHHAJHU-QGZVFWFLSA-N 403.523 1.963 0 50 HDAA CCc1c(C)sc2ncnc(N3CCC[C@H](CNC(=O)Cn4cnnn4)C3)c12 952860186 HKLANBRORBRHGP-CYBMUJFWSA-N 400.512 1.581 0 50 HDAA CCN1CCNC(=O)[C@@H]1CC(=O)NCc1nc(-c2ccc(OC)c(O)c2)oc1C 1857671134 NUQKQOBQZNMDIM-HNNXBMFYSA-N 402.451 1.191 0 50 HDAA COc1ccccc1CN1CCN(C(=O)[C@H]2OCC(=O)N[C@@H]2c2ccccc2)CC1 1940196939 GFQWDMFHSVGYBF-YADHBBJMSA-N 409.486 1.596 0 50 HDAA O=C(Nc1ccc2c(c1)OCO2)C1CCN(C(=O)c2ccc(-n3cnnn3)cn2)CC1 2325776707 NVFXMPLGGOWPPV-UHFFFAOYSA-N 421.417 1.277 0 50 HDAA CS(=O)(=O)c1ccc(CC(=O)N2CCC[C@@]3(CCc4c[nH]c(=N)nc43)C2)cc1 2356141614 JESBVQUJGRKEID-HXUWFJFHSA-N 400.504 1.342 0 50 HDAA O=C(c1cn(Cc2ccc(F)cc2Cl)nn1)N1CCN(c2cnccn2)CC1 12028068 GRQOPBMIEADJHU-UHFFFAOYSA-N 401.833 1.871 0 50 HDAA O=C(Cn1nc2ccccc2n1)N1CCC[C@H](CNS(=O)(=O)c2cccs2)C1 12596875 VTIZOBMFPIFBOM-CQSZACIVSA-N 419.532 1.710 0 50 HDAA CC[C@H](C)[C@@H]1NC(=O)[C@H]2CN(S(=O)(=O)c3ccc4ccccc4c3)CCN2C1=O 14743656 XZHGBDAVQQRWTJ-KYNGSXCRSA-N 415.515 1.586 0 50 HDAA CC[C@H]1C(=O)NCCN1Cc1cnc(S(C)(=O)=O)n1CCCc1ccccc1 55054677 DNOITDHWJPNLFG-SFHVURJKSA-N 404.536 1.630 0 50 HDAA COc1ccc(CNC(=O)C[C@@H]2C(=O)NCCN2Cc2cccc(F)c2)c(OC)c1 55270450 HENIRXVSGLYMPZ-LJQANCHMSA-N 415.465 1.850 0 50 HDAA CN1CCC(CCNC(=O)c2cccc(S(=O)(=O)N3CCN(C)CC3)c2)CC1 65362045 QCZNESIRGQMYAE-UHFFFAOYSA-N 408.568 1.084 0 50 HDAA CNc1ncc(C(=O)N2CCC(N3CCC[C@@H](C(=O)N4CCCC4)C3)CC2)cn1 67804382 OPBGXKPSNNHSGK-MRXNPFEDSA-N 400.527 1.457 0 50 HDAA COc1ccc(CN2C(=O)N[C@H](CC(=O)NCCc3ccccc3)C2=O)cc1OC 206241008 XMZDFIVRAMOUEC-QGZVFWFLSA-N 411.458 1.873 0 50 HDAA Cn1ccnc1[C@H](NC(=O)CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)c1ccc(F)cc1 248143392 RCQRMNIAPIGVCZ-YFYRFGBOSA-N 408.433 1.572 0 50 HDAA NC(=O)c1cn(CC(=O)N2CCN(C[C@H](O)c3ccccc3)CC2)c2ccccc12 731812706 FKNGKLUKKKOPHR-NRFANRHFSA-N 406.486 1.618 0 50 HDAA Cn1c(=O)n(C)c2cc(S(=O)(=O)N3C[C@@H](CC(=O)O)c4ccccc43)ccc21 736423468 NPMGDXXTMZMJHT-GFCCVEGCSA-N 401.444 1.644 0 50 HDAA COc1cc(NC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)cc(-n2cnnn2)c1 952982595 BNZHOURNSJCVQQ-UHFFFAOYSA-N 420.426 1.215 0 50 HDAA COc1ccc(S(N)(=O)=O)cc1C(=O)N1CCC[C@H](OCc2ccccn2)C1 1506423376 IBCXNMUULFFTIQ-HNNXBMFYSA-N 405.476 1.559 0 50 HDAA COc1ccc([C@@H]2[C@@H](CO)OCCN2C(=O)CCn2nc(C)cc2C)cc1OC 1529174187 QGYSWCKXBBLHAR-TZIWHRDSSA-N 403.479 1.868 0 50 HDAA Cc1cc(=O)n(CCN2CCC3(CC[C@H](CNC(=O)c4ccco4)O3)CC2)c(O)n1 1529195061 FBGJKSBFOQERHR-MRXNPFEDSA-N 416.478 1.294 0 50 HDAA O=C(c1cncc(N2C[C@@H](O)[C@H](Cc3ccc4ccccc4n3)C2)n1)N1CCOCC1 1704326608 JEZJZYPXCPBVBX-DYESRHJHSA-N 419.485 1.537 0 50 HDAA CNc1ncccc1C(=O)NC[C@H]1CN(CC2CCN(CC3CC3)CC2)C(=O)CO1 1857666743 JXMKYGBKFDTKGQ-SFHVURJKSA-N 415.538 1.203 0 50 HDAA O=C(CCCc1cn[nH]c1)NC[C@@H]1CN(CC2CCN(CC3CC3)CC2)C(=O)CO1 1857677729 BHDHWVYYOIKNNX-HXUWFJFHSA-N 417.554 1.198 0 50 HDAA CN(CC(=O)N1CCc2[nH]nc(-c3ccccc3)c2CC1)[C@@H]1CCS(=O)(=O)C1 1857700266 PVUCGWOPYNNVLO-MRXNPFEDSA-N 402.520 1.123 0 50 HDAA CCOC(=O)CNC(=O)CSc1nc(NCc2ccccc2)nc(N(C)C)n1 2887702 YTJPJOPMOOUPFI-UHFFFAOYSA-N 404.496 1.321 0 50 HDAA Cc1cnc2c(c1SCC(=O)Nc1ccc(F)cc1F)c(=O)n(C)c(=O)n2C 4942030 DZQVTDBWIRPPER-UHFFFAOYSA-N 406.414 1.950 0 50 HDAA CCOc1ccc(CN2CCc3nnc([C@H](C)NC(=O)CCOC)n3CC2)cc1 14879270 KVAQWXZIYPGIBV-INIZCTEOSA-N 401.511 1.949 0 50 HDAA COc1cc(OC)cc(C(=O)NC[C@@H]2CCCN(C(=O)C3=C(C)OCCO3)C2)c1 15077078 PNRSSVAIYMTVKU-HNNXBMFYSA-N 404.463 1.951 0 50 HDAA CS(=O)(=O)Nc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)cc1 16578885 RLSLCLDOSBZLCZ-UHFFFAOYSA-N 409.533 1.565 0 50 HDAA COC(=O)c1cc(C)nc2c1c(=O)n(CC(=O)Nc1ccc(C(C)C)cc1)c(=O)n2C 20345045 MAXSPQTXFVLYEJ-UHFFFAOYSA-N 424.457 1.952 0 50 HDAA CCOC(=O)c1nn(CCO)c2c1CN(C/C=C/c1ccc(O)c(OC)c1)CC2 20537371 ZKJSOJLLZIVRTP-SNAWJCMRSA-N 401.463 1.838 0 50 HDAA O[C@H](COc1ccc2c(c1)OCO2)CN1CCN(Cc2ccc3c(c2)OCO3)CC1 21475731 LSVUFTKIRRUJII-KRWDZBQOSA-N 414.458 1.702 0 50 HDAA O=C1CN(C[C@]2(O)CCCN(CCc3ccccc3)C2=O)CCN1c1ccccc1 67833617 YOUZVBXNHZGBPP-XMMPIXPASA-N 407.514 1.931 0 50 HDAA Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCCC1CCN(C)CC1 71375627 CQMIFZPWORFCSP-UHFFFAOYSA-N 409.552 1.478 0 50 HDAA Cc1cc(F)ccc1N1C[C@]23C=C[C@H](O2)[C@@H](C(=O)N(C)Cc2cnccn2)[C@H]3C1=O 77337126 IWCTXMQXEQZFBS-WEMPKCCASA-N 408.433 1.869 0 50 HDAA CCCSCC(=O)N1CCC2(CC1)CN(CCN1CCN(CC)CC1)C(=O)O2 77376718 BGVVKTPINFOWSL-UHFFFAOYSA-N 412.600 1.581 0 50 HDAA COc1ccc2cc(C(=O)N3C[C@H](CO)[C@H](CN4CCC(O)CC4)C3)n(C)c2c1 91694755 VZWYOJTXRLZMIW-IAGOWNOFSA-N 401.507 1.324 0 50 HDAA COc1ccccc1CC(=O)N1CC[C@H](N2CCN(C)CC2)[C@H](CCC(=O)O)C1 95391275 SGTZYVIYBIDPOK-MOPGFXCFSA-N 403.523 1.567 0 50 HDAA Cc1ccc(CNC(=O)C[C@H]2CN(Cc3ccccc3)CCO2)c(-n2cncn2)n1 170607810 OCKNOHYQPBPTDC-FQEVSTJZSA-N 406.490 1.878 0 50 HDAA COc1cc2ncn(CCCC(=O)N3CC[C@]4(CCOC4)C3)c(=O)c2cc1OC 465095221 MLSKGGZLFKGQKE-NRFANRHFSA-N 401.463 1.833 0 50 HDAA Cc1nc2nc(N)nn2c(C)c1CCC(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 498886133 FBBIAXUUSAYNLO-CQSZACIVSA-N 409.498 1.658 0 50 HDAA CCc1nc2ccccc2n1[C@H]1CCCN(C(=O)c2cn(CC(=O)N(C)C)nn2)C1 773187836 MONHEKKUECSMKB-HNNXBMFYSA-N 409.494 1.756 0 50 HDAA CNC(=O)c1ccc(S(=O)(=O)N2CCN(Cc3cccc(C)c3)C(=O)[C@@H]2C)cc1 1506417781 OTSDBIAWTJFFQE-INIZCTEOSA-N 415.515 1.776 0 50 HDAA CS(=O)(=O)c1cccc(C(=O)N2CC[C@H](O)[C@](CO)(Cc3ccccc3)C2)c1 1529191692 BXYDSFCJMALVDX-PZJWPPBQSA-N 403.500 1.518 0 50 HDAA Cc1cccc(N(CC(=O)N[C@@H]2COC[C@H]2Cc2ccncc2)S(C)(=O)=O)c1 1704351959 NLRWUOGPOOWPKS-IEBWSBKVSA-N 403.504 1.530 0 50 HDAA O=C(COc1ccc(-n2cnnn2)cc1)N1CCO[C@]2(CCN(CC3CCC3)C2)C1 1857686995 MECCTJOPJDWEDQ-NRFANRHFSA-N 412.494 1.145 0 50 HDAA N=c1[nH]nc(CNC(=O)[C@@H]2CC(=O)N(c3nnc(Cc4ccccc4)s3)C2)s1 1857723422 FNDUOTOJNIRDBS-LLVKDONJSA-N 415.504 1.062 0 50 HDAA O=C(NC[C@@H]1COc2ccccc2O1)C(=O)N(CCCO)[C@H]1CCc2ccccc21 1875253349 RMYVSZLWEIQNFF-MJGOQNOKSA-N 410.470 1.841 0 50 HDAA CC(C)(Cc1cnn[nH]1)C(=O)N[C@@H]1CCOC[C@@H]1NC(=O)c1cc(O)ccc1Cl 1875331844 WNMYVXYKFYBSLQ-CVEARBPZSA-N 421.885 1.436 0 50 HDAA O=C(COc1ccc(S(=O)(=O)NCc2ccccc2)cc1)NC[C@@H]1CCCO1 807215 WYSYEYNAITYITQ-SFHVURJKSA-N 404.488 1.839 0 50 HDAA O=C1CC[C@@H](C(=O)N2CC(=O)N(Cc3cccnc3)C[C@H](OCc3ccccc3)C2)N1 14746954 UYPOYQMAGPRWBT-PMACEKPBSA-N 422.485 1.116 0 50 HDAA O=C(C[C@H]1COCCN1)N1CCC2(CCC(=O)N(CCc3cccnc3)C2)CC1 91665690 BRYZLVMXSKFERI-IBGZPJMESA-N 400.523 1.234 0 50 HDAA CN(C)CC(=O)N1CCC[C@H](CCC(=O)N2CCN(Cc3ccccc3)CC2)C1 95507340 ZARIDTQRBVTCRW-OAQYLSRUSA-N 400.567 1.911 0 50 HDAA CCc1cc(N2CCC(N[C@@H](C)c3nc(C)no3)CC2)nc(N2CCOCC2)n1 95531638 SNVGMDRULSKQCP-AWEZNQCLSA-N 401.515 1.887 0 50 HDAA COc1ccccc1O[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@@H](O)[C@@H]1NC(C)=O 230034993 ALKOZBGCSKIQAN-VEYVBMQYSA-N 415.442 1.779 0 50 HDAA COC(=O)c1c(OCCCN(C)C)cc(=O)n2c1CCN(C(=O)CC(C)(C)C)CC2 299758245 NLIIBEWKQBOPJC-UHFFFAOYSA-N 421.538 1.786 0 50 HDAA Cc1ncsc1C(=O)NC[C@@H]1CN(CC2CCN(CC3CC3)CC2)C(=O)CO1 299798884 WFKQLNUKUUPOGG-QGZVFWFLSA-N 406.552 1.531 0 50 HDAA O=C(c1ccc2n[nH]cc2c1)N1CCC[C@@H](C(=O)N2CCO[C@@H](c3ncon3)C2)C1 474228188 FUUBVPSRFIURLL-RHSMWYFYSA-N 410.434 1.398 0 50 HDAA O=C(Cc1nc2nc3c(c(=O)n2[nH]1)CCCC3)N1CCN(c2ccccc2F)CC1 952979282 ZSDCMURLVBUOBC-UHFFFAOYSA-N 410.453 1.327 0 50 HDAA CN(C)c1ncc(CN2CCC3(CC2)CN(Cc2ccccn2)C(=O)CCO3)cn1 1704310822 UIBAYIYCLCPSIT-UHFFFAOYSA-N 410.522 1.721 0 50 HDAA CC[C@@H](C)[C@@H](CO)NC(=O)C[C@H]1NC(=O)N(Cc2ccc(OC)c(OC)c2)C1=O 1772492678 PQARNEBKHVQVBW-BPLDGKMQSA-N 407.467 1.038 0 50 HDAA COc1nc2c(cc1-c1nccn1-c1cnn(CCCC(N)=O)c1)C(=O)N(C(C)C)C2 1857693945 UCIHBBBXLWVYBM-UHFFFAOYSA-N 423.477 1.769 0 50 HDAA COc1cccc2[nH]c(C(=O)N[C@@H]3CN4CCCC[C@@]4(C(=O)NCCCO)C3)cc12 1875249106 HUNOQPDTVAKYRW-NYHFZMIOSA-N 414.506 1.402 0 50 HDAA CN(C)C(=O)CN1C(=O)[C@@]2(CCN(C(=O)c3nn(C)cc3Cl)C2)c2ccccc21 2100480886 STRFNMQSJQPEHN-HXUWFJFHSA-N 415.881 1.292 0 50 HDAA COc1ccc(CCNC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)cc1OC 2852321 IMLHVDIUKDDXDR-UHFFFAOYSA-N 410.467 1.968 0 50 HDAA CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NCCOC)CC2)cc1Cl 4488421 FVAUPPZCCFFVDS-UHFFFAOYSA-N 404.916 1.902 0 50 HDAA CC(C)Cn1c(CN(C)Cc2cnn(C)c2)cnc1S(=O)(=O)C[C@@H]1CCCO1 11819889 UGMQKFKJOYZZRN-SFHVURJKSA-N 409.556 1.857 0 50 HDAA COc1ccc(S(=O)(=O)NC[C@H]2CCCN(C(=O)CN3CCCCC3)C2)cc1 12202838 WPXXAYOZKAHMPT-QGZVFWFLSA-N 409.552 1.698 0 50 HDAA COc1ccc(OC[C@H](O)CN2CCC(O)CC2)c(CNCCCn2ccnc2)c1 12317495 UOSIHLGRYFPLPJ-HXUWFJFHSA-N 418.538 1.268 0 50 HDAA COCCCNC(=O)c1nn(C)c2c1CN(C(=O)[C@H](OC)c1ccccc1)CC2 14741546 LTNPGGQPKVZBBL-LJQANCHMSA-N 400.479 1.459 0 50 HDAA O=C(NCCN1CCOCC1)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl 20061906 MXAZJZDRBGFDMH-UHFFFAOYSA-N 401.916 1.187 0 50 HDAA COCC1CCN(Cc2ccc(OC)c(OC[C@@H](O)CN3CCN(C)CC3)c2)CC1 22926242 HSTCEPYDGGAIEK-NRFANRHFSA-N 421.582 1.541 0 50 HDAA COc1ccc(-c2cn3cc(C(=O)N4CCCN(C)CC4)nc3c(=O)n2C)c(F)c1 72436013 YWVAVLMBJDCRIN-UHFFFAOYSA-N 413.453 1.625 0 50 HDAA COC[C@H]1CCCN1S(=O)(=O)c1ccc2c(c1)CN(S(=O)(=O)C1CC1)CC2 77440257 RQCZIOJYTFZKFD-MRXNPFEDSA-N 414.549 1.336 0 50 HDAA Cc1c[nH]c(C(=O)N2CCc3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3C2)c1 77517550 MCHXZFPVLACZJA-KRWDZBQOSA-N 403.504 1.979 0 50 HDAA COc1cccc(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N3CCCN(C)CC3)[C@H]4C2=O)c1 77542136 XAZNPQAJTJXJBZ-SRYPRDQNSA-N 411.502 1.141 0 50 HDAA COc1cccc(N2C(=O)C[C@@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2=O)c1 85894235 GWNCNAVXRVOTEZ-LJQANCHMSA-N 423.469 1.874 0 50 HDAA NC(=O)[C@@H]1CN(C(=O)CN2C[C@H](O)Cc3ccc4ccccc4c32)c2ccccc2O1 247712433 KNVCSWOKZBJZTE-UTKZUKDTSA-N 417.465 1.843 0 50 HDAA CCOC(=O)N1CCN(C(=O)c2nnn3c2CO[C@H](c2ccc(F)cc2)C3)CC1 263616173 HMMPDJXSUJOYCT-INIZCTEOSA-N 403.414 1.603 0 50 HDAA O=C(c1ccc(N2CCC[C@H](Oc3ccccc3)C2)nc1)N1CCS(=O)(=O)CC1 685908336 KZXHXKMCYKKAEO-IBGZPJMESA-N 415.515 2.000 0 50 HDAA COCc1nn(C)cc1C(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]32)C[C@H]1OC 942477931 PQEZVNWRAFYUCN-CDSLXBQBSA-N 404.511 1.348 0 50 HDAA CN1CCC[C@]2(C(=O)O)CCN(C(=O)c3ccc(N(C)S(C)(=O)=O)cc3)C[C@@H]12 1704301196 OQNHENWQDATINZ-APWZRJJASA-N 409.508 1.094 0 50 HDAA Cn1cnc(C(=O)N[C@@]2(C)CC3(CCN(CCCn4cccc4)CC3)OC[C@@H]2O)c1 1772704836 LSCMFAABDXIVBF-FPOVZHCZSA-N 415.538 1.416 0 50 HDAA COc1ccc(CNC(=O)[C@H]2CC[C@H](NC(=O)c3ccncc3)[C@@H](O)C2)cc1F 1857707337 OLOOOIQXWAZQIF-SZMVWBNQSA-N 401.438 1.805 0 50 HDAA COC(=O)c1ccc2c(n1)CN(C(=O)C(=O)NCc1ccc(-c3cc[nH]n3)cc1)CC2 1875350852 CKQZMBAQAWKVJA-UHFFFAOYSA-N 419.441 1.459 0 50 HDAA C[C@@H](c1ccccc1)N1C[C@@H](C(=O)NS(=O)(=O)c2ncn(C)c2Cl)CC1=O 2325819598 KJXIRNBZMXBBJB-AAEUAGOBSA-N 410.883 1.488 0 50 HDAA O=C(NC[C@@H]1C=CCN1C(=O)c1n[nH]c2c1CCSC2)[C@@H](O)c1ccc(F)cc1 2325872201 LZDBYLGLOFSRNO-KSSFIOAISA-N 416.478 1.569 0 50 HDAA Nc1cncc(-c2ccc(C(=O)NC[C@@H](c3cccnc3)N3CCOCC3)cc2)n1 2356168116 QHVCTYSDVFBCAY-FQEVSTJZSA-N 404.474 1.924 0 50 HDAA CC[C@@H](C)Nc1nc2c(c(=O)n(C)c(=O)n2C)n1C[C@H](O)COc1ccccc1C 637526 DIFHZGTWAAQLEQ-CABCVRRESA-N 415.494 1.392 0 50 HDAA Cc1c(C)n2c3c(=O)n(CCN4CCCCC4)c(=O)n(C)c3nc2n1Cc1ccco1 6167077 ONODTLVLOHUZMJ-UHFFFAOYSA-N 424.505 1.893 0 50 HDAA CCOc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NCCOc2cccnc2)cc1 11662458 YQHKVAKWFIPUGJ-FQEVSTJZSA-N 412.490 1.366 0 50 HDAA COCCCNC(=O)c1nn(C)c2c1CN(Cc1cnn(-c3ccccc3)c1)CC2 14749778 GSLDNJQDWIGXBX-UHFFFAOYSA-N 408.506 1.930 0 50 HDAA COCCNC(=O)c1cn(C2CCN(C(=O)Cc3cccc(Cl)c3)CC2)nn1 20542954 SAIUCXFLFZNHLX-UHFFFAOYSA-N 405.886 1.714 0 50 HDAA O=C1CC[C@H](C(=O)N2CCN(CCCCO)CC2)CN1CCc1cccc(F)c1 39551794 KYHJUVNPDNOTDR-IBGZPJMESA-N 405.514 1.524 0 50 HDAA Cc1ccc(C)c(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N(C)Cc3cnn(C)c3)[C@H]4C2=O)c1 77354682 XLBVAYHIJFBGQT-XARGGIHNSA-N 420.513 1.978 0 50 HDAA CC(C)OC(=O)N1CCC(NC(=O)[C@@H]2CN(c3nccn4cnnc34)C[C@H]2C)CC1 240757032 HVXOYBJRPHOALX-GDBMZVCRSA-N 415.498 1.322 0 50 HDAA COc1cccc(CN2CCC[C@]3(CCN(C(=O)c4cc(C)nc(N)n4)C3)C2=O)c1 426373891 YKLAZWOYUOLGFO-JOCHJYFZSA-N 409.490 2.031 0 50 HDAA C[C@]1(c2cccc(CNC(=O)[C@H]3CC(=O)N(c4ccc(F)cc4)C3)c2)NC(=O)NC1=O 1338671755 WNLMDNNICYRILD-RCDICMHDSA-N 424.432 1.550 0 50 HDAA CCC(=O)N1C[C@@H]2CN(S(=O)(=O)c3cnn(C)c3)C[C@]2(CCc2ccccc2)C1 1772817191 LWHPCPLYPZYEHV-NQIIRXRSSA-N 416.547 1.912 0 50 HDAA O=C(NCc1nc2ncccc2o1)[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 1857675659 GMHZWZXUCFNHAU-CQSZACIVSA-N 404.423 1.831 0 50 HDAA CCc1[nH]nc(C(=O)N2CC(=O)N3[C@@H](C[C@H](C(=O)OC)[C@@H]3c3ccccc3)C2)c1C 1857730261 ORNREHGGPTXPDS-FTRWYGJKSA-N 410.474 1.868 0 50 HDAA C[C@@H](NC(=O)C(=O)N1CCN(c2ccncc2)CC1)c1cc(F)ccc1-n1cccn1 2325724247 JYOYYXYWNVLEHZ-MRXNPFEDSA-N 422.464 1.932 0 50 HDAA CCCN1CCC(NC(=O)C[C@@H]2C(=O)NCCN2Cc2ccc(OC)c(C)c2)CC1 11934568 ZKBKBABRMMXHAN-HXUWFJFHSA-N 416.566 1.685 0 50 HDAA COCCn1c(=O)c2c(nc3n(-c4ccc(OC)cc4OC)c(C)cn23)n(C)c1=O 13540677 OFFWSTLETHFCDI-UHFFFAOYSA-N 413.434 1.111 0 50 HDAA O=C1CCCN1CCCNC(=S)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 17088620 GGBDXBGEJFJNBI-UHFFFAOYSA-N 410.565 1.770 0 50 HDAA O=C(NCCN1CCN(C(=O)c2ccccc2F)CC1)C(=O)Nc1ccc(F)cc1 19831144 YXLDZJVLATUQAV-UHFFFAOYSA-N 416.428 1.478 0 50 HDAA C1CN(CC2CCN(c3nc4nonc4nc3N3CCSCC3)CC2)CCO1 20877735 VVFUKNJIAAMNSF-UHFFFAOYSA-N 405.528 1.115 0 50 HDAA CCN1CCN(C(=O)[C@@H]2[C@@H]3C=C[C@@]4(CN(C5CCCCCC5)C(=O)[C@H]24)O3)CC1=O 77505038 PEORKYMLNHPCAO-ZBPHCFQXSA-N 401.507 1.182 0 50 HDAA CCCn1c(C)c(CC(=O)NCc2nc(C(N)=O)no2)c2c1CC(C)(C)CC2=O 95530964 CRTBVKOOBLAMOD-UHFFFAOYSA-N 401.467 1.702 0 50 HDAA CC(=O)c1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@H](C(N)=O)N2C=Cc4ccccc4[C@@H]32)cc1 248376274 CDAIJJBBUPFJTH-ZGXWSNOMSA-N 401.422 1.890 0 50 HDAA CCn1nc(C)c(CN2CCC[C@@H](n3ncc(N4CCOCC4)cc3=O)C2)c1C 328602903 DBNHCVCQYYJAEZ-GOSISDBHSA-N 400.527 1.750 0 50 HDAA O=C(c1cc2ccccc2[nH]1)N1CCC[C@@H](n2ncc(N3CC[C@H](O)C3)cc2=O)C1 328604229 JCGQUCJRCQIDGX-AEFFLSMTSA-N 407.474 1.773 0 50 HDAA Cc1nc2cc(C(=O)N3CCC4(CC3)NC(=N)NC4=O)ccc2n1-c1ccccc1 426541400 NQPYJXLAYMWJSF-UHFFFAOYSA-N 402.458 1.963 0 50 HDAA CCOC(=O)[C@@H](C)NC(=O)c1ccc(NC(=O)C(=O)N2CCCC[C@@H]2CCO)cc1 429814524 MDPWYTVYVMRPSE-RHSMWYFYSA-N 419.478 1.070 0 50 HDAA Cc1cc(S(N)(=O)=O)ccc1CNc1ccc2nnc(-c3ccccc3F)n2n1 444866819 BPFZIFVDAVPPEK-UHFFFAOYSA-N 412.450 2.498 0 50 HDAA Cc1cc(-c2cc(S(=O)(=O)N3Cc4nc(C)n(C)c(=O)c4C3)c(C)s2)n[nH]1 1506420894 BPMWRFCKQVEXTR-UHFFFAOYSA-N 405.505 1.862 0 50 HDAA CC[C@@H](C)N1CCO[C@@]2(C[C@@H]3CC[C@H](C2)N3Cc2cnc(NCC(=O)O)nc2)C1 1857708508 XTGZONWCTBESBK-OCQZMCQHSA-N 403.527 1.969 0 50 HDAA O=C(O)c1cncc(-n2cc(C[C@@H]3CCCN(C(=O)c4cncc(F)c4)C3)nn2)c1 1875324584 DUUIFKIMNWZRFK-ZDUSSCGKSA-N 410.409 1.990 0 50 HDAA Cc1nc(N(C)C)sc1C(=O)N[C@H]1CCN(C(=O)Cc2nncs2)C[C@H]1C 1875361792 BQSSBYKJUMTJIF-PWSUYJOCSA-N 408.553 1.579 0 50 HDAA Cc1ccc(C(=O)N2CCC(C(=O)N3CCC4(CC3)OCC[C@H](O)[C@@H]4O)CC2)cc1 2356159737 ONMLBIGHKMUQGH-PMACEKPBSA-N 416.518 1.351 0 50 HDAA C[C@H](NC(=O)C(=O)N[C@H](C)[C@H]1COc2ccccc2O1)[C@@H]1COc2ccccc2O1 4024667 KEUUMAZYNPYVIQ-YKLJGAPNSA-N 412.442 1.676 0 50 HDAA biogenic CCn1cc(S(=O)(=O)N2CCC[C@H](C(=O)N[C@@H](C)c3ccnn3CC)C2)c(C)n1 6490248 QJBRBYIGPSJAMX-HOCLYGCPSA-N 422.555 1.706 0 50 HDAA CC(=O)Cn1c(=O)c2c(nc(-n3nc(C)cc3C)n2Cc2ccccc2F)n(C)c1=O 12516757 TWZSUASAIVYHFJ-UHFFFAOYSA-N 424.436 1.476 0 50 HDAA O=C(Cn1cnnn1)N1CC(=O)N(C2CCCCC2)C[C@H](OCc2ccccc2)C1 14530315 FJICPNLFUNFTKS-LJQANCHMSA-N 412.494 1.262 0 50 HDAA O=C(CCCn1nnnc1CN1CCOCC1)N(CC1CCC1)C[C@@H]1CCCO1 19731280 BHKKPVRUFVTEFC-SFHVURJKSA-N 406.531 1.093 0 50 HDAA CCn1cnnc1CN(C)C(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(c4ccc(F)cc4)C(=O)[C@H]13)O2 77378796 HDQNCZUECGZUHE-DBSRCYSRSA-N 411.437 1.382 0 50 HDAA CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1nc(-c2ccc3c(c2)OCO3)no1 169760440 NJMCSNVVHGYEOY-UHFFFAOYSA-N 406.376 1.044 0 50 HDAA Cc1cn2nc(C(=O)N3CCC(NC(=O)c4ccc(C)c(F)c4)CC3)cc2c(=O)[nH]1 169777001 GSPYKRVREQAHML-UHFFFAOYSA-N 411.437 1.813 0 50 HDAA CC(=O)NC1CN(C(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccccc2F)C1 170606264 VMEDHOWZGSURID-GOSISDBHSA-N 419.478 1.062 0 50 HDAA O=C1C[C@@H](C(=O)N2CCN(Cc3ccccc3CO)CC2)CN1Cc1ccncc1 952860409 OZAIZIBCFMMALT-OAQYLSRUSA-N 408.502 1.267 0 50 HDAA O=C(O)COc1ccc(-c2ccc3c(c2)OCO3)cc1CN[C@H]1CCS(=O)(=O)C1 1506412780 FBLUZOZYEGXBHC-INIZCTEOSA-N 419.455 1.822 0 50 HDAA Cc1cc(C(=O)N2C[C@@H]3CN(Cc4nccs4)C[C@]3(CO)C2)c2c(C)noc2n1 1772808342 NOHMHZKLUKGBDD-VBKZILBWSA-N 413.503 1.863 0 50 HDAA COC(=O)[C@H]1C[C@H]2CN(C(=O)c3nsnc3C)CC(=O)N2[C@H]1c1ccccc1 1857712639 JZSTUMIKMHCINB-ZQIUZPCESA-N 400.460 1.434 0 50 HDAA COc1ccc([C@H]2CN(C(=O)C(=O)Nc3cccc(C(N)=O)c3)CCO2)cc1OC 1875324258 OSFWWYBINVLUJU-GOSISDBHSA-N 413.430 1.341 0 50 HDAA Cc1[nH]nc(C(=O)NC[C@@H]2CCN(C(=O)c3cc4n(n3)CCCC4)C[C@@H]2C)c1O 2325824064 NWBROAKZFOZVFG-JSGCOSHPSA-N 400.483 1.485 0 50 HDAA CCOC(=O)c1ccccc1NC(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O 1072867 CXXKLTRNGJMYBK-UHFFFAOYSA-N 420.443 1.997 0 50 HDAA CN(C)CCCNC(=O)[C@@H]1C[C@H](CN2CCOCC2)CN(CCc2ccccc2)C1 14747664 JRBDMUUCAUENRN-DHIUTWEWSA-N 416.610 1.567 0 50 HDAA COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NCc2csc(C)n2)cc1C 15063670 NBDSMYPBUGQZFS-QGZVFWFLSA-N 402.520 1.775 0 50 HDAA COCCCNC(=O)c1ccc(OC2CCN(S(C)(=O)=O)CC2)c(Cl)c1 15066277 QDFFQQNAZTYFLL-UHFFFAOYSA-N 404.916 1.909 0 50 HDAA CCCn1c(CN2CCN(Cc3ccccc3)CC2)nc2c1c(=O)n(C)c(=O)n2C 20026501 JLYHADGRJMVWIG-UHFFFAOYSA-N 410.522 1.162 0 50 HDAA CCN1CCN(C2CCN(c3nc4nonc4nc3NC3CCCC3)CC2)CC1 23360113 OSHPMDMIZSPKHB-UHFFFAOYSA-N 400.531 1.974 0 50 HDAA CN(C)CCNC(=O)Cn1c(Cc2ccccc2)nn(-c2ccc(Cl)cc2)c1=O 77454470 HJVJTXGPYNLEQK-UHFFFAOYSA-N 413.909 1.956 0 50 HDAA COCCCN1CC2(CCC1=O)CCN(C(=O)[C@H]1CCCCn3nnnc31)CC2 92028902 YIVMXBDHRSHCMP-INIZCTEOSA-N 404.515 1.208 0 50 HDAA CC(=O)[C@H]1CC(C(=O)N2CCN(C3CCN(C)CC3)[C@@H](C)C2)=NN1c1ccccc1 222088295 NBHQTJUTXSMLBJ-HTAPYJJXSA-N 411.550 1.837 0 50 HDAA CC(C)[C@H](CO)NC(=O)CC[C@@H]1N=C(O)N(CCc2c[nH]c3ccccc23)C1=O 252532895 FKVCFYQWTGZITK-ROUUACIJSA-N 400.479 1.749 0 50 HDAA O=C(NCc1ccccc1-n1ccnc1)C1CCN([C@H]2CCS(=O)(=O)C2)CC1 670467751 CPVQMNGIGKVGPD-SFHVURJKSA-N 402.520 1.388 0 50 HDAA Cc1ccc(S(=O)(=O)NCCCNC(=O)[C@@H]2CC(=O)Nc3ccccc32)cc1 828320666 YPVLZSZVQOMGBS-QGZVFWFLSA-N 401.488 1.906 0 50 HDAA CSCC[C@H](C(=O)NCCc1nc(C)no1)n1c(O)nc2ccccc2c1=O 888089844 KUZJKXCMSYNBER-CQSZACIVSA-N 403.464 1.447 0 50 HDAA CN1CCN(CCOc2ccccc2CN2C[C@H](Cc3ccncc3)[C@@H](O)C2)CC1 1616072804 DPTZMPRDLNQROL-GOTSBHOMSA-N 410.562 1.743 0 50 HDAA CC[C@]1(C(=O)N2CCS(=O)(=O)CC2)C[C@H]2CC[C@@H]1N2C(=O)c1cc(C)oc1C 1704309343 RMIDKAYACWXENB-SYNHAJSKSA-N 408.520 1.927 0 50 HDAA CCN(CC)CCNC(=O)CC1(N2Cc3ccccc3C2=O)CCN(C(C)=O)CC1 1772501696 ZMKZOTWQKINHMS-UHFFFAOYSA-N 414.550 1.872 0 50 HDAA CN1CCn2nc(-c3nc(COc4cccc(F)c4)nn3-c3ccnn3C)cc2C1=O 1857679781 VAAPYQNHNVXRAY-UHFFFAOYSA-N 422.424 1.668 0 50 HDAA CCNC(=O)N1CCC(OC)(C(=O)N2CCC([C@@H](O)c3ccccn3)CC2)CC1 1857698567 YMZNOZHDXFGJMS-GOSISDBHSA-N 404.511 1.564 0 50 HDAA CCOCc1nnc(N2C[C@H](C(=O)NCCCc3c(C)noc3C)CC2=O)s1 1857716500 BAQQKBHICJATME-CYBMUJFWSA-N 407.496 1.781 0 50 HDAA CC[C@H]1[C@@H](C(=O)OC)C[C@H]2CN(Cc3cnn(-c4ccccc4F)c3)CC(=O)N21 1857719487 NSSRZZFBUOKQEM-BQFCYCMXSA-N 400.454 1.996 0 50 HDAA CC(C)[C@H]1CN2C[C@H](NC(=O)c3ccccc3N3CCC(=O)NC3=O)C[C@H]2CO1 1857720841 MXYIAIZANGFYAF-RVKKMQEKSA-N 400.479 1.360 0 50 HDAA CC(=O)N[C@@H](C(=O)N1CCC[C@@H]1C(=O)NCc1c(C)cc(=N)[nH]c1C)c1ccccc1 1875362753 RBKDJFHEAJJXCJ-TZIWHRDSSA-N 423.517 1.596 0 50 HDAA O=c1c2cnn(-c3ccccc3)c2nnn1Cn1c(-c2ccccc2Cl)noc1=O 1875391638 NHAZZEPAHXKCSU-UHFFFAOYSA-N 421.804 1.953 0 50 HDAA CN1CCC(NC(=O)[C@@H]2C[C@H](O)[C@@H](NC(=O)CCCCc3ccccc3)C2)CC1 2100473278 IPWRHUKXJKHLIU-JBACZVJFSA-N 401.551 1.866 0 50 HDAA Cn1c(=O)c2[nH]c(N3CCC[C@H](COC(=O)c4cccs4)C3)nc2n(C)c1=O 1409330 QKCJUCGQQPPYNU-NSHDSACASA-N 403.464 1.095 0 50 HDAA Cc1nnc(SCCNC(=O)C[C@H]2C(=O)NCCN2CCc2ccccc2)s1 11839387 BJLILUJUIOJFIM-INIZCTEOSA-N 419.576 1.488 0 50 HDAA O=C1NCCN(Cc2ccccc2)[C@H]1CC(=O)N1CCC(O)(c2ccccc2)CC1 11844188 OGPWCAKRXFNRIA-NRFANRHFSA-N 407.514 1.887 0 50 HDAA CCN1CCN(CC(=O)N2CCC(n3nccc3NC(=O)CC(C)C)CC2)CC1 19595678 ODNFENBDLXBHEQ-UHFFFAOYSA-N 404.559 1.669 0 50 HDAA CN1CCN(S(=O)(=O)c2ccc(NC(=O)c3ccc4c(c3)OCO4)cc2)CC1 35913013 KDZAFXWTMWUWBT-UHFFFAOYSA-N 403.460 1.604 0 50 HDAA CN(C)[C@H]1CCN(S(=O)(=O)c2ccc3c(c2)CN(C(=O)c2ccccn2)CC3)C1 77298442 LBZVNAWKSSEUHN-SFHVURJKSA-N 414.531 1.605 0 50 HDAA Cc1ncn(-c2cc(NCCNS(=O)(=O)c3ccc(F)c(F)c3)ncn2)c1C 82230588 NGDSNGDVBYJBQS-UHFFFAOYSA-N 408.434 1.948 0 50 HDAA COc1ccccc1C(=O)N1CCN(c2cc(N3CCN(C)CC3)nc(C)n2)CC1 82230720 LSAIDDKASWBOGC-UHFFFAOYSA-N 410.522 1.508 0 50 HDAA Cc1ccc([C@@H](CNC(=O)NCc2ccc(S(N)(=O)=O)cc2)N2CCOCC2)o1 170620981 CVTXUTNAKXYEEU-QGZVFWFLSA-N 422.507 1.108 0 50 HDAA COC(=O)CC1CCN(C(=O)CC[C@H]2NC(=O)N(Cc3ccccc3)C2=O)CC1 223220916 MYMQECMQSQCWOW-QGZVFWFLSA-N 401.463 1.689 0 50 HDAA Nc1c(O)nc(O)nc1C(=O)N1CCC(Nc2cccc(Br)c2)CC1 447696020 PELVUJLMYKILCE-UHFFFAOYSA-N 408.256 1.949 0 50 HDAA Cc1ccc2c(c1)C(=O)N([C@H](C)C(=O)Nc1cccc(NS(N)(=O)=O)c1)C2=O 485768581 WLENUFKCGGQUTR-LLVKDONJSA-N 402.432 1.234 0 50 HDAA O=C(CN1CCN(c2ncccn2)CC1)N1CCC[C@@H](Cc2nc3ccccc3[nH]2)C1 952963509 KKSNGOOPBQXGRT-SFHVURJKSA-N 419.533 1.956 0 50 HDAA Cc1ccccc1CC(=O)NC[C@H]1CCCN(C(=O)CSc2nc(N)n[nH]2)C1 952967711 MCQDYCYSBCJOJL-CQSZACIVSA-N 402.524 1.385 0 50 HDAA Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1NC(=O)Cn1ncc2ccccc2c1=O 1529162371 ZEIXSRLFDSGDPH-HNNXBMFYSA-N 415.475 1.208 0 50 HDAA CS(=O)(=O)N1C[C@@H]2[C@H](CNC(=O)c3cnoc3-c3ccccc3)[C@H]3CC[C@]2(C1)O3 1704311572 CHTNVGHZFLGVEG-CNVJLJKISA-N 417.487 1.510 0 50 HDAA O=C1Cn2cnc3c2[C@@H](c2cccc(c2)OCCCN1)N(C(=O)C1CCOCC1)CC3 1775979201 IWNZUSLXKYHQLL-OAQYLSRUSA-N 424.501 1.683 0 50 HDAA COc1ccccc1-n1cc(C(=O)N2CCO[C@]3(CCN(c4ncccn4)C3)C2)cn1 1857690051 UBBYHDFXHXUSQL-JOCHJYFZSA-N 420.473 1.792 0 50 HDAA CCc1noc(C)c1C(=O)NC[C@@H]1CN(CC2CCN(CC3CC3)CC2)C(=O)CO1 1857693320 RGTUSKBPUPQJOH-GOSISDBHSA-N 418.538 1.625 0 50 HDAA CCc1cnc(N2CCO[C@@]3(C[C@@H]4CC[C@H](C3)N4C[C@@H]3CNCCOC3)C2)nc1 1857720640 CQQQLHGLSPWTLD-ITTUMRLJSA-N 401.555 1.477 0 50 HDAA COCCn1nnc([C@@H]2CN(C3CCN(CCc4ccccc4)CC3)CCO2)n1 1857722717 LUAUQWLDVVPZII-FQEVSTJZSA-N 400.527 1.400 0 50 HDAA O=C(O)CN1CCN(C(=O)c2cncc(-c3cn(CCc4ccccc4)nn3)c2)CC1 1875326874 PTQSYEKLIIWMKR-UHFFFAOYSA-N 420.473 1.425 0 50 HDAA C=CC(=O)NCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 2325889032 XCHQPBRBQVCTNX-UHFFFAOYSA-N 406.291 1.129 0 50 HDAA O=C1CC[C@@H](N2Cc3cc(NC(=O)N4CCc5ncccc54)ccc3C2=O)C(=O)N1 2325901492 IIFDZNBMVRYFSV-QGZVFWFLSA-N 405.414 1.437 0 50 HDAA Cn1ccc(C(=O)Nc2ccc(NC(=O)C3CCN(S(C)(=O)=O)CC3)cc2)n1 2804979 AJOOIDPJXWSEBO-UHFFFAOYSA-N 405.480 1.283 0 50 HDAA CCOC(=O)N1CCN(C(=O)CN(c2cccc(Cl)c2C)S(C)(=O)=O)CC1 2978398 STSRBNVGTCKPLX-UHFFFAOYSA-N 417.915 1.715 0 50 HDAA CCN(CCO)C(=O)C[C@]1(c2ccccc2)CC(=O)N(CCc2ccccn2)C1=O 11788352 BKFCZXBCJSMKLC-HSZRJFAPSA-N 409.486 1.552 0 50 HDAA CCN(CC)C[C@H](O)COc1ccc(CN2CCCN(C(C)=O)CC2)cc1OC 12073645 GEQLGRQVARDPMM-FQEVSTJZSA-N 407.555 1.831 0 50 HDAA COc1cc(NC(=O)COc2nsnc2N2CCOCC2)cc(OC)c1OC 12418779 PUZRDTKJSBJNME-UHFFFAOYSA-N 410.452 1.418 0 50 HDAA CC(C)CN1C[C@@H](OCc2ccccn2)CN(C(=O)C2CCN(C)CC2)CC1=O 14745582 BTHCKUHCIKIFGZ-HXUWFJFHSA-N 402.539 1.635 0 50 HDAA Cc1nc([C@H](C)N(C)C(=O)CCCn2nnnc2CN2CCOCC2)c(C)s1 14948050 KNZTXOIINROSNA-ZDUSSCGKSA-N 407.544 1.578 0 50 HDAA Cc1cc(F)ccc1S(=O)(=O)Nc1ccccc1C(=O)NCCN1CCOCC1 20638254 CJPODTKUUDDKLD-UHFFFAOYSA-N 421.494 1.997 0 50 HDAA CC(C)[C@@H](CNC(=O)OC(C)(C)C)C(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 170618070 CSVHQSGDGWNCMN-HZPDHXFCSA-N 417.572 1.115 0 50 HDAA CCOc1ccc(OC[C@H](O)CN2CC[S@@](=O)C[C@@H]2c2cnn(CC)c2)cc1 242273533 YDNKABBEMTWDKQ-ROERJRBBSA-N 407.536 1.847 0 50 HDAA Cc1nccn1-c1ccc(CNC(=O)CN2C(=O)NC3(C[C@H](C)C[C@@H](C)C3)C2=O)cn1 756937552 AQTPAMSOGOPPKP-HUUCEWRRSA-N 424.505 1.939 0 50 HDAA CN(C)S(=O)(=O)CCNC(=O)Cn1nc(-c2ccccc2)c2ccccc2c1=O 952965985 HGMPLZHPZHKPNV-UHFFFAOYSA-N 414.487 1.071 0 50 HDAA CCCCS(=O)(=O)N1C[C@H]2CN(C(=O)Cc3cccnc3)C[C@]2(CN(C)C)C1 1772815001 BROPORFBTSKUJY-UYAOXDASSA-N 408.568 1.076 0 50 HDAA COc1ccc(Cl)cc1S(=O)(=O)N1CCCN(C(=O)[C@@H]2CCOC2)CC1 1775979148 ZQVWNXOPHCXICS-CYBMUJFWSA-N 402.900 1.608 0 50 HDAA CN1CC[C@]2(C(=O)N[C@H]3CC[C@H](O)CC3)CCCN(C(=O)c3ccncc3)[C@H]2C1 1800411119 GEZDFUOPLCQTIB-ZVVDCOBXSA-N 400.523 1.428 0 50 HDAA Cc1noc(C)c1S(=O)(=O)N1CCO[C@@H](CN2CCCCC2)[C@@H]1c1cnn(C)c1 1857702653 FVGFMCPJOSRPPN-ROUUACIJSA-N 423.539 1.642 0 50 HDAA CN1CC2(C1)CN(C(=O)Cn1nnnc1C1(NCc3ccccc3)CCCCC1)C2 1857706469 UMNQJWOCMDHTPU-UHFFFAOYSA-N 409.538 1.396 0 50 HDAA CCOC(=O)[C@H]1CCCN(c2ncnc3c2ncn3CC2(CO)CCOCC2)C1 1875269315 WBIHZRHZRLJMOP-HNNXBMFYSA-N 403.483 1.395 0 50 HDAA Cc1nc(CC(=O)N2CCCC3(CCN(C(=O)[C@@H]4C[C@H]4[C@@H]4CCCO4)CC3)C2)n[nH]1 1875331394 YIFRBEOQAUTYAR-KURKYZTESA-N 415.538 1.702 0 50 HDAA COC(=O)[C@@H]1C[C@H]1C(=O)N[C@H]1CC[C@@H](N(C)C(=O)C[C@H]2CSCCS2)CC1 1875356591 ROADRSYOBYXJNS-ZVDSWSACSA-N 414.593 1.920 0 50 HDAA C[C@]1(C(=O)NC[C@@H](NC(=O)c2cnn[nH]2)c2ccc3ccccc3c2)CCNC(=O)C1 1875359551 ILDSAPDKKMQCCU-VGSWGCGISA-N 420.473 1.462 0 50 HDAA C[C@H](OC(=O)NCc1ccc2c(c1)C(=O)N([C@H]1CCC(=O)NC1=O)C2)C1CSC1 2325901226 YNCVQPHMPHDOME-ZBEGNZNMSA-N 417.487 1.425 0 50 HDAA O=C(c1ccccc1-n1cncn1)N1CC[C@@H](O)[C@](Cc2ccccc2)(C(=O)O)C1 2356157123 AZGVOARQSCLBBK-DENIHFKCSA-N 406.442 1.788 0 50 HDAA COc1ccc(S(=O)(=O)N(C)CC(=O)N2CCN(c3ccccc3)CC2)cc1 798713 WEXMGVGVWXZSPY-UHFFFAOYSA-N 403.504 1.665 0 50 HDAA O=C(CN1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)N1CCOCC1 1123087 PUAWBTKURBGXDX-LIKPIUCQSA-N 402.450 1.737 0 50 HDAA COc1ccc(OC)c(CNC(=O)[C@@H]2CCC(=O)N(CCCN3CCCC3=O)C2)c1 12193662 WEIJIRVICRZPCZ-MRXNPFEDSA-N 417.506 1.571 0 50 HDAA CN(Cc1cccc(OC[C@@H](O)CN2CCOCC2)c1)Cc1ccc2nonc2c1 12578758 QGDWUCLWYLAJDX-IBGZPJMESA-N 412.490 1.927 0 50 HDAA COc1ccc(C[C@@H]2NC(=O)[C@@H]3C[C@H](NC(=O)c4ccc(OC)cc4)CN3C2=O)cc1 14535209 LDWJARVUSONTKN-VDGAXYAQSA-N 423.469 1.144 0 50 HDAA O=C(c1ccc[n+]([O-])c1)N1CC(=O)N(C2CCCCC2)C[C@@H](OCc2ccccn2)C1 14543286 NYDHXAGLHWNHSF-NRFANRHFSA-N 424.501 1.918 0 50 HDAA CCN1CCN(C[C@@H](O)COc2cccc(CN(C)Cc3nccn3CC)c2)CC1 19799752 YSTNWFXCKMTFFJ-OAQYLSRUSA-N 415.582 1.912 0 50 HDAA CCOC(=O)CC1(NC(=O)[C@@H]2CCC(=O)N(CCN3CCOCC3)C2)CCCCC1 23337871 BCXDZBVTVSDNAX-GOSISDBHSA-N 423.554 1.330 0 50 HDAA CCNc1cc(C)nc(N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)n1 65364559 NWURVDYEHXXPKZ-UHFFFAOYSA-N 419.507 1.499 0 50 HDAA Cc1cc(F)ccc1N1C[C@]23C=C[C@H](O2)[C@H](C(=O)N(C)Cc2cnccn2)[C@@H]3C1=O 77337115 IWCTXMQXEQZFBS-VWNVYAMZSA-N 408.433 1.869 0 50 HDAA Cc1ccc(C)c(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N3CCCN(C)CC3)[C@H]4C2=O)c1 77393139 FQPJGMRWMSXWPR-CIEVZJJWSA-N 409.530 1.750 0 50 HDAA CCN1CCN(C(=O)[C@H]2CC[C@H](CNC(=O)CNC(=O)c3ccccc3)CC2)CC1 252430880 PQLUAEQPHWFAQG-KESTWPANSA-N 414.550 1.503 0 50 HDAA CC[C@H](C)[C@@H](CO)NC(=O)CC[C@@H]1N=C(O)N(Cc2ccc(OC)c(OC)c2)C1=O 252538971 NOSGGHBIEWKMEN-CWRNSKLLSA-N 421.494 1.632 0 50 HDAA C[C@@H](CNC(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N1Cc1ccccc1)C(=O)O 485955119 JEWWFPWPHMBUQA-LIRRHRJNSA-N 409.442 1.337 0 50 HDAA O=C(NCCN1CCCC[C@H]1CO)c1sccc1S(=O)(=O)N1CCCC1 670466684 NYOMIRTZFBJLJD-AWEZNQCLSA-N 401.554 1.109 0 50 HDAA Cc1cc(N2CCN(C(=O)CN3CCCN(C)CC3)CC2)nc(-c2ccccc2O)n1 952866972 HHGATZWPQRQAGS-UHFFFAOYSA-N 424.549 1.444 0 50 HDAA O=C(c1ccc2c(c1)CCCO2)N1CCCN(S(=O)(=O)N2CCCCC2)CC1 952981303 HJYKRGIJLPQAPH-UHFFFAOYSA-N 407.536 1.890 0 50 HDAA NC(=O)c1csc(N2CCC(CNC(=O)[C@H]3COc4ccccc4O3)CC2)n1 952986777 IDUYJHCDFXNUBD-MRXNPFEDSA-N 402.476 1.415 0 50 HDAA Cc1cc(C)cc(CSCC(=O)N[C@H]2COC[C@H]2CS(=O)(=O)N(C)C)c1 1704342378 AJXMRNJHNBDGLC-IRXDYDNUSA-N 400.566 1.559 0 50 HDAA Cc1nnc(CCN2C(=O)C[C@H]3[C@@H]2CCN3C(=O)c2ccc3c(c2)OCO3)s1 1857694658 HDDVPXWJDHLYCM-KBPBESRZSA-N 400.460 1.633 0 50 HDAA CCOC(=O)[C@@]12CC[C@H](N3CCOCC3)C[C@H]1CCN(C(=O)c1ccn(CC)n1)C2 1857696346 WRWLFPNSPXOOBS-KGVIQGDOSA-N 418.538 1.799 0 50 HDAA Cc1ccc2c(c1)C(=O)NCCN(C(=O)c1cccnc1)CCCC(=O)NCCO2 1857710570 DRBHYMHHQGUOAU-UHFFFAOYSA-N 410.474 1.551 0 50 HDAA O=C(Cc1ccc(Cl)cc1)NCC[C@H]1COCCN1C(=O)c1ncc[nH]c1=O 1857711382 WMIMGJVIENIUKV-HNNXBMFYSA-N 404.854 1.013 0 50 HDAA CCCc1nnc(N2C[C@@H](C(=O)N(CCOC)Cc3ccncc3)CC2=O)s1 1857740982 WOWZSCZYWOTNPG-HNNXBMFYSA-N 403.508 1.914 0 50 HDAA CC[C@H](NC(=O)Cc1cccc(-c2cn(C[C@H](O)COC)nn2)c1)C(C)(C)C(=O)O 1875354226 RLNQLWXHNFDBQB-WMZOPIPTSA-N 418.494 1.501 0 50 HDAA CCNC(=O)C[S@@](=O)c1cccc(NC(=O)Cn2c(O)nc3ccccc32)c1 2325705112 PWENQLGSDSLEPQ-MUUNZHRXSA-N 400.460 1.624 0 50 HDAA O=C(CCn1cnccc1=O)N[C@@H](C(=O)O)c1ccc(Cl)c(Br)c1 2325851966 OHSVPQKUMMLFAF-CQSZACIVSA-N 414.643 1.991 0 50 HDAA COC(=O)[C@@]12COC[C@@H]1CN(C(=O)c1nn(Cc3ccccc3)c3ncccc13)C2 2356167497 ZQJOMTIAFPYGTH-AOMKIAJQSA-N 406.442 1.741 0 50 HDAA Cn1c(=O)c2c(ncn2CC(=O)Nc2ccc(OC(F)(F)Cl)cc2)n(C)c1=O 969936 AWZRZULBJFMNHF-UHFFFAOYSA-N 413.768 1.240 0 50 HDAA CCOCCn1c(=O)c2c(nc(-n3nc(C)c(C)c3C)n2CC(C)C)n(C)c1=O 12518205 IDKGPODEGMAEGP-UHFFFAOYSA-N 402.499 1.700 0 50 HDAA Cc1cccc(NC(=O)C[C@H]2C(=O)NCCN2C(=O)CN2CCc3ccccc3C2)c1 13636661 IRDQDLIPUXDSQE-NRFANRHFSA-N 420.513 1.709 0 50 HDAA O=C1CC[C@@H](C(=O)N2CC(=O)N(C3CCCCC3)C[C@@H](OCc3ccccc3)C2)N1 14753203 DQIQCMMUCVULIF-PMACEKPBSA-N 413.518 1.854 0 50 HDAA C[C@H]1CN(Cc2nnnn2CC(=O)N(C)Cc2cc3cc(F)ccc3[nH]2)C[C@@H](C)O1 19147398 VRMCUYSCYWBDAC-OKILXGFUSA-N 415.473 1.561 0 50 HDAA COc1cccc(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N(C)Cc3nnc(C)o3)[C@H]4C2=O)c1 77287772 VMHHCIBPGXJIOT-ZBPHCFQXSA-N 424.457 1.327 0 50 HDAA CN(C)C(=O)CSc1nnc(NC(=O)C2(N3CCOCC3)CCCCC2)s1 1506404491 YKIVVMXEKJCNFI-UHFFFAOYSA-N 413.569 1.692 0 50 HDAA O=C1CCCN(C(=O)c2cccnc2)CCCNC(=O)c2ncccc2OCCN1 1857691191 ZLYLNEVULJMJME-UHFFFAOYSA-N 411.462 1.028 0 50 HDAA CCOc1cc(C)c(Cl)cc1S(=O)(=O)N1CC[C@@]23OCCN2C(=O)C[C@@H]13 1857727701 YGYHUTPQZBRNBD-WBVHZDCISA-N 400.884 1.769 0 50 HDAA CCOCc1nnc(N2C[C@H](C(=O)NCc3c(C)cc(C)nc3OC)CC2=O)s1 1857735403 CKPHIOVRMMFHJD-CYBMUJFWSA-N 419.507 1.764 0 50 HDAA Cc1nc2c(c(=NCc3nc[nH]n3)[nH]1)CC[C@@]21CCCN(C(=O)c2cncc(F)c2)C1 1875241365 VJCBLACSFSHHBS-OAQYLSRUSA-N 422.468 1.591 0 50 HDAA CC(C)[C@@H](CN1CCOCC1)N=c1ccc2nnc(-c3ccc4c(c3)OCO4)n2[nH]1 1875265305 AZFGBBNBHQFQTM-MRXNPFEDSA-N 410.478 1.711 0 50 HDAA CCN1CCN(C(=O)c2ccc(CNS(=O)(=O)c3cccc(OC)c3)cc2)CC1 630840 OQNLSOFIADOABL-UHFFFAOYSA-N 417.531 1.951 0 50 HDAA CCN(CC)C(=O)COC(=O)c1ccc(Oc2nc(N(C)C)nc(N(C)C)n2)cc1 1816453 ZZUUYGQJXGCIBF-UHFFFAOYSA-N 416.482 1.821 0 50 HDAA COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)N(C)Cc2ccon2)c(OC)c1 12431435 QLFUMYAVGDXHHW-KRWDZBQOSA-N 402.451 1.041 0 50 HDAA O=S(=O)(c1ccccc1Cl)N1CCN(c2cc(-n3cccn3)ncn2)CC1 65363130 AIYQEKCZOMSPLM-UHFFFAOYSA-N 404.883 1.827 0 50 HDAA O=C(O)c1cccnc1N1CCC(N2CCC[C@H](C(=O)N3CCOCC3)C2)CC1 71761155 WYUNUWORMZSGOD-INIZCTEOSA-N 402.495 1.319 0 50 HDAA Cc1nc(N2CCC[C@H](C(=O)N(C)CCO)C2)nc2cc(S(C)(=O)=O)ccc12 299757405 JEYGWHCNKHELIB-AWEZNQCLSA-N 406.508 1.009 0 50 HDAA Cc1ccn(C[C@](C)(O)C(=O)N2CCC(n3ccc(C(F)(F)F)n3)CC2)c(=O)c1 468425216 HVEUYNYJBNOFQQ-SFHVURJKSA-N 412.412 1.987 0 50 HDAA CCOC(=O)c1c[nH]nc1S(=O)(=O)N[C@@H](c1ccccc1OC)c1nccn1C 818022961 ZHSMNOAKJQTFEU-HNNXBMFYSA-N 419.463 1.396 0 50 HDAA Cc1ncc(CN(CCO)C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)[nH]1 1704307529 JFCSBBJYYFYIKG-KRWDZBQOSA-N 410.471 1.031 0 50 HDAA Cc1ncsc1CN1C[C@@H]2CN(C(=O)c3nnc4n3CCCCC4)C[C@@]2(CO)C1 1772712926 VTCCJLVKPQEEGV-FOIQADDNSA-N 416.551 1.336 0 50 HDAA CCCCCc1nc(-c2cc3n(n2)CCN(C)C3=O)n([C@@H]2CCS(=O)(=O)C2)n1 1857671947 ZGXXWMNBNSKXEG-CYBMUJFWSA-N 406.512 1.320 0 50 HDAA CNc1cc(N2CCC[C@]3(CCc4c(O)nc(-c5cccnc5)nc43)C2)nc(=N)[nH]1 1857735100 ICSTYSZHYFLONV-NRFANRHFSA-N 404.478 1.973 0 50 HDAA CC(=O)N(C)[C@H](C(=O)NCCN1CCCS1(=O)=O)c1c(F)cccc1Cl 2325736694 MIUFSTVAFLSVJD-HNNXBMFYSA-N 405.879 1.150 0 50 HDAA CCn1ncc(S(=O)(=O)N2CCC[C@]3(CCc4cnc(N(C)C)nc43)C2)c1C 2356153612 NWTSRMMQUTXHGU-IBGZPJMESA-N 404.540 1.736 0 50 HDAA Cn1ccc(C(=O)Nc2cccc(NC(=O)C3CCN(S(C)(=O)=O)CC3)c2)n1 2805060 UCOOGFPBBQZMJN-UHFFFAOYSA-N 405.480 1.283 0 50 HDAA COCCNC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 2928370 IBNVMGOZRQDISJ-UHFFFAOYSA-N 422.503 1.970 0 50 HDAA COCCCN1C(=O)C[C@](CC(=O)N[C@@H](CC(C)C)C(N)=O)(c2ccccc2)C1=O 11882270 KYUBKFFLEDEWBP-HTAPYJJXSA-N 417.506 1.126 0 50 HDAA COc1cccc(CNCCc2ccccn2)c1OC[C@H](O)CN1CCOCC1 12304382 UHUDGODFPIZSCX-HXUWFJFHSA-N 401.507 1.494 0 50 HDAA COc1ccccc1-n1cc(CN2CCN3C(=O)[C@H](CC(C)C)NC(=O)[C@H]3C2)cn1 14754014 AKHAERJORWODSR-PKOBYXMFSA-N 411.506 1.438 0 50 HDAA O=C(NCC(=O)N1CCN(C(=O)c2ccco2)CC1)c1ccc(Br)cc1 15879990 BMQLZGBOINAGFF-UHFFFAOYSA-N 420.263 1.757 0 50 HDAA COc1ccc(CC2=NO[C@@H](C(=O)NC[C@H](c3cccnc3)N3CCOCC3)C2)cc1 19838883 VQTKVXPZZKDVSU-FGZHOGPDSA-N 424.501 1.967 0 50 HDAA COc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@H]2NC2CCCCC2)cc1C 55408886 ZEJOSAMXYYDSTG-AEFFLSMTSA-N 401.550 1.865 0 50 HDAA CCn1c(C2CCN(S(=O)(=O)c3ccsc3C(=O)OC)CC2)n[nH]c1=O 67741305 HPBJGCBNLNRZPH-UHFFFAOYSA-N 400.482 1.008 0 50 HDAA COc1cccc(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N(C)CCn3cccn3)[C@H]4C2=O)c1 77321012 AAUXSVSTXXTWFS-SRYPRDQNSA-N 422.485 1.332 0 50 HDAA CN(Cc1nc(Cc2cccc(C(F)(F)F)c2)no1)[C@H]1CS(=O)(=O)C[C@@H]1O 207583634 NWPOQLXLSPQPDW-STQMWFEESA-N 405.398 1.269 0 50 HDAA CCc1n[nH]c(C(=O)N2CC[C@H](N3CCN(c4ccccc4F)CC3)[C@@H](O)C2)c1C 253599504 MHEHZJSRIFBNJY-PMACEKPBSA-N 415.513 1.817 0 50 HDAA O=C(c1c[nH]nc1-n1cnnn1)N1CC[C@]2(CCCN(CC3CCCCC3)C2=O)C1 426434509 QSWUKDGKBHKXPM-HXUWFJFHSA-N 412.498 1.420 0 50 HDAA Cc1nc2ncnn2c(C)c1CCC(=O)N1CCc2nc[nH]c2[C@@H]1c1cccnc1 952983880 YHGYEZHAHQXFGH-FQEVSTJZSA-N 402.462 1.966 0 50 HDAA CN1CCN(CCOc2ccccc2CN2C[C@@H](O)[C@H](Cc3cnccn3)C2)CC1 1529159039 MTGCGDVZGUTMHY-IFMALSPDSA-N 411.550 1.138 0 50 HDAA CNC(=O)c1cc(S(=O)(=O)N[C@@H]2C[C@H]3CO[C@@H](c4ccccc4)CN3C2)cs1 1857723791 XAFZIMAXUFJBQR-HLLBOEOZSA-N 421.544 1.600 0 50 HDAA O=C([C@@H]1CCCCn2nnnc21)N1CCc2nc(CCc3ccccc3)nn2CC1 2356166670 IHAGJVLLHYJQNO-QGZVFWFLSA-N 406.494 1.402 0 50 HDAA O=C(c1cn(CCN2CCOCC2)nn1)N1CCC(N2CCc3ccccc3C2)CC1 12759758 BEOHDTQYEGIBLN-UHFFFAOYSA-N 424.549 1.273 0 50 HDAA C[C@H]1CN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccccc2F)C[C@@H](C)O1 13483890 WYMWRZDLSFFTCT-OKILXGFUSA-N 415.469 1.230 0 50 HDAA CN(C)S(=O)(=O)c1cc(NCC2CC2)cc(C(=O)N2CCC[C@@H](C(N)=O)C2)c1 19781886 DLSPNAXGCYJRKG-CQSZACIVSA-N 408.524 1.096 0 50 HDAA COCCS(=O)(=O)c1ncc(CN2CCC[C@H]2C(=O)OC)n1Cc1ccccc1 55341295 YRLHHNKQVLCYBW-SFHVURJKSA-N 421.519 1.489 0 50 HDAA O=C(C[C@H]1C(=O)NCCN1Cc1cccnc1)NCCCn1ccc2ccccc21 55370924 VSVJVEJZDGHXGA-NRFANRHFSA-N 405.502 1.933 0 50 HDAA CN(C[C@@H]1CCCN(CCc2ccccc2F)C1)C(=O)Cc1c[nH]c(=O)[nH]c1=O 95497054 FLEXGTLVWPKJAG-HNNXBMFYSA-N 402.470 1.158 0 50 HDAA Cn1c(=O)c2c(nc(Oc3ccccc3)n2C[C@@H](O)COc2ccccc2)n(C)c1=O 170624367 FMEUORFDHDHEHD-OAHLLOKOSA-N 422.441 1.666 0 50 HDAA Cc1noc(C)c1CN1CCN(C(=O)C[C@@H]2NC(=O)c3ccccc3NC2=O)CC1 206241176 FVIOYKGFFOHNSD-SFHVURJKSA-N 411.462 1.076 0 50 HDAA O=C(CC[C@H]1N=C(O)N(Cc2ccccc2Cl)C1=O)NCCCN1CCOCC1 252527937 DTVYVKSAZUYZOM-QGZVFWFLSA-N 422.913 1.584 0 50 HDAA Cc1nc(CC(=O)NC[C@@H]2CN(CC3CCN(CC4CC4)CC3)C(=O)CO2)cs1 299760381 QRZOKYHBDWKDFE-LJQANCHMSA-N 420.579 1.460 0 50 HDAA Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C)c3ncn(C)n3)CC2)c(C)c1 444390682 GZKRCCNXRGEQIB-HNNXBMFYSA-N 405.524 1.710 0 50 HDAA NC(=O)c1nccnc1C(=O)N1CCC[C@@H](c2nnc3ccc(C(F)(F)F)cn23)C1 468262423 SYJYADCHQFGJKZ-SNVBAGLBSA-N 419.367 1.657 0 50 HDAA O=C(O)CC[C@]12CN(Cc3ccccc3F)C[C@H]1CN(C(=O)c1n[nH]c(O)n1)C2 1772818896 NAERRNLODLCWPG-ORAYPTAESA-N 403.414 1.088 0 50 HDAA Cc1cc(=O)c2ccccc2n1CC(=O)N1C[C@@H]2CN(C(=O)c3cc[nH]n3)CC[C@@H]21 1775979858 NYQKVKWOIHEJDO-YJBOKZPZSA-N 405.458 1.406 0 50 HDAA O=C(NCC[C@H]1COCCN1C(=O)CCc1cnccn1)c1cccc(F)c1F 1857695991 HQHDQHPONAABNL-HNNXBMFYSA-N 404.417 1.735 0 50 HDAA COC(=O)CCCN1CCC(N2C[C@@H](COc3ccc(F)cc3)OCC2=O)CC1 1857700094 MOTQHAQJEAAEBT-IBGZPJMESA-N 408.470 1.850 0 50 HDAA CCN(C)C(=O)CN1CC2(CCN(Cc3ccccc3OC)CC2)OCCC1=O 1857740719 WKKBUKKHZVTUSG-UHFFFAOYSA-N 403.523 1.757 0 50 HDAA NC(=O)C1CCN(CC(=O)Nn2cnc3scc(-c4ccccc4)c3c2=O)CC1 1875257598 KPWFVFFUZFKSKE-UHFFFAOYSA-N 411.487 1.392 0 50 HDAA COCCN(C(=O)[C@H](O)CN[C@@H]1CCOC1)[C@@H](C)c1cccc(C(F)(F)F)c1 1875308364 CBSHLTBHNRYYGV-IAOVAPTHSA-N 404.429 1.981 0 50 HDAA CCN1C[C@@H](C(=O)N2CCCC[C@H](NC(=O)c3cccc(C(N)=O)c3)C2)CCC1=O 1875359666 MFJSSELTMRWHKF-ROUUACIJSA-N 414.506 1.155 0 50 HDAA O=C(NCCCC(=O)N1CCOc2ccccc21)N1CCC[C@@](O)(c2cnn[nH]2)C1 2325728289 JGKQRMIJYRVNPM-FQEVSTJZSA-N 414.466 1.004 0 50 HDAA CCc1ccnc(C(=O)N2[C@H]3CC[C@@H]2CN(C(=O)[C@@H](NC(=O)COC)C(C)C)C3)c1 2325872935 SFTCYAWJGFJHIO-QKLQHJQFSA-N 416.522 1.247 0 50 HDAA Cc1cc(NC(=O)[C@@H]2CCc3nn(C)c(=O)n3C2)n(Cc2ccc(Cl)cc2)n1 2356163669 MTTXZDHVKCOTDM-CQSZACIVSA-N 400.870 1.990 0 50 HDAA COC(=O)c1ccccc1NC(=O)CSc1nnnn1-c1ccc2c(c1)OCO2 783300 KXUCALHIEUVQDT-UHFFFAOYSA-N 413.415 1.908 0 50 HDAA NS(=O)(=O)c1ccc(NC2=NC(=O)[C@@H](CC(=O)Nc3ccccc3)S2)cc1 1797012 CCXUGQBDRGAFJP-CQSZACIVSA-N 404.473 1.773 0 50 HDAA COCCNC(=O)c1cn([C@H]2CCCN(C(=O)Cc3ccccc3Cl)C2)nn1 12001696 XWEAKMSOMCTBMP-HNNXBMFYSA-N 405.886 1.714 0 50 HDAA O=C(CCCn1nnnc1CN1CCOCC1)N[C@H](c1ccccc1)c1ccco1 20784046 SYHRGXOOBXRFGG-OAQYLSRUSA-N 410.478 1.784 0 50 HDAA O=C(Nc1ccc2c(c1)OCCO2)N1CCN(c2ccc(-n3cccn3)nn2)CC1 65362255 AKVYYPICOXSAAO-UHFFFAOYSA-N 407.434 1.788 0 50 HDAA CN1c2cc(C(=O)N3CCOCC3)ccc2OC[C@@H]1CC(=O)NCc1ccno1 67742005 GWMUWBNIDYVWBD-HNNXBMFYSA-N 400.435 1.051 0 50 HDAA Cc1ccc(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N3CCc5n[nH]cc5C3)[C@H]4C2=O)cc1C 77287921 NIPZFPYXSJPIKT-CIEVZJJWSA-N 418.497 1.893 0 50 HDAA O=C1CN(C(=O)c2ccc(CNC(=O)N[C@@H]3[C@@H]4CCc5ccccc5[C@@H]43)cc2)CCN1 435795161 PJPBGVSIOZGHAI-BAGYTPMASA-N 418.497 1.786 0 50 HDAA Cc1ccc(S(=O)(=O)NCCCNC(=O)c2cc(CC(C)C)nc(O)n2)cc1 670459180 MOIWYXSJJZCLQR-UHFFFAOYSA-N 406.508 1.788 0 50 HDAA CNC(=O)[C@H]1Cc2ccccc2CN1C(=O)CCCn1c(O)nc2ccccc2c1=O 951708647 UIDUZAHZVYMWSU-LJQANCHMSA-N 420.469 1.582 0 50 HDAA CC1(C)[C@@H](NC(=O)CCN2CCN(c3ccccn3)CC2)C[C@H]1N1CCOCC1 1452709987 BTQHDEHPVZYVAJ-RBUKOAKNSA-N 401.555 1.209 0 50 HDAA CSc1nn2c(=O)cc(CN(C)Cc3nc(-c4ccccn4)no3)nc2s1 1506406663 MUBZSVLELZUWON-UHFFFAOYSA-N 401.477 1.950 0 50 HDAA COc1cccc(CN(CCN(C)C)C[C@@H]2CCCO2)c1OCCN1CCOCC1 1506410858 UWTGMNRZPIHNTM-NRFANRHFSA-N 421.582 1.949 0 50 HDAA O=C(CCc1ccncc1)N1CCC2(CCc3c(O)nc(N4CCOCC4)nc32)CC1 1857716916 GVDFECIAFKWCOF-UHFFFAOYSA-N 423.517 1.853 0 50 HDAA CC(C)S(=O)(=O)NCc1cnc2c(c1)CN(C(=O)CCc1cnccn1)CC2 1875246265 DBQMNLAHOBAUKD-UHFFFAOYSA-N 403.508 1.217 0 50 HDAA CNC(=O)c1cccc(C(=O)N[C@@H]2CN(Cc3ccc(OC)c(F)c3)C[C@H]2OC)c1 1875309727 KXNFMJYLPZINIV-UYAOXDASSA-N 415.465 1.823 0 50 HDAA C[C@]1(c2cccc(C(=O)N3C[C@@H](Cc4ccccc4)[C@H](C(=O)O)C3)c2)NC(=O)NC1=O 2325851889 LWUGFPDIPCSFJI-JTUHZDRVSA-N 421.453 1.757 0 50 HDAA O=C(O)Cc1ccccc1NC(=O)c1ccc2c(c1)CN([C@@H]1CCC(=O)NC1=O)C2=O 2325896041 PJJHUIYXXHGVTL-QGZVFWFLSA-N 421.409 1.327 0 50 HDAA CCn1cc(CNCc2ccc(OC[C@@H](O)CN3CCSCC3)c(OC)c2)cn1 11813447 RHIFZISYZWLNNB-IBGZPJMESA-N 420.579 1.990 0 50 HDAA COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)N(C)Cc2cnn(C)c2)c(C)c1C 11842385 YMZLKXYVQRQIPZ-IBGZPJMESA-N 413.522 1.395 0 50 HDAA COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)N(C)Cc2ccon2)cc1OC 13594437 NSGSCGILGBYTNL-MRXNPFEDSA-N 402.451 1.041 0 50 HDAA CC(C)CN1C[C@@H](OCc2cccnc2)CN(C(=O)CCc2cnccn2)CC1=O 14539664 VEIVWBXUQJRYPG-HXUWFJFHSA-N 411.506 1.716 0 50 HDAA Cc1ccc(OC(=O)N2CCN3C(=O)[C@H](COCc4ccccc4)NC(=O)[C@H]3C2)cc1 14746984 XVGYGJPCECXEKZ-VQTJNVASSA-N 423.469 1.722 0 50 HDAA O=C1N[C@@H](Cc2ccc(O)cc2)C(=O)N2C[C@@H](NCc3ccc(Cl)s3)C[C@@H]12 14747169 ZGYPTCOGWJLETI-RCBQFDQVSA-N 405.907 1.907 0 50 HDAA Cc1ccc(OCCN(C)C(=O)[C@H]2CCC(=O)N(CCCN3CCOCC3)C2)cc1 19791251 ZPFNDHCOUHRAON-FQEVSTJZSA-N 417.550 1.793 0 50 HDAA COc1cccc2c1OCCCN(C(=O)C[C@@H]1C(=O)NCCN1Cc1ccccn1)C2 55343998 SKHZVLKADPIZFB-LJQANCHMSA-N 424.501 1.592 0 50 HDAA COc1ccc(C)cc1S(=O)(=O)NCCNc1cc(-n2ccnc2C)nc(C)n1 65363254 UEQPOVPELMDYLQ-UHFFFAOYSA-N 416.507 1.987 0 50 HDAA CN(CC1(CO)CC1)C(=O)[C@@H]1CCCN(C2CCN(Cc3cccnc3)CC2)C1 71752208 SRGNKYKCVHBTOB-HXUWFJFHSA-N 400.567 1.989 0 50 HDAA Cc1cccc(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N(C)Cc3cc(C)[nH]n3)[C@@H]4C2=O)c1 77541781 BHALVZDTOPSGON-VAWZGJIGSA-N 406.486 1.967 0 50 HDAA Cc1[nH]nc(O)c1CC(=O)N1CC[C@H]2[C@H](CCC(=O)N2CCCn2ccnc2)C1 1565506315 WEQUTIPQMRQEFQ-WBVHZDCISA-N 400.483 1.093 0 50 HDAA C[C@]1(O)CC2(CCN(S(=O)(=O)c3ccc(-c4ccno4)s3)CC2)OC[C@@H]1O 1704329345 RTBFUPCZNJMCTE-HOCLYGCPSA-N 414.505 1.459 0 50 HDAA CC1CCN(C(=O)COc2ccccc2CN2CC[C@@]3(CNC(=O)CO3)C2)CC1 1772817889 ZUHSFTJULZIHHF-JOCHJYFZSA-N 401.507 1.415 0 50 HDAA NS(=O)(=O)Cc1ccc(CNC(=O)N[C@@H]2COc3c(F)cc(F)cc3C2)cc1 1875260487 FNBMAMHVEGKEOC-HNNXBMFYSA-N 411.430 1.556 0 50 HDAA NC(=O)[C@@H]1CCS(=O)(=O)C12CN(C(=O)c1cc(C3CC3)nc(C(F)(F)F)c1)C2 1875329876 HUDDYTUMQPKNAY-NSHDSACASA-N 417.409 1.092 0 50 HDAA Cc1nnc2ccc(C(=O)N3CCC[C@H](C4CN(C(=O)c5cnnc(O)c5)C4)C3)cn12 1875360438 HWHRNVLQMIHYQC-AWEZNQCLSA-N 421.461 1.158 0 50 HDAA C=CC(=O)N1CCC[C@H](C(=O)N2CCC(c3ccc(S(N)(=O)=O)cc3)CC2)C1 1875372046 UWPOXHLJBMSPNX-KRWDZBQOSA-N 405.520 1.465 0 50 HDAA O=C(N[C@H]1CC[C@H](C(=O)O)CC1)[C@@H]1[C@@H]2C(=O)N(Cc3ccccn3)C[C@]23C=C[C@H]1O3 2100480843 RQYUBGTZMSBLFG-FBJKSXAHSA-N 411.458 1.123 0 50 HDAA COC(=O)[C@@H](Cc1c[nH]c2cc(F)ccc12)NC(=O)Cn1ccc(=O)c(O)c1C 2325870031 GTFFRIYBJPOPEY-MRXNPFEDSA-N 401.394 1.383 0 50 HDAA O=C(c1n[nH]cc1I)N1N=C(C(F)F)C[C@]1(O)C(F)F 6413858 YCBNTCQRHHRLJE-VIFPVBQESA-N 406.077 1.435 0 50 HDAA CCOC(=O)C1CCN(C(=O)[C@@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)CC1 6697671 XQIYQRGIHJBYKZ-CYBMUJFWSA-N 400.472 1.782 0 50 HDAA COc1ccc(-c2cc(C(=O)N(C)C[C@@H]3COCCO3)cc(-n3cnnn3)c2)cc1 12470462 YINKMTYNEMLQSK-HXUWFJFHSA-N 409.446 1.825 0 50 HDAA COc1ccc(CNCCNC(C)=O)cc1OC[C@@H](O)CN1CCCCCCC1 15074832 GPDWLJTYVBFMGX-FQEVSTJZSA-N 407.555 1.927 0 50 HDAA CSc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1C(=O)N1CCOCC1 16626644 KARPTDWRBPEFLV-CYBMUJFWSA-N 400.522 1.338 0 50 HDAA O=C(CCn1nnnc1CN1CCOCC1)NCCc1cccc(C(F)(F)F)c1 19838266 KPBCMXQGZHMIEB-UHFFFAOYSA-N 412.416 1.273 0 50 HDAA C[C@H](NC(=O)CCCn1nnnc1CN1CCOCC1)c1cnn(-c2ccccc2)c1 20204738 NEEVOWJUYGKGOS-KRWDZBQOSA-N 424.509 1.349 0 50 HDAA COc1ccccc1CN1CCNC(=O)[C@@H]1CC(=O)N1CCN(C2CCCC2)CC1 20543143 IZZGTJMONYBHEV-FQEVSTJZSA-N 414.550 1.473 0 50 HDAA CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1ccc(N2CCOCC2)cc1 72441935 IDGFRNRNGRCPMW-UHFFFAOYSA-N 415.515 1.976 0 50 HDAA Cc1cc(C(=O)N2CCC(N3CCC[C@H](C(=O)NCc4ccccn4)C3)CC2)[nH]n1 82087607 YSIBXBIYIVCRQW-KRWDZBQOSA-N 410.522 1.746 0 50 HDAA CN(Cc1ccc2ccccc2c1)S(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C 116755688 DBBRPKBIJWIXGM-UHFFFAOYSA-N 410.455 1.596 0 50 HDAA COc1ccc(NC(=O)CC[C@@H]2NC(=O)c3ccccc3NC2=O)cc1-c1nnn[nH]1 217761665 WPDCJQMPLMEDSK-HNNXBMFYSA-N 421.417 1.345 0 50 HDAA biogenic O=C1NCCN(Cc2ccc(F)cc2)[C@H]1CC(=O)N1CCC(c2nc[nH]n2)CC1 426573303 RQGRJPUXLAIDSO-KRWDZBQOSA-N 400.458 1.041 0 50 HDAA CS(=O)(=O)NC[C@H]1CCCCN1S(=O)(=O)c1cnn(Cc2ccccc2)c1 477171257 ZXVHYVHPACYMLJ-MRXNPFEDSA-N 412.537 1.024 0 50 HDAA O=C1CO[C@]2(CCN(C(=O)c3ccc(CN4CCc5ccccc5C4)cc3)C2)CN1 1772815850 ZUWZJSLVJDRRHK-XMMPIXPASA-N 405.498 1.976 0 50 HDAA COc1ccc(F)cc1C(=O)NC1([C@@H]2CCN(C(=O)C[C@@H]3CCNC3=O)C2)CC1 1875335001 OJQAIYZNKLDFHG-UONOGXRCSA-N 403.454 1.471 0 50 HDAA CC[C@H](C)[C@@H](C(=O)N[C@H]1CCN(c2cc(=O)n(C)c(O)n2)C1)n1cccc1C=O 2325899599 NIXDKJNYWCSAQQ-DEYYWGMASA-N 401.467 1.082 0 50 HDAA CS(=O)(=O)CC(=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1[C@H]2Cc1ccccc1 2356144892 QNVMYEBAJNKVMU-AOIWGVFYSA-N 400.500 1.622 0 50 HDAA O=C(CN1C(=O)c2ccccc2S1(=O)=O)Nc1ccccc1N1CCOCC1 4741030 KYNXKEJJMFFRFP-UHFFFAOYSA-N 401.444 1.306 0 50 HDAA O=C(NCCN1CCC[C@H](c2ccccc2)C1)c1cn(CCN2CCOCC2)nn1 11753411 HBFZDMHYVJEGOB-FQEVSTJZSA-N 412.538 1.220 0 50 HDAA CCS(=O)(=O)N1C[C@@H](C(=O)N2CCN(c3ccccc3)CC2)Oc2ccccc21 12854391 NVEFNMWZSHGRJY-FQEVSTJZSA-N 415.515 1.953 0 50 HDAA COc1ccc(S(=O)(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1OC 19943476 VCXFUNANQCIFOE-UHFFFAOYSA-N 420.487 1.939 0 50 HDAA O=C([C@H]1CCCN(S(=O)(=O)c2ccccc2)C1)N1N=CC[C@]1(O)C(F)(F)F 20614109 UKTUGVBXKZIHAU-WFASDCNBSA-N 405.398 1.556 0 50 HDAA COCC1CCN(Cc2cccc(OC)c2OC[C@H](O)CN2CCOCC2)CC1 39405472 VGPRNHXVXZDKGH-HXUWFJFHSA-N 408.539 1.626 0 50 HDAA O=C(NCc1cccnc1)[C@@H]1CCCN(C2CCN(C(=O)CN3CCCC3)CC2)C1 82161048 MPXISAKNMDWBAO-HXUWFJFHSA-N 413.566 1.497 0 50 HDAA COc1ccc(F)c(C(=O)NCCS(=O)(=O)N2C[C@H](C)O[C@H](C)C2)c1OC 170606398 GXTGCJOQMHSQAA-TXEJJXNPSA-N 404.460 1.012 0 50 HDAA COc1ccc(CCN2C(=O)N[C@H](CC(=O)NCCc3nccs3)C2=O)cc1 206237313 XLJDGDWIEOCBHJ-OAHLLOKOSA-N 402.476 1.364 0 50 HDAA CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N1CCC[C@H](N2CCCS2(=O)=O)C1 225722709 HCYNKXMZUWUJIQ-GJZGRUSLSA-N 401.529 1.412 0 50 HDAA CN1CCN(C)[C@@H](CNC(=O)c2cccc(=O)n2CCOc2ccccc2Cl)C1 229974032 CPTBRWXSPZJIJI-INIZCTEOSA-N 418.925 1.556 0 50 HDAA CC(C)C[C@H](N)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)O 257373274 UCNNZELZXFXXJQ-RCCFBDPRSA-N 407.511 1.408 0 50 HDAA CN1CCN(S(=O)(=O)c2ccc(NCc3cccc(-c4nnc[nH]4)c3)nc2)CC1 301295925 PFCPLCSSVJTNEP-UHFFFAOYSA-N 413.507 1.415 0 50 HDAA COCCN(C)CCN1C[C@@H](NC(=O)c2ccn(-c3ccccc3Cl)n2)CC1=O 328591897 QACGLPKMXMAEJR-HNNXBMFYSA-N 419.913 1.435 0 50 HDAA O=C(Nc1ccnn1[C@H]1CCS(=O)(=O)C1)C1CCN(C(=O)N2CCCC2)CC1 1339624215 ORVJIFUZWIJWGN-HNNXBMFYSA-N 409.512 1.109 0 50 HDAA Cc1cncc(C(=O)NC[C@H]2CN(CC3CCN(CC4CC4)CC3)C(=O)CO2)c1 1857679800 WHFMJTDMYKDQJH-FQEVSTJZSA-N 400.523 1.469 0 50 HDAA O=C(Cc1ccc2c(c1)OCO2)N1CC[C@H](O)[C@@](CO)(Cc2ccc(F)cc2)C1 1857735720 HXNZWXROTRIVJV-UNMCSNQZSA-N 401.434 1.912 0 50 HDAA COCCn1nnc([C@@H]2CN(C(=O)CCc3nc4ccccc4s3)CCO2)n1 1857738853 BJLFFROYLHGPNF-AWEZNQCLSA-N 402.480 1.462 0 50 HDAA CC(C)CC(=O)N1[C@H]2CC[C@@H]1CNC(=O)c1cc(F)ccc1OCCNC(=O)C2 1857739060 BMKAZJNPCFRPMM-JKSUJKDBSA-N 405.470 1.860 0 50 HDAA Cc1cn2c(=O)cc(CN3CC[C@H](O)[C@@](CO)(Cc4ccc(F)cc4)C3)nc2s1 1857739668 ZWNFBGATAMQYBV-RXVVDRJESA-N 417.506 1.992 0 50 HDAA COc1ccc([C@H]2[C@H](CO)OCCN2C(=O)c2cc(C3CC3)n(C)n2)cc1OC 1875250881 OBZLVBQXLUQKFA-PMACEKPBSA-N 401.463 1.889 0 50 HDAA C[C@@H](NC(=O)NCc1nn[nH]c1-c1ccnn1C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 1875352195 XDGKQYYALTWVON-OLZOCXBDSA-N 418.502 1.650 0 50 HDAA COc1ccc([C@@H]2[C@@H](C(=O)NCCc3cscn3)OCC(=O)N2C2CC2)cc1 1940193750 YEZWOEBGAOQIPV-MOPGFXCFSA-N 401.488 1.942 0 50 HDAA CCOC(=O)COc1ccc(S(=O)(=O)N2CCN(C(=O)OCC)CC2)cc1 798615 AQZCOLWKLXBYOK-UHFFFAOYSA-N 400.453 1.091 0 50 HDAA CCOC(=O)C1=C(C)OC(N)=C(C(=O)OCCOC)[C@@]12C(=O)Nc1ccccc12 2097512 VIHABALHLMDFRC-FQEVSTJZSA-N 402.403 1.104 0 50 HDAA biogenic CCCC(=O)N1CCN(c2cccc3c2C(=O)N(Cc2cnn(C)c2C)C3=O)CC1 12247924 GIFJBIWRRITJFZ-UHFFFAOYSA-N 409.490 1.973 0 50 HDAA Cc1noc(C)c1CO[C@@H]1CN(C(=O)CCn2cccn2)CC(=O)N(CC(C)C)C1 14535951 JMNLJOPFQGWXOQ-SFHVURJKSA-N 417.510 1.790 0 50 HDAA COc1ccc(CN2CCC[C@@H](n3cc(C(=O)NCCCO)nn3)C2)c(C)c1C 15070773 ZCHOCPANCFSHGK-GOSISDBHSA-N 401.511 1.853 0 50 HDAA CCc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCCC[C@@H]3C(=O)O)CC2)cc1 17088017 SOVOGVMUWDGPJI-MSOLQXFVSA-N 408.520 1.973 0 50 HDAA CCN1CCN(C[C@@H](O)COc2cccc(CNCCc3cscn3)c2)CC1 23374364 NYTIOTNPDSUMIR-HXUWFJFHSA-N 404.580 1.853 0 50 HDAA Cc1ccc(OCc2cc(C(=O)N3CCN(CC(=O)NC(C)C)CC3)no2)cn1 36383616 VYNJBILYCJQZKY-UHFFFAOYSA-N 401.467 1.239 0 50 HDAA CN(CCN1CCCCCC1)C(=O)[C@@H]1CCC(=O)N(CCCN2CCCC2=O)C1 39420492 ZCXGXNKOTMKXCX-LJQANCHMSA-N 406.571 1.572 0 50 HDAA CCC(=O)Nc1cccc(C(=O)NCC[C@@H]2CN(c3cnn(C)c(=O)c3)CCO2)c1 55575647 DAJROYTUYDKAHV-GOSISDBHSA-N 413.478 1.154 0 50 HDAA CN1CCN(C(=O)[C@@H]2CCCN(C3CCN(c4noc(C5CC5)n4)CC3)C2)CC1 71661824 SUBXEYDBACXNOP-QGZVFWFLSA-N 402.543 1.402 0 50 HDAA CN(C)[C@H]1CCN(CCCN2CC3(CCN(C(=O)c4ccc[nH]4)CC3)OC2=O)C1 77319673 JBFPUMSHOSNLFF-KRWDZBQOSA-N 403.527 1.468 0 50 HDAA COC(=O)C[C@H](C)N1CCN(C(=O)[C@@H](Cc2ccccc2)N2CCCOC2=O)CC1 225439609 QUVRZBWXEVAEGU-PKOBYXMFSA-N 417.506 1.536 0 50 HDAA COCc1n[nH]c(-c2cccc(NC(=O)C[C@@H]3NC(=O)c4ccccc4NC3=O)c2)n1 253396246 AXSGIGLGBABYTM-INIZCTEOSA-N 420.429 1.697 0 50 HDAA biogenic CCN(C)c1ccc(CN2CCC[C@@H](n3ncc(N4CC[C@H](O)C4)cc3=O)C2)cn1 328603134 DXUUKNSGGIKSGG-QUCCMNQESA-N 412.538 1.503 0 50 HDAA Cc1cc(NS(=O)(=O)c2cccc(C(=O)N3CC[C@H]4CC[C@@H](C3)[S@@]4=O)c2)no1 1306885389 QOHGIQRSARYLNP-CLTPODQCSA-N 423.516 1.909 0 50 HDAA Cc1cc(C(=O)NC[C@H]2[C@H]3CN(C(=O)CN4CCOC4=O)C[C@]34CC[C@H]2O4)c(C)o1 1704332626 UFLSYHDXUFUFBX-BIZBXSGISA-N 417.462 1.084 0 50 HDAA Cc1noc(C)c1CC(=O)N1C[C@@H]2CN(Cc3cc[nH]n3)C[C@]2(CCC(=O)O)C1 1772808767 AUGZGTPACMFAFH-MGPUTAFESA-N 401.467 1.382 0 50 HDAA COCCN(C)C[C@H]1COCCN(C(=O)Cn2c(C)cc(=O)c3ccccc32)C1 1857668517 XRQXMYMUJRUYFN-GOSISDBHSA-N 401.507 1.363 0 50 HDAA CCN1CC[C@@H]2C[C@@H](N3CCOCC3)CC[C@@]2(C(=O)NCCc2csc(=N)[nH]2)C1 1857681779 NQLPGCGGUHGVSX-PLMTUMEDSA-N 421.611 1.427 0 50 HDAA COc1ccc(C(=O)N2CC[C@H]3[C@@H]2CC(=O)N3CC2(Cn3ccnc3C)CC2)cn1 1857691168 YAKTZJJBMSOHEZ-ROUUACIJSA-N 409.490 1.891 0 50 HDAA O=C1N[C@@H]2COC[C@H]1CN(C(=O)C1CCN(C(=O)c3ccc(Cl)cc3)CC1)C2 1857735768 SVSYLYLTTCABIX-WBVHZDCISA-N 405.882 1.166 0 50 HDAA O=C(Cc1ccccc1Cl)N[C@H]1CC[C@H](C(=O)NCCn2cccn2)C[C@@H]1O 1940195436 CNHSJAFOKWJGOD-SZMVWBNQSA-N 404.898 1.541 0 50 HDAA O[C@H](c1ccccn1)C1CCN(c2nc3nonc3nc2N2CCSCC2)CC1 11668032 ADASZSLBRATCBB-HNNXBMFYSA-N 413.507 1.911 0 50 HDAA COC(=O)C1CCN(C[C@H](O)COc2cccc(CN3CCSCC3)c2)CC1 12304005 DVRQWYZQGATDCQ-IBGZPJMESA-N 408.564 1.860 0 50 HDAA CC1CCN(Cc2nnnn2CCCC(=O)NCc2cn3c(n2)SCC3)CC1 12446813 WWHUYQBTNJINBN-UHFFFAOYSA-N 404.544 1.304 0 50 HDAA OCCOc1ccccc1CN1CC[C@@H](N2CCN(c3ccccn3)CC2)[C@H](O)C1 12570320 DHSMMFJNKUYUIZ-NHCUHLMSSA-N 412.534 1.210 0 50 HDAA CC[C@@H](C(=O)N1CCC(C(N)=O)CC1)N(c1ccc(Cl)cc1)S(C)(=O)=O 13714618 JTOAKRLREGRXBL-HNNXBMFYSA-N 401.916 1.609 0 50 HDAA CO[C@H]1CN(C(=O)CCc2ccc3c(c2)OCO3)CC(=O)N(Cc2cccnc2)C1 14530922 YNHDRNZXOZYQJL-GOSISDBHSA-N 411.458 1.629 0 50 HDAA O=C1N[C@@H](Cc2ccc(Cl)cc2)C(=O)N2CCN(C(=O)NC3CCCCC3)C[C@H]12 14532291 KBNSPEYOEXDAAT-ZWKOTPCHSA-N 418.925 1.936 0 50 HDAA COC(=O)CCNC(=O)c1nn(CC2CC2)c2c1CN(Cc1cccc(O)c1)CC2 14541749 WSOPWRUAWSPHGM-UHFFFAOYSA-N 412.490 1.850 0 50 HDAA COc1ccc(C[C@@H]2NC(=O)[C@H]3CN(C(=O)c4cccc(C)c4)CCN3C2=O)cc1 14741842 MGJNOIVSMDVRHM-VQTJNVASSA-N 407.470 1.398 0 50 HDAA CCc1ccc(C(=O)N2CCN3C(=O)[C@H](COCc4ccccc4)NC(=O)[C@H]3C2)cc1 14744345 QXSVCRMPXHAIHN-LEWJYISDSA-N 421.497 1.617 0 50 HDAA COC(=O)[C@@H]1CCCN1C(=O)c1c(OC)cc(=O)n2c1CCN(CC(C)C)CC2 14991892 NKVKPMTXCCRTHL-INIZCTEOSA-N 405.495 1.149 0 50 HDAA CCOC(=O)N1CCN([C@H]2CC(=O)N(c3cccc(Br)c3)C2=O)CC1 19530617 IANVDKHGYZMVTR-AWEZNQCLSA-N 410.268 1.855 0 50 HDAA COCCN1CCN(Cc2ccc(OC)c(OC[C@@H](O)CN3CCCCC3)c2)CC1 19608549 IPZZZGWZCCWGFV-NRFANRHFSA-N 421.582 1.685 0 50 HDAA COc1cccc(S(=O)(=O)N2CCN(c3cc(-n4ccc(C)n4)ncn3)CC2)c1 72446697 LLOPMMHWLGJQJB-UHFFFAOYSA-N 414.491 1.490 0 50 HDAA CN1CCN([C@H]2CCN(C(=O)Cc3ccc(CO)cc3)C[C@H]2CCC(=O)O)CC1 95355367 IIUDNORIEKFBKK-UXHICEINSA-N 403.523 1.051 0 50 HDAA Cc1cn2nc(C(=O)N3CCC(NC(=O)CCc4ccccc4)CC3)cc2c(=O)[nH]1 169777007 PXSANSGLKOCFFY-UHFFFAOYSA-N 407.474 1.685 0 50 HDAA C[C@@H](O)CN(C(=O)Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)[C@H](C)CO 225516649 OGBJZCUYUNUGDS-HUUCEWRRSA-N 424.494 1.759 0 50 HDAA C[C@H](CNC(=O)c1cccc(N2NC(=O)[C@@H]3CC=CC[C@H]3C2=O)c1)N1CCOCC1 248033117 YBJVJLFPLHAKDH-ATZDWAIDSA-N 412.490 1.097 0 50 HDAA Cn1c(O)nc2ncc(-c3cccc(C(=O)N4CCO[C@H](c5nn[nH]n5)C4)c3)cc21 777246296 FDXQTTIUNFIGSU-HNNXBMFYSA-N 406.406 1.068 0 50 HDAA CN1CCN(c2ccc(C(=O)NC34C[C@@H]5C[C@H](C3)CC(n3ncnn3)(C5)C4)cc2)CC1 823792782 VWFLZRYGSHCOHD-WVKNIADZSA-N 421.549 1.903 0 50 HDAA NC(=O)[C@H]1CCCN(CCCNS(=O)(=O)c2cc(C(=O)O)c(Cl)cc2F)C1 826829033 JTAPVMLQSURCBJ-JTQLQIEISA-N 421.878 1.043 0 50 HDAA CNS(=O)(=O)c1ccc(Br)c(C(=O)NN2Cc3ccccc3C2=O)c1 1319990928 UMMCXYPDGNAXAP-UHFFFAOYSA-N 424.276 1.658 0 50 HDAA Cc1cnc(C(=O)NC[C@H]2[C@H]3CN(C(=O)CSC(C)C)C[C@]34CC[C@H]2O4)cn1 1857733035 RWTCYETZJWOUJH-DKYLXPRQSA-N 404.536 1.662 0 50 HDAA CC(C)=CCN1CCCNC(=O)c2nn(C)c3c2C[C@@H](CC3)N(C)C(=O)CCC1 1875242576 VDYPTOHAXXKCQT-QGZVFWFLSA-N 401.555 1.918 0 50 HDAA O=C(Nc1cn(CC(F)(F)F)nc1C1CC1)N1CCC2(CC1)C[C@@H](O)CNC2=O 1875329811 FCUOHQFGXJXPCD-GFCCVEGCSA-N 415.416 1.818 0 50 HDAA O=C(/C=C/c1cccs1)NCc1ccc2c(c1)C(=O)N([C@H]1CCC(=O)NC1=O)C2 2325887034 RAUWMXKUJGGKED-UABRLCRWSA-N 409.467 1.839 0 50 HDAA C[C@H](CC(=O)N=[S@]1(=O)CCCN(C(=O)c2cc(=O)n(C)cn2)CC1)C(F)(F)F 2332238768 KPMACRLSPJZINP-CTUXIKGSSA-N 422.429 1.209 0 50 HDAA O=C(O)[C@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc2c(c1)OCCO2 4343621 MGGULMIQVXJROP-INIZCTEOSA-N 402.428 1.913 0 50 HDAA COCCN1CCC(CN(C[C@H]2CCCO2)C(=O)c2cc(C)c(C)[nH]c2=O)CC1 12580653 YTBXFRISTYWIFA-LJQANCHMSA-N 405.539 1.971 0 50 HDAA Cn1cc(C(=O)O)c(C(=O)N2CCN(c3nc(C(F)F)cc(C4CC4)n3)CC2)n1 13645035 PMEGJTACRVJVAN-UHFFFAOYSA-N 406.393 1.686 0 50 HDAA O=C1N[C@@H](COCc2ccccc2)C(=O)N2CCN(C(=O)c3ccc(F)cc3)C[C@H]12 14743495 FMPQLONMLOZJOF-RBUKOAKNSA-N 411.433 1.194 0 50 HDAA COC(=O)C(=O)c1c(C(=O)OC)nc2nnc(N)n2c1-c1ccc(Cl)c(Cl)c1 16942723 QZLLCGQFFWWSED-UHFFFAOYSA-N 424.200 1.823 0 50 HDAA COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCN(C)CC3)C2)cc1Cl 19900213 LIGQDQQUJSEIQD-AWEZNQCLSA-N 415.943 1.523 0 50 HDAA Cc1n[nH]c(C)c1CCN(C)C(=O)C[C@H]1C(=O)NCCN1Cc1ccc(F)c(F)c1 23399556 LROBVXXWCSIMAV-IBGZPJMESA-N 419.476 1.696 0 50 HDAA Cn1cnnc1SCC(=O)N1CCC[C@H](N2CCN(c3ccccc3)CC2)C1 55132009 JIIGIJJTBLBPMO-SFHVURJKSA-N 400.552 1.720 0 50 HDAA CN1CCN(C(=O)C[C@@H]2C(=O)NCCN2Cc2cccc(Oc3ccccc3)c2)CC1 72151698 QDSBYPIEHUXFFC-JOCHJYFZSA-N 422.529 1.943 0 50 HDAA C[C@H](O)CCNS(=O)(=O)c1ccc2c(c1)CN(C(=O)C(=O)c1ccco1)CC2 77298924 VQRRNVAJIZGYKR-ZDUSSCGKSA-N 406.460 1.096 0 50 HDAA COc1cccc(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N(C)CCn3cccn3)[C@@H]4C2=O)c1 77321017 AAUXSVSTXXTWFS-GJPOJAMWSA-N 422.485 1.332 0 50 HDAA COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)C[C@H](C)N1CCCC1)CC2 95520282 VYZPBGYAEJPFJT-INIZCTEOSA-N 403.527 1.133 0 50 HDAA O=C1CO[C@H](COc2ccc(F)cc2)CN1C1CCN(Cc2ncccn2)CC1 299766887 ULMJBAVQQZKUKL-IBGZPJMESA-N 400.454 1.887 0 50 HDAA Cc1c(NC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)c(N2CCCC2)nn1C 1506406724 FWRKTMJKMMCYAM-UHFFFAOYSA-N 409.487 1.873 0 50 HDAA O=C(CN1CCN(c2ncccn2)CC1)N1CCC([C@H](O)c2cccs2)CC1 1506418640 UJBVAMBZDJPFNW-IBGZPJMESA-N 401.536 1.632 0 50 HDAA Cc1noc(C)c1CC(=O)N1C[C@H]2CN(Cc3cc[nH]n3)C[C@]2(CCC(=O)O)C1 1772808766 AUGZGTPACMFAFH-FOIQADDNSA-N 401.467 1.382 0 50 HDAA Cc1c(C(=O)N2C[C@@H]3CN(C(=O)CC(C)C)C[C@]3(CO)C2)[nH]c2c1C(=O)CCC2 1772813364 YPPGJOSIRXSDNR-OYHNWAKOSA-N 401.507 1.781 0 50 HDAA O=C1CN(C(=O)CCC(=O)N2CCC(c3noc4cc(F)ccc34)CC2)CCN1 1775974343 XYJRSTBQIATNBD-UHFFFAOYSA-N 402.426 1.412 0 50 HDAA CN1CCCN(C(=O)[C@@H]2C[C@@H]3CN(C(=O)C4CC4)CC(=O)N3[C@@H]2c2ccccc2)CC1 1857702316 INPZELYUAVJZOI-KCZVDYSFSA-N 424.545 1.361 0 50 HDAA CCOc1ccc2nc(N3C[C@H](C(=O)N4C[C@@H]5CNC[C@@H]5C4)CC3=O)sc2c1 1857735680 GOJYEIMIARNTBY-MCIONIFRSA-N 400.504 1.726 0 50 HDAA COc1ccc(C(=O)N2CCCO[C@H](CNC(=O)C3(NC(C)=O)CCCC3)C2)cc1 1875345360 WTJFLPRYVYQSSG-LJQANCHMSA-N 417.506 1.491 0 50 HDAA COc1ccc(Br)c2c1CCN(c1ncnc(N3CCNCC3)n1)C2 2325839475 VEJRDGMWGNMCPL-UHFFFAOYSA-N 405.300 1.615 0 50 HDAA CC(=O)Nc1cccc(NC(=O)CNC(=O)CCc2ccc3c(c2)NC(=O)CO3)c1 2325840091 OQDDFTOFLBWSIG-UHFFFAOYSA-N 410.430 1.663 0 50 HDAA CC(=O)N1CCC[C@H]1C(=O)N1Cc2ccccc2OC2(C1)CN(C(=O)[C@@H]1C[C@H]1C)C2 2325872881 QGRUIPOBWSEINX-LZQZEXGQSA-N 411.502 1.656 0 50 HDAA CCNC(=O)N1CCC(NC(=O)[C@H]2OCC(=O)N(C)[C@@H]2c2ccccc2C)CC1 2356134700 YIBFHBOUXICPCC-MOPGFXCFSA-N 402.495 1.203 0 50 HDAA COC(=O)C1CCN(C[C@@H](O)COc2cccc(CN(C)CCCN(C)C)c2)CC1 15079004 VRUVKYHIBLCNPB-OAQYLSRUSA-N 421.582 1.695 0 50 HDAA O=C1c2ccccc2C(=O)N1C[C@@H]1c2ccccc2CCN1C(=O)CN1CCOCC1 19288426 DWECDRMAVZTGQF-OAQYLSRUSA-N 419.481 1.741 0 50 HDAA Cc1cn(CCNC(=O)[C@@H]2CCCN(C3CCN(Cc4cccnc4)CC3)C2)nn1 82162715 KPRZAJKGZMLWFN-HXUWFJFHSA-N 411.554 1.474 0 50 HDAA COc1ccc(CCN2C(=O)N[C@@H](CC(=O)NCC3CCOCC3)C2=O)cc1OC 170625223 GJDZRTOHXBDKMB-INIZCTEOSA-N 419.478 1.100 0 50 HDAA biogenic O=C(NC[C@@H]1CN(C2CCN(C3CCC3)CC2)C(=O)CO1)c1ccc(F)c(F)c1 299778768 QOVQKJABTNPBRT-QGZVFWFLSA-N 407.461 1.939 0 50 HDAA C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)N1CCC[C@@]2(C1)NC(=O)NC2=O 434779946 XVOKJPDNRIYJKI-XIKOKIGWSA-N 423.311 1.470 0 50 HDAA O=C(NCc1ccc2nc(O)[nH]c2c1)[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 827748261 IBBQLSGPJQQNFY-QGZVFWFLSA-N 418.450 1.877 0 50 HDAA O=C(NCc1noc(-c2cccs2)n1)C1CCN([C@@H]2CCS(=O)(=O)C2)CC1 827758376 ZAOKVUVCWFDLRX-CYBMUJFWSA-N 410.521 1.313 0 50 HDAA C[C@@H](CCN(C)S(=O)(=O)c1ccc(NS(=O)(=O)N(C)C)cc1)N1CCCC1 952981512 XKIXLXFGOXQURS-HNNXBMFYSA-N 418.585 1.400 0 50 HDAA O=C(c1n[nH]c2c1CCC2)N1CCO[C@@H](CN2CCC(O)CC2)[C@@H]1c1ccccc1 1857715627 AMGLZKMNMLPVTE-UNMCSNQZSA-N 410.518 1.937 0 50 HDAA N[C@H](C(=O)N1CCC2(CCc3c(O)nc(N4CCOCC4)nc32)CC1)c1ccccc1 1857724420 CXCYCMNKOWOUTI-SFHVURJKSA-N 423.517 1.525 0 50 HDAA O=C(Cc1n[nH]c2ccccc12)N1CCO[C@@H](CN2CCOCC2)[C@@H]1c1cccnc1 1857727372 PTXJWDXYUTVUOL-GMAHTHKFSA-N 421.501 1.801 0 50 HDAA COC(=O)c1ccc(NS(=O)(=O)NC(=O)[C@H]2CC(=O)Nc3ccccc32)cc1 2325748498 XTZWZLNTTJUBPA-AWEZNQCLSA-N 403.416 1.372 0 50 HDAA NC(=O)CNC(=O)c1n[nH]cc1NC(=O)c1cc(F)c(Br)cc1Cl 2325840796 QJWSRFBVVNOARR-UHFFFAOYSA-N 418.610 1.432 0 50 HDAA CCS(=O)(=O)N(CC(=O)NCCCN1CCCC1)c1ccc2c(c1)OCCO2 10539141 ILYYAEASSURNJC-UHFFFAOYSA-N 411.524 1.216 0 50 HDAA CN(C)C1(CNC(=O)C[C@@H]2C(=O)NCCN2Cc2cccc(F)c2)CCCCC1 11844091 PKQLUSRJRBQIBR-LJQANCHMSA-N 404.530 1.897 0 50 HDAA COCCC(=O)N[C@H](C)c1nnc2n1CCN(Cc1ccc(O)c(OC)c1)CC2 12209946 FYUGFYHDZZGEMI-CQSZACIVSA-N 403.483 1.264 0 50 HDAA CCOC(=O)c1ccc(CNC(=O)Cn2c(-c3nonc3N)nc3ccccc32)o1 12411128 KYEFTBFGPKKGAY-UHFFFAOYSA-N 410.390 1.755 0 50 HDAA COc1cccc(N2CCN(C(=O)c3cn(Cc4ccccc4F)nn3)CC2=O)c1 12471331 MQIZGXFAOZMRFF-UHFFFAOYSA-N 409.421 1.963 0 50 HDAA COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NC(C2CC2)C2CC2)cc1OC 14974139 NJQJWLPZGCGRIM-KRWDZBQOSA-N 401.507 1.699 0 50 HDAA COc1ccc(C)cc1S(=O)(=O)NCCNc1ccc(-n2nc(C)cc2C)nn1 19924134 GQHXYOATKIDZNV-UHFFFAOYSA-N 416.507 1.987 0 50 HDAA C[C@H]1CN(Cc2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2cccc(Cl)c2)C[C@H](C)O1 20533246 IFVUYDJXTWBOHB-STQMWFEESA-N 417.897 1.734 0 50 HDAA CC[C@@H](C)NC(=O)Cn1c(=O)c2c(C(=O)OC)cc(C)nc2n(-c2ccccc2)c1=O 20573224 SUBJQTRIJBUVGN-CYBMUJFWSA-N 424.457 1.557 0 50 HDAA O=C(CCCn1nnnc1CN1CCOCC1)N[C@@H](c1ccccn1)C(F)(F)F 23340147 ICFIAOHOQCEFLQ-INIZCTEOSA-N 413.404 1.100 0 50 HDAA CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@H](NCCN1CCOCC1)C2 23353678 CGVKVTSHBTUFQU-SFHVURJKSA-N 403.571 1.698 0 50 HDAA COc1ccc(C(=O)N2CCN(c3cc(N4CCN(C)CC4)nc(C)n3)CC2)cc1 72437634 ZZDQJTFDZQGUJI-UHFFFAOYSA-N 410.522 1.508 0 50 HDAA CN(Cc1ccco1)C(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(c4ccc(CCO)cc4)C(=O)[C@H]13)O2 77471584 XFSZADIVTTTXTJ-MXBUBSDBSA-N 408.454 1.759 0 50 HDAA Cc1nnc(CN(C)C(=O)[C@H]2[C@@H]3C=C[C@@]4(CN(Cc5ccc(F)cc5)C(=O)[C@H]24)O3)o1 77516035 YOZWEDAFBZEABW-DBSRCYSRSA-N 412.421 1.458 0 50 HDAA COCC(=O)N1CCC(Oc2ccc(C(=O)N[C@@H]3CCC(=O)N(C)C3)cc2)CC1 95510900 SFZHJSAHWWJSQT-MRXNPFEDSA-N 403.479 1.053 0 50 HDAA Cc1noc(C2CCN(C(=O)CNS(=O)(=O)c3c(F)cccc3F)CC2)n1 239637012 BIHBEKBRBUSXAX-UHFFFAOYSA-N 400.407 1.341 0 50 HDAA COC(=O)c1cc(S(=O)(=O)N2CCOC[C@@H]2[C@H]2CCCC2=O)cc(F)c1F 252513387 ZLPOLWUYTOINJL-BXUZGUMPSA-N 403.403 1.510 0 50 HDAA CC[C@H](C)[C@@H](CO)NC(=O)CC[C@@H]1N=C(O)N(CCc2ccc(OC)cc2)C1=O 252536984 KBJZBAUKNHDOPE-JCGIZDLHSA-N 405.495 1.666 0 50 HDAA O=C(c1cnc2[nH]c(=O)[nH]c2c1)N1CCN(c2ccc(Br)cn2)CC1 253428779 LBQPTJQYTPUVCF-UHFFFAOYSA-N 403.240 1.371 0 50 HDAA Cc1cc(O)c([C@@H](CC(=O)NCCc2c[nH]cn2)c2ccc3c(c2)OCO3)c(=O)o1 253470520 BAGFKDJVHQFKGM-HNNXBMFYSA-N 411.414 1.987 0 50 HDAA O=c1cc(N2CC[C@H](O)C2)cnn1[C@H]1CCCN(Cc2cccc3c2OCCO3)C1 328606938 UCXFVNKIBYIWHM-HKUYNNGSSA-N 412.490 1.423 0 50 HDAA C[C@@H]1NC(=O)N(c2ccccc2NC(=O)CCn2cnc3ccccc3c2=O)C1=O 952968963 QVRVKTWASYHVOD-ZDUSSCGKSA-N 405.414 1.870 0 50 HDAA O=C(c1ccccc1-n1cnnc1)N1CC[C@H](O)[C@@](Cc2ccccc2)(C(=O)O)C1 1704337609 BLSJMBNIRBFXEH-UGKGYDQZSA-N 406.442 1.788 0 50 HDAA CCC(=O)N1CC(=O)N2[C@@H](C[C@H](C(=O)NCc3cncn3CC)[C@@H]2CC(C)C)C1 1875245417 YWVNQEPFYVXRQS-SZMVWBNQSA-N 403.527 1.403 0 50 HDAA CCC(=O)NCc1cn([C@@H](C)CNC(=O)C[C@@H]2C(=O)Nc3cc(OC)ccc32)nn1 2325850526 APCRVOLWMDYVSG-LRDDRELGSA-N 414.466 1.116 0 50 HDAA CCOc1ccc2nc(NC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)sc2c1 2857257 RPEZFUYNUPBHCP-UHFFFAOYSA-N 414.447 1.081 0 50 HDAA CCOC(=O)C1=C(C)N=c2s/c(=C/c3cnn(C)c3)c(=O)n2[C@H]1c1ccc(O)cc1 8455050 NCXQCUZMZLLJMJ-WBNHJWIASA-N 424.482 1.237 0 50 HDAA O=C1NCCN(Cc2cccs2)[C@H]1CC(=O)N1CCN(C2CCCC2)C(=O)C1 55036521 CPNSTGZCAXGQAB-KRWDZBQOSA-N 404.536 1.052 0 50 HDAA O=C(Nc1ccc2c(c1)OCCO2)N1CCN(c2cc(-n3ccnc3)ncn2)CC1 67604131 KYGNXCRYDVFJRE-UHFFFAOYSA-N 407.434 1.788 0 50 HDAA Cn1c(C(=O)NCc2cccnc2Oc2ccc(F)c(F)c2)cc(=O)n(C)c1=O 67676173 LDFNVVKWOPPMKO-UHFFFAOYSA-N 402.357 1.480 0 50 HDAA Cc1ccc(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N3CCc5n[nH]cc5C3)[C@H]4C2=O)cc1C 77287922 NIPZFPYXSJPIKT-XARGGIHNSA-N 418.497 1.893 0 50 HDAA CCOC(=O)[C@@H](Cc1ccncc1)NC(=O)c1nc(S(C)(=O)=O)n2ccccc12 170608953 BLRLHFGANHDIPS-CQSZACIVSA-N 416.459 1.037 0 50 HDAA Cn1cc([C@@H]2C[S@@](=O)CCN2C(=O)COc2cccc(Br)c2)cn1 170614423 HBKCNRRYTAHTFI-OWJWWREXSA-N 412.309 1.894 0 50 HDAA COc1cc(CN[C@H]2CC[C@H](O)CC2)ccc1OC[C@H](O)CN1CCSCC1 243957144 CGMZEBYHGDFWTD-GUDVDZBRSA-N 410.580 1.877 0 50 HDAA O=C(Nc1nccs1)c1ccc(S(=O)(=O)N2C[C@@H]3C[C@H]4C[C@H]3[C@@H]2[C@H]4O)cc1 408521055 GJXGDUPFBJYKJS-RWBGONCASA-N 405.501 1.785 0 50 HDAA Cn1cnn(CCC(=O)N2CCC(c3nccc(-c4ccc(F)cc4)n3)CC2)c1=O 952894575 RUWAWIVSVBGBJW-UHFFFAOYSA-N 410.453 1.974 0 50 HDAA O=C(c1cn(-c2ccccc2)nn1)N1C[C@H]2CN(Cc3ccns3)C[C@@]2(CO)C1 1772805402 NLDWHHJRJVQXQB-QRWLVFNGSA-N 410.503 1.290 0 50 HDAA CCc1ncc(S(=O)(=O)N2CCO[C@]3(CCN(c4nncc(C)c4C)C3)C2)[nH]1 1857668087 ITBUIOSQPPNJOR-SFHVURJKSA-N 406.512 1.049 0 50 HDAA O=C(O)[C@@H]1CN(Cc2ccc(OCCN3CCOCC3)cc2)CC12CCOCC2 1857687086 KJUMALOSKHWTBV-FQEVSTJZSA-N 404.507 1.711 0 50 HDAA Cc1cn(C)nc1C(=O)N1CC[C@]2(CCN(C(=O)c3ccc(O)nc3Cl)C2)C1 1875362189 UYFBJMFLTLLVOF-IBGZPJMESA-N 403.870 1.861 0 50 HDAA Cc1cc(C)n(-c2cccc(C(=O)N[C@H]3COC[C@H]3CS(=O)(=O)N(C)C)c2)n1 1940195137 MSVJQMCFFDUXQN-WMZOPIPTSA-N 406.508 1.125 0 50 HDAA Cc1nnc(SCC(=O)N2CCN(c3nnnn3-c3ccccc3)CC2)s1 2890929 ZPFACJQSOLDEJQ-UHFFFAOYSA-N 402.509 1.263 0 50 HDAA CCN(CCn1cccn1)C(=O)C[C@H]1C(=O)NCCN1Cc1ccc(F)c(F)c1 13593157 NGQYDCCNALKHSG-SFHVURJKSA-N 405.449 1.401 0 50 HDAA O=C1CN(C(=O)c2cnccn2)C[C@H](OCc2cccnc2)CN1Cc1ccccc1 14732494 DKOWRFBASHXLSJ-HXUWFJFHSA-N 417.469 1.942 0 50 HDAA CN1CCN(C(=O)c2cn(CCCNC(=O)Cc3cccc(Cl)c3)nn2)CC1 23129922 VORCYDOFJNSWRE-UHFFFAOYSA-N 404.902 1.068 0 50 HDAA O=C(CN1CC=C(c2ccccc2)CC1)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 242038608 VMLNRBQNEHVXGU-SFTDATJTSA-N 418.559 1.970 0 50 HDAA C[C@@H](C(=O)N1CC[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1)N1CCSCC1 253417669 DGRPRAHMKSLUCM-DLBZAZTESA-N 412.600 1.577 0 50 HDAA NS(=O)(=O)c1ccc(CCN[C@H]2CNC(=O)c3cc(-c4cccs4)nn32)cc1 263615966 GGVXWMHJNQBFNE-QGZVFWFLSA-N 417.516 1.333 0 50 HDAA C[C@@]1(c2cccc(CNC(=O)[C@@H]3CC(=O)N(c4ccc(F)cc4)C3)c2)NC(=O)NC1=O 1338671754 WNLMDNNICYRILD-PEBXRYMYSA-N 424.432 1.550 0 50 HDAA COc1ccc(C(=O)N2CCOCC2)cc1NC(=O)N1[C@@H](C)[C@@H](C)NC(=O)[C@H]1C 1476064000 XHDCENBWYJWIIV-HZSPNIEDSA-N 404.467 1.297 0 50 HDAA Cc1c(C(=O)N2CCC3(CC2)CO[C@H](CN)C3)nnn1Cc1ccc(F)cc1F 1775988882 NUBZCMSDDIAFLD-INIZCTEOSA-N 405.449 1.883 0 50 HDAA Cc1nsnc1C(=O)NC[C@H]1[C@H]2CN(Cc3c(C)noc3C)C[C@]23CC[C@H]1O3 1857716380 JLOHGCDSZIMUQF-GKDNMFGBSA-N 403.508 1.861 0 50 HDAA Cc1cc(C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2n2ccnc2-c2ccc(F)cc2)on1 1857722400 UTSVBYWCCPOSME-HUUCEWRRSA-N 404.423 1.754 0 50 HDAA CN1C[C@@H]2COC[C@H](C1)N(C(=O)c1ccc3c(c1)nc(O)n3[C@H]1CC[C@H](O)CC1)C2 1875241942 HSQYAXFEBILUCA-DKIMLUQUSA-N 414.506 1.621 0 50 HDAA Cc1ccc(N2C[C@@H](O)[C@]3(C2)[C@H](c2ccccc2)[C@H]3CNC(=O)c2ncc[nH]2)nn1 2356143130 WBLVTWVKQXCIPC-VALFRTSSSA-N 404.474 1.519 0 50 HDAA O=C(NCCNC(=O)c1cc2c(s1)CCOC21CCNCC1)c1ccncc1 2356157865 VDBZJQLRGCBTBT-UHFFFAOYSA-N 400.504 1.454 0 50 HDAA COc1ccc(C(=O)NCc2ccc(C)cc2)cc1S(=O)(=O)N1CCOCC1 3554542 VMKOOYPMZADQRQ-UHFFFAOYSA-N 404.488 1.955 0 50 HDAA CCn1c(SCC(=O)N2CCOCC2)nnc1[C@H](C)NC(=O)c1ccccc1 4842458 DFZAKYDOHXPMBU-AWEZNQCLSA-N 403.508 1.740 0 50 HDAA CCOC(=O)N1CCC(NCc2cc(OC)ccc2OC[C@@H](O)CN(C)C)CC1 12195228 JMFCUISMMAIVRN-SFHVURJKSA-N 409.527 1.707 0 50 HDAA O=C(NCCc1nnc2n1CCN(Cc1ccc(F)cc1F)CC2)C1CCOCC1 19739857 KNYAGBKMERNFLJ-UHFFFAOYSA-N 419.476 1.700 0 50 HDAA O=C1NCCN(Cc2ccoc2)[C@@H]1CC(=O)N1CCN(c2nc3ccccc3o2)CC1 55061043 BJIYMFDZJZAIPS-GOSISDBHSA-N 423.473 1.460 0 50 HDAA CC(C)NC(=O)c1cn(CCN2CCN(C(=O)c3cccc(Cl)c3)CC2)nn1 59322665 DLRWMGIBGHNVBX-UHFFFAOYSA-N 404.902 1.528 0 50 HDAA Cc1nc(CN(C)C(=O)[C@H]2[C@@H]3C=C[C@@]4(CN(Cc5ccc(C)c(C)c5)C(=O)[C@H]24)O3)no1 77394185 YWEURZOQULYHQE-UDSSINMLSA-N 422.485 1.935 0 50 HDAA Cc1ccc(CCN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N3CCc5n[nH]cc5C3)[C@H]4C2=O)cc1 77394420 AGKFGJLCQVLCQC-CIEVZJJWSA-N 418.497 1.628 0 50 HDAA CN(CCCn1cccn1)C(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(Cc4cccnc4)C(=O)[C@H]13)O2 77408090 HYSHTZABLUMHAF-OZIGNCPNSA-N 407.474 1.109 0 50 HDAA CCCC[C@@H]1C(=O)N(C)CCN1C(=O)c1ccc(OCC(=O)N2CCOCC2)cc1 952985445 HEBBZMPXTAYNDG-LJQANCHMSA-N 417.506 1.397 0 50 HDAA C[C@@H]1CCc2cc(F)ccc2N1C(=O)CN1CCN(c2ncccc2C(N)=O)CC1 1506419361 ONWLLTGDBITHLS-OAHLLOKOSA-N 411.481 1.810 0 50 HDAA CCS(=O)(=O)N1CCC2(CC1)OCCc1cc(OC[C@@H]3CCC(=O)N3)ccc12 1857675272 QIKZABMLALFQPG-INIZCTEOSA-N 408.520 1.558 0 50 HDAA Cc1nc2ncnn2c(C)c1CCC(=O)N[C@@H]1CCC[C@@H](CN2CCOCC2)C1 2100555361 SHJIGIUUTWMXON-QZTJIDSGSA-N 400.527 1.681 0 50 HDAA Cc1cn2cc(C(=O)N(C)[C@H](CNC(=O)C[C@H]3CCC(=O)N3)C3CC3)sc2n1 2325823669 ACQWOSFFSDDYAE-ZIAGYGMSSA-N 403.508 1.340 0 50 HDAA COc1ccc(N2C(=O)C[C@H](N3CCC(C(N)=O)(N4CCCCC4)CC3)C2=O)cc1 1246473 KQHOZNLYLAZSEB-SFHVURJKSA-N 414.506 1.133 0 50 HDAA CN1C(=O)c2cccc(N3CCN(C(=O)[C@H](O)c4ccc(Cl)cc4)CC3)c2C1=O 11791131 NZMCUQJDNTWPMC-GOSISDBHSA-N 413.861 1.948 0 50 HDAA COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NCCCc2cccnc2)c(F)c1 11820667 QOVGGOHDHMTUGF-HXUWFJFHSA-N 414.481 1.669 0 50 HDAA Cn1c(CCNC(=O)Cc2ccc3c(c2)OCO3)nnc1SC[C@H]1CCCO1 12219185 CANXEDFJSJRMKC-CQSZACIVSA-N 404.492 1.716 0 50 HDAA O=C1CC[C@@H](C(=O)N2CC(=O)N(C3CCCCC3)C[C@H](OCc3cccnc3)C2)N1 14543245 CQJUJQKOJDTGGQ-MOPGFXCFSA-N 414.506 1.249 0 50 HDAA Cc1c(CN2CCC3(CC2)C(=O)N(CCCc2ccncc2)C(=O)N3C)cnn1C 14732423 CPEOOFHUCWVBAH-UHFFFAOYSA-N 410.522 1.985 0 50 HDAA CCOC(=O)N1CCN(C(=O)C[C@@]2(c3cccc(F)c3)CC(=O)N(C)C2=O)CC1 20271227 WEDGYKPRQTVIBU-HXUWFJFHSA-N 405.426 1.143 0 50 HDAA COCCN1CCC(CN(C[C@@H]2CCCO2)C(=O)c2ccn3nnnc3c2)CC1 96166253 DANZXFYZSOCGAP-SFHVURJKSA-N 402.499 1.104 0 50 HDAA CN1CC[C@H](N2CCC(NC(=O)c3cccc(NC(=O)[C@H]4CCCO4)c3)CC2)C1=O 239762183 CLDUQPPFUHJNKE-RBUKOAKNSA-N 414.506 1.229 0 50 HDAA CC(C)c1ncc(S(=O)(=O)N2CCC[C@@H](n3ncc(N4CCC4)cc3=O)C2)[nH]1 328602717 CLFZWMBTPPVEKC-CQSZACIVSA-N 406.512 1.326 0 50 HDAA O=C1CN(C(=O)c2ccc(CNC(=O)N[C@H]3[C@@H]4c5ccccc5CC[C@H]43)cc2)CCN1 435795162 PJPBGVSIOZGHAI-CEMLEFRQSA-N 418.497 1.786 0 50 HDAA Cc1cc(-c2nn(C)c(Cl)c2CN2CCN(c3ncccc3C(N)=O)CC2)no1 952967159 IXYXFRFUKJAUSI-UHFFFAOYSA-N 415.885 1.853 0 50 HDAA NC(=O)NCC(=O)N[C@@H]1[C@H]2CC[C@@H]1CN(Cc1cccc(OC(F)(F)F)c1)C2 1857693022 FIYJDUFZQZBOFF-VIKVFOODSA-N 400.401 1.580 0 50 HDAA CCOc1ccc2nc(N3C[C@@H](C(=O)NCCn4cc(C)nn4)CC3=O)sc2c1 1857722668 MYZGARJTPRVWTN-ZDUSSCGKSA-N 414.491 1.764 0 50 HDAA O=C(C[C@@H]1CCCN(c2nc3ncccc3o2)C1)N1C[C@H]2C[C@H](O)[C@H](O)C[C@H]2C1 1857726354 NDCKMKFDKHGOFG-SIRPWMCASA-N 400.479 1.420 0 50 HDAA COC(=O)CN=c1[nH]c(C)nc2c1CC[C@]21CCCN(C(=O)c2cscn2)C1 1875240632 FPBLBCDCNWSJLG-IBGZPJMESA-N 401.492 1.369 0 50 HDAA CC[C@H](OC)C(=O)N1CCc2nc(C(=O)NCc3ccc(F)c(F)c3)cn2CC1 1875246735 LRBHMVHSJMXXSA-KRWDZBQOSA-N 406.433 1.901 0 50 HDAA O=C1CC[C@H](N2Cc3ccc(-n4cc(C5(O)CCCCC5)nn4)cc3C2=O)C(=O)N1 1875357016 YAWWJIBHLZGLAK-INIZCTEOSA-N 409.446 1.180 0 50 HDAA Cc1cc(NC(=O)CN(C)[C@@H]2CCS(=O)(=O)C2)n(Cc2cccc(Cl)c2)n1 2100483258 GCZQTNDMTYILTI-MRXNPFEDSA-N 410.927 1.951 0 50 HDAA C=CC(=O)NC[C@H](OC)C(=O)N1CCC([C@H]2C(=O)Nc3cc(Cl)ccc32)CC1 2325901758 WWBIPTDEWFDIQV-FUHWJXTLSA-N 405.882 1.932 0 50 HDAA CC1CCN(Cc2nnnn2CC(=O)N2CCC[C@H](C(=O)c3ccccn3)C2)CC1 12748632 WEBRPRJWHWKVFT-KRWDZBQOSA-N 411.510 1.422 0 50 HDAA COC(=O)CN1C(=O)N(Cc2ccccc2)C2(CCN([C@H]3CCSC3)CC2)C1=O 14532695 WYDDPHYFAJCAHS-KRWDZBQOSA-N 417.531 1.964 0 50 HDAA COC(=O)CCN1C[C@H](OCc2ccncc2)CN(C(=O)c2occc2C)CC1=O 14746895 KHUKWGICKYBUSR-KRWDZBQOSA-N 415.446 1.416 0 50 HDAA COc1cccc(CC2=NO[C@H](C(=O)NC[C@H](O)COc3cccc(OC)c3)C2)c1 14973915 WJQQPTLJINVQOT-UWJYYQICSA-N 414.458 1.947 0 50 HDAA COC(=O)c1ccc(N2C(=O)C[C@H](N3CCN(Cc4ccccc4)CC3)C2=O)cc1 22972817 BZBFJEKCWGCIHZ-FQEVSTJZSA-N 407.470 1.923 0 50 HDAA COc1ccc(C[C@@]2(CCC(=O)NCCCN3CCOCC3)CCC(=O)N2)c(F)c1 23129442 GUQYOPARSUTHFA-JOCHJYFZSA-N 421.513 1.644 0 50 HDAA CC(C)(N)C(=O)N1CCC(n2nccc2NS(=O)(=O)Cc2ccccc2)CC1 67654327 JWEBRCKPONLLSK-UHFFFAOYSA-N 405.524 1.726 0 50 HDAA O=C1NC[C@H](C(=O)N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)N1 77343493 PCOHBGOOTILTMY-GOSISDBHSA-N 400.429 1.880 0 50 HDAA CCCCN1CCN([C@H](C(=O)N2CCC3(CCO3)CC2)c2ccccc2)C(=O)C1=O 77485967 PTIMQPJKRMABRF-IBGZPJMESA-N 413.518 1.980 0 50 HDAA CN(C[C@@H]1CCCN2CCCC[C@H]12)C(=O)Cn1ccc2c(cnc3ccnn32)c1=O 253409770 MJKKMNROIXQSTB-FUHWJXTLSA-N 408.506 1.767 0 50 HDAA biogenic CN(C)C[C@@]12CN(C(=O)Cc3cccs3)C[C@H]1CN(C(=O)c1cncc(F)c1)C2 1772700505 BYETUAWVTYDJGN-KKSFZXQISA-N 416.522 1.987 0 50 HDAA CCOC(=O)[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CCN(C(=O)c1ccnc(O)c1)C2 1857677235 SKUUNWYODCBOEA-JBYIUTFZSA-N 417.506 1.684 0 50 HDAA CC(C)(C)CCN1CCOC2(CCN(C(=O)Cn3cccnc3=O)CC2)CC1=O 1857692645 NRSSQAUOKHWNOG-UHFFFAOYSA-N 404.511 1.290 0 50 HDAA OC[C@H](Cn1cnc2c(N3CC[C@@H](O)[C@H](C4CCCC4)C3)ncnc21)[C@@H]1CCOC1 1875269228 NVSDETRRKMZZMN-YDZRNGNQSA-N 415.538 1.849 0 50 HDAA COc1ccc([C@H]2NC(=O)CO[C@@H]2C(=O)N2CCC3(CCCO3)CC2)cc1OC 2100477523 ABJFKWMYFBWZIA-MOPGFXCFSA-N 404.463 1.432 0 50 HDAA COC(=O)COc1ccc(Oc2nc(NC(C)(C)C)nc(N3CCOCC3)n2)nn1 1109356 CZORALPNVABAGZ-UHFFFAOYSA-N 419.442 1.053 0 50 HDAA CCN(CCn1cccn1)Cc1cccc(OC[C@@H](O)CN2CCC(O)CC2)c1 11813800 CRGQTWBWYHQYAU-NRFANRHFSA-N 402.539 1.602 0 50 HDAA O=C(c1cc2ccccc2oc1=O)N1CCN(c2ccc(-n3cccn3)nn2)CC1 13008889 LXQVNWZJMHYSBV-UHFFFAOYSA-N 402.414 1.731 0 50 HDAA O=C1CCCN1CCCN1C[C@H](OCC2CC2)CN(C(=O)c2ccoc2)CC1=O 14534848 UFQFSHCTXZIGLR-SFHVURJKSA-N 403.479 1.372 0 50 HDAA COCCN1C(=O)N(Cc2cccnc2)C(=O)C12CCN(Cc1ccccn1)CC2 14742713 HMEPQHBBQNNULG-UHFFFAOYSA-N 409.490 1.922 0 50 HDAA CCS(=O)(=O)c1ncc(CN2CCC(OCc3ccccn3)CC2)n1CCOC 15062611 BVTXZPTUJVBYQD-UHFFFAOYSA-N 422.551 1.899 0 50 HDAA O=C1NCCN(Cc2ccc(F)cc2Cl)[C@H]1CC(=O)N1CCc2[nH]ncc2C1 19745919 HJBZFXYMTYUXOC-KRWDZBQOSA-N 405.861 1.478 0 50 HDAA O=C1c2ccccc2C(=O)N1C[C@H]1CN(c2ccc(N3CCOCC3=O)cc2)C(=O)O1 38253714 KUQNYAUTIWQAKY-MRXNPFEDSA-N 421.409 1.671 0 50 HDAA in-vitro Cc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NCCc2nc3ccccc3n2C)o1 55107590 PHUXLBKBBQFORC-LJQANCHMSA-N 409.490 1.524 0 50 HDAA CCOc1ccc(S(=O)(=O)N2CCN(c3cc(-n4cccn4)ncn3)CC2)cc1 65364277 LRDCDWOERXNUIX-UHFFFAOYSA-N 414.491 1.572 0 50 HDAA COc1cccc(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N(C)Cc3ncc[nH]3)[C@@H]4C2=O)c1 77505706 IWRYJGMKNBNXMC-VGYLUTEMSA-N 408.458 1.359 0 50 HDAA CO[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@H](O)[C@H]1N1C(=O)c2ccccc2C1=O 255984887 LDLANDFJIIDMRD-CQSOASKCSA-N 411.410 1.498 0 50 HDAA in-vitro Cc1nc(C)c(C(=O)NC[C@@H]2CN(CC3CCN(CC4CC4)CC3)C(=O)CO2)o1 299788007 UPKFRFVAUHTTDE-GOSISDBHSA-N 404.511 1.371 0 50 HDAA O=C(c1ccc(Cl)cc1O)N1CCC[C@@H](n2ncc(N3CC[C@H](O)C3)cc2=O)C1 328602950 DHVQNAPBPOJDLS-ZBFHGGJFSA-N 418.881 1.651 0 50 HDAA CS(=O)(=O)N1CCN(C(=O)[C@H]2CC[C@H](CN3Cc4ccccc4C3=O)CC2)CC1 1775970810 DFRYMEWYEPTUOJ-QAQDUYKDSA-N 419.547 1.553 0 50 HDAA Cc1ccn(CCC(=O)NC[C@H]2CN(CC3CCN(CC4CC4)CC3)C(=O)CO2)n1 1857693346 SJQJZRYJPIZAMO-FQEVSTJZSA-N 417.554 1.047 0 50 HDAA CCN1CC[C@@H]2C[C@@H](N3CCOCC3)CC[C@@]2(C(=O)NCc2cnn(C)c2C)C1 1857693907 RPWINAJTGDENHM-RZUBCFFCSA-N 403.571 1.558 0 50 HDAA COC1(C(=O)N[C@@H]2CCc3ccccc32)CCN(S(=O)(=O)c2cn[nH]c2)CC1 1857719542 PFESFCGRPNEPNK-QGZVFWFLSA-N 404.492 1.383 0 50 HDAA COc1cc(COCC(=O)N2CC[C@@H](NC(=O)[C@@H]3CCc4c[nH]nc43)[C@H]2C)ccn1 2325839172 KYXVUGNDVSYPML-KBRIMQKVSA-N 413.478 1.166 0 50 HDAA O=C(C[C@@H]1C[C@@H]2C=C[C@H]1CC2)N[C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[C@H]1C(=O)NCCO 2325873034 WHZDGCWGSDIRKL-VVNNMEHBSA-N 417.550 1.267 0 50 HDAA O=C(O)[C@@H]1CC(=O)N(c2ccc(Nc3ncc(F)c(N4CCOCC4)n3)cc2)C1 2356159510 DWPLOKXMCUDWEN-GFCCVEGCSA-N 401.398 1.633 0 50 HDAA CCOC(=O)CSc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1cccc(C)c1 637388 PXICLAMZDAZKDC-UHFFFAOYSA-N 402.476 1.446 0 50 HDAA O=C(N[C@H](Cc1ccc2c(c1)OCO2)C(=O)N1CCC[C@H]1C(=O)O)c1ccccc1 2989272 VKWBFVCJTYULKJ-SJORKVTESA-N 410.426 1.832 0 50 HDAA O=C1N[C@@H](COCc2ccccc2)C(=O)N2CCN(C(=O)NCc3ccccc3)C[C@H]12 14533107 DABWBGAKSUHGNU-VQTJNVASSA-N 422.485 1.124 0 50 HDAA CCOC(=O)CC1(NC(=O)C[C@@H]2C(=O)NCCN2Cc2cccnc2)CCCCC1 14980978 DCHGCADWTCUNKL-GOSISDBHSA-N 416.522 1.544 0 50 HDAA CCOC(=O)Cn1c(=O)c2c(C(=O)OC)cc(C3CC3)nc2n(-c2ccccc2)c1=O 20167802 ILACZWIAGLWCEJ-UHFFFAOYSA-N 423.425 1.775 0 50 HDAA O=C(C(=O)N1CC[C@@H](N2CCN(CCc3ccccc3)CC2)[C@H](O)C1)c1ccco1 22925961 WEEYOQXICLWVJN-WOJBJXKFSA-N 411.502 1.284 0 50 HDAA O=C1NCCN(Cc2ccoc2)[C@@H]1CC(=O)N1CCN(c2ccccc2F)CC1 55131330 VSNNSIFMWLRNJG-LJQANCHMSA-N 400.454 1.458 0 50 HDAA CC(=O)N[C@@H](CC(=O)N1CCC[C@H]1c1nc(C(N)=O)no1)c1ccc(Cl)cc1 170614429 KBEPNBYCFCRVIB-KBPBESRZSA-N 405.842 1.753 0 50 HDAA O=C(C[C@@H]1NC(=O)N(CCc2ccccc2)C1=O)N1CCN(C(=O)c2ccco2)CC1 170625678 HTYMKVJZPRPQIN-KRWDZBQOSA-N 424.457 1.117 0 50 HDAA C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN1CCC[C@@H](C(=O)Nc2cnccn2)C1 229821948 CJVKEPXUFHSYSN-JKSUJKDBSA-N 422.489 1.891 0 50 HDAA CC[C@H](C)N1C(=O)[C@@H]2[C@H]([C@H](C)O)N[C@]3(C(=O)Nc4c3ccc(Cl)c4C)[C@@H]2C1=O 245256322 OWTVRJFUUJRVCS-JQONSGOWSA-N 405.882 1.548 0 50 HDAA Cc1ccn2c(CN3CCC[C@H](n4ncc(N5CC[C@H](O)C5)cc4=O)C3)cnc2c1 328608546 ZNKWRIZRGNVZIS-PXNSSMCTSA-N 408.506 1.608 0 50 HDAA NS(=O)(=O)c1cccc(N2C[C@@H](C(=O)N3CCc4ccc(Cl)cc43)CC2=O)c1 469039343 PCTLJBLFJKYVGF-ZDUSSCGKSA-N 419.890 1.930 0 50 HDAA COc1ccc(-n2cccn2)cc1S(=O)(=O)N1CCC[C@]2(CCC(=O)N(C)C2)C1 952871766 AMEUAPUBFZOWDV-HXUWFJFHSA-N 418.519 1.904 0 50 HDAA C[C@@H](Cn1cncn1)C(=O)NCC1CCN(C(=O)CSc2ccccn2)CC1 1506431482 MDERGADDVMCZSS-HNNXBMFYSA-N 402.524 1.456 0 50 HDAA Cc1nc(CC(=O)N2CC[C@]3(C2)CN(C(=O)c2c(C)noc2C)CCO3)cs1 1857686642 APQOPXMGARMMBV-IBGZPJMESA-N 404.492 1.743 0 50 HDAA Cc1cc(C(=O)N[C@@H]2CCC[C@@H](NC(=O)Cc3c(C)nc(C)nc3O)C2)n(C)n1 1857709521 CJCLUACSGCFPJR-HUUCEWRRSA-N 400.483 1.241 0 50 HDAA N=c1ccnc(N2[C@H]3CC[C@@H]2C[C@]3(Cc2ccccc2)C(=O)NCCc2cnn[nH]2)[nH]1 1857732446 QVJCPGLSIAFRTK-FGSXEWAUSA-N 418.505 1.336 0 50 HDAA Cc1nocc1S(=O)(=O)N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O 1875302100 ZUSKARMTERMOCX-LBPRGKRZSA-N 405.354 1.965 0 50 HDAA CC(C)N1CCO[C@@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@H]2CCCO[C@H]2C)C1 1875316662 FVPPSNHLOFJJKE-CFSBILQPSA-N 407.555 1.549 0 50 HDAA O=C(c1cn(C[C@H]2CCCNC2)nn1)N1CCCN(c2nc3ccccc3o2)CC1 2100473637 QSSDJJSCOOPIBR-INIZCTEOSA-N 409.494 1.771 0 50 HDAA O=C(c1n[nH]c(-n2cnnc2)n1)N1CCC(c2cc(Cc3ccccc3)[nH]n2)CC1 2100534494 KTTMLPJREHTSLW-UHFFFAOYSA-N 403.450 1.719 0 50 HDAA COC(=O)C1=C(N)Oc2c(oc(CO)cc2=O)[C@@H]1c1ccccc1Br 1444288 HYNJQIWKZYKZPF-GFCCVEGCSA-N 408.204 1.762 0 50 HDAA Cc1cc(I)ccc1NC(=O)CSc1nc(N)cc(=O)[nH]1 11902828 FMKJRUSFRHAPPX-UHFFFAOYSA-N 416.244 1.996 0 50 HDAA CCOC(=O)c1c(NC(=O)CN(C)Cc2cnn(CC)c2C)sc(C(N)=O)c1C 17092751 NSVQZVXSZXOSSV-UHFFFAOYSA-N 421.523 1.927 0 50 HDAA CN(C[C@H]1COCCO1)C(=O)c1coc(CN2CCN(Cc3ccccc3)CC2)n1 23360679 GFLPEHDPRPSENP-IBGZPJMESA-N 414.506 1.480 0 50 HDAA C[C@H]1CN(CC(=O)NC[C@@H](c2cccnc2)N2CCOCC2)Cc2ccccc2O1 39500693 NMSVSULXQVDDIK-RXVVDRJESA-N 410.518 1.854 0 50 HDAA COc1cccc(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N(C)Cc3ccncn3)[C@@H]4C2=O)c1 77337328 UCQDMSNXCIHCSN-VAWZGJIGSA-N 420.469 1.426 0 50 HDAA O=c1c2ccccc2ncn1C[C@H]1CC[C@H](C(=O)N[C@H]2CCS(=O)(=O)C2)CC1 252517336 GDVDKYGYKMMKGB-JYJNAYRXSA-N 403.504 1.506 0 50 HDAA COC(=O)c1cn(-c2ccc(OC)c(N3CCCS3(=O)=O)c2)cc2c(=O)[nH]nc1-2 253410948 NZJQRLKTELANTH-UHFFFAOYSA-N 418.431 1.001 0 50 HDAA Cn1nnc(-c2ccc(C(=O)N3CC[C@H](O)[C@@](Cc4ccccc4)(C(=O)O)C3)cc2)n1 1704315745 VGIAICGIYNHAAQ-AVRDEDQJSA-N 421.457 1.398 0 50 HDAA CCOCCn1nc(CC(N)=O)nc1C1CCN(c2nc3nc(C)ccc3o2)CC1 1857671471 SSHQENQCFLBMCO-UHFFFAOYSA-N 413.482 1.571 0 50 HDAA COCC(=O)N1CCC2(CC1)OCCc1cc(C(=O)NCc3ncc[nH]3)sc12 1857683497 VKKCKRUKTFVDJN-UHFFFAOYSA-N 404.492 1.438 0 50 HDAA CCCO[C@@H]1CC[C@H](C(=O)NCc2c(C)noc2C)C[C@H]1NC(=O)c1[nH]nnc1C 1857683846 OLQCQNCJLZOOGT-USXIJHARSA-N 418.498 1.728 0 50 HDAA O=S(=O)(c1ccc(F)c(F)c1)N1CCN(S(=O)(=O)c2cccs2)CC1 6740974 GOHWAYRYXLBXSX-UHFFFAOYSA-N 408.473 1.722 0 50 HDAA Cc1nn(C)c(Cl)c1S(=O)(=O)N1CCC[C@H](CNC(=O)c2cccnc2)C1 12386386 IGCQSDZRANDLKS-CYBMUJFWSA-N 411.915 1.608 0 50 HDAA Cn1nnnc1SCCNC(=O)[C@@H]1CCC(=O)N(Cc2ccc(Cl)cc2)C1 14963666 NYTLMFDCXKAFCS-CYBMUJFWSA-N 408.915 1.511 0 50 HDAA Cc1ccc(C2=NS(=O)(=O)N(C)C(C(=O)N3CCC4(CC3)OCCO4)=C2)cc1 20366868 JXGDVCUKVNQDGM-UHFFFAOYSA-N 405.476 1.224 0 50 HDAA COc1ccc(S(=O)(=O)NCCNc2ccc(-n3cccn3)nn2)c(C)c1C 65362603 SEJVFNQCJCNNMZ-UHFFFAOYSA-N 402.480 1.678 0 50 HDAA Cc1ccc(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N3CCc5n[nH]cc5C3)[C@@H]4C2=O)cc1C 77287920 NIPZFPYXSJPIKT-BLRYILKCSA-N 418.497 1.893 0 50 HDAA CN(Cc1cc[nH]n1)C(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(CCOc4ccccc4)C(=O)[C@@H]13)O2 77519299 HSOJICHOFJRKIR-VWNVYAMZSA-N 408.458 1.229 0 50 HDAA C[C@@H](NS(=O)(=O)c1c(Br)nnn1C)c1ccc2c(c1)OCCO2 170612923 YHVQYJYFSTVCGC-MRVPVSSYSA-N 403.258 1.388 0 50 HDAA NC(=O)c1ccc(NC(=O)C[C@@H]2NC(=O)N(CCc3c[nH]c4ccccc34)C2=O)cc1 170625655 YDTGNDTUFWWBTM-SFHVURJKSA-N 419.441 1.759 0 50 HDAA biogenic O=C(C[C@H]1N=C(O)N(Cc2ccccc2Cl)C1=O)NCCCN1CCOCC1 252537578 LPUFQFPVPIRIBJ-MRXNPFEDSA-N 408.886 1.193 0 50 HDAA COc1ccc(C(=O)NC[C@H]2CN(CC3CCN(CC4CC4)CC3)C(=O)CO2)cc1 299792894 HEGKXQRGNOBYFO-NRFANRHFSA-N 415.534 1.774 0 50 HDAA COCCN1C(=O)C[C@@H](CNc2nc(C)nc(N(C)C)n2)[C@@H]1c1cnn(C(C)C)c1 328602158 ANNRBUWNLHUMRO-MAUKXSAKSA-N 416.530 1.672 0 50 HDAA Cc1cccn(CC(=O)N2C[C@H]3CCC[C@@]3(c3nc(-c4cnccn4)no3)C2)c1=O 328606476 RQNJFRJELVFJOW-QVKFZJNVSA-N 406.446 1.577 0 50 HDAA Cn1c(N2CCOCC2)nc2cc(C(=O)N3C[C@H](O)[C@H](Cc4ccncc4)C3)ccc21 1704357295 OYMNXDBRBGDAOM-NQIIRXRSSA-N 421.501 1.481 0 50 HDAA CCOc1ccc(OCc2nc(CCS(C)(=O)=O)n(-c3ccnn3C)n2)cc1 1772814883 SQBADFGEFIILNZ-UHFFFAOYSA-N 405.480 1.566 0 50 HDAA CCOC(=O)[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CCN(C(=O)c1c(C)n[nH]c1C)C2 1857668361 YMURCDUSSWSBMU-JBYIUTFZSA-N 418.538 1.923 0 50 HDAA CCCO[C@H]1C[C@@H](C(=O)NC2CCS(=O)(=O)CC2)CC[C@@H]1Nc1ncccn1 1857688714 XWABRJSCOIIPPV-XIRDDKMYSA-N 410.540 1.546 0 50 HDAA Cn1nccc1C(=O)N1CCC(N2C[C@H](COc3ccc(F)cc3)OCC2=O)CC1 1857698363 NNVBANPAWILJCZ-GOSISDBHSA-N 416.453 1.470 0 50 HDAA COC(=O)CCCN1CCC(N2C[C@H](COc3ccc(F)cc3)OCC2=O)CC1 1857700095 MOTQHAQJEAAEBT-LJQANCHMSA-N 408.470 1.850 0 50 HDAA CN1CCCN(C[C@@H]2OCCN(C(=O)c3cncc(F)c3)[C@H]2c2cnn(C)c2)CC1 1857735426 DJSOGZSUBFZWSD-PMACEKPBSA-N 416.501 1.174 0 50 HDAA CCOC(=O)c1c(NC(=O)Cn2cnn(C)c2=O)sc(C(=O)N(CC)CC)c1C 1875258482 QZNXNQCKESIZJD-UHFFFAOYSA-N 423.495 1.249 0 50 HDAA NS(=O)(=O)c1ccc(CCCN2C(=O)NC[C@H](Cc3ccccc3)C2=O)cc1 1875290000 FEONAWSZGUWXNF-KRWDZBQOSA-N 401.488 1.677 0 50 HDAA Cc1ccc(N(CC(=O)N2CCC(C(N)=O)CC2)S(=O)(=O)c2ccccc2)cc1 784391 UHYNBXIVKHIFQX-UHFFFAOYSA-N 415.515 1.914 0 50 HDAA Cc1c(C(=O)Nc2ccccc2)sc2ncn(CC(=O)N3CCOCC3)c(=O)c12 791223 SCAKALGDBFKBGB-UHFFFAOYSA-N 412.471 1.878 0 50 HDAA COC(=O)c1ccccc1NC(=O)CSc1nnnn1-c1ccc(C(N)=O)cc1 2905903 XYJZXWZYUHBYLT-UHFFFAOYSA-N 412.431 1.279 0 50 HDAA COc1cccc(C(=O)NC[C@@H]2CCCN(C(=O)Cn3ccc(C)n3)C2)c1OC 11713286 CIKISLSQYKFAJA-INIZCTEOSA-N 400.479 1.877 0 50 HDAA CC(C)[C@H](NS(C)(=O)=O)c1nnc2n1CCN(Cc1c(F)cccc1F)CC2 20909057 GQLTWJWIBHACFR-KRWDZBQOSA-N 413.494 1.861 0 50 HDAA O=C(Cn1nc(O)ccc1=O)N1CC[C@]2(CCCN(Cc3ccccc3F)C2)C1 20994823 SOCCYNCPMPOINK-NRFANRHFSA-N 400.454 1.603 0 50 HDAA O=C1NCCN(Cc2cccs2)[C@@H]1CC(=O)N1CCN(C2CCCC2)C(=O)C1 55036524 CPNSTGZCAXGQAB-QGZVFWFLSA-N 404.536 1.052 0 50 HDAA COc1ccc(S(=O)(=O)NCCNc2ccc(-n3ccc(C)n3)nn2)c(C)c1C 91400283 WRDZHRHICZYZQG-UHFFFAOYSA-N 416.507 1.987 0 50 HDAA O=C(O)[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 101455489 QKPRYFGJUWCWLW-PYTWLRIVSA-N 410.467 1.406 0 50 HDAA COC(=O)C1CCN(S(=O)(=O)N2CC[C@@H](OCc3csc(C)n3)C2)CC1 170619739 WXFDYMMQVKCKOB-OAHLLOKOSA-N 403.526 1.172 0 50 HDAA Cc1ccccc1[C@H](CC(=O)N1CCN(c2nccn3cnnc23)[C@H](C)C1)NC(N)=O 433555846 WJWZJTHYDXRZMJ-WBVHZDCISA-N 422.493 1.270 0 50 HDAA O=C(NC[C@H]1CCS(=O)(=O)C1)N1CCCN(c2nc3ccccc3s2)CC1 827939140 ORCLPMVFQHPTCY-CQSZACIVSA-N 408.549 1.953 0 50 HDAA CC(C)c1ccc(N2C[C@@H](C(=O)N3CCC(NS(C)(=O)=O)CC3)CC2=O)cc1 828244725 HEUFTABYZODSSY-INIZCTEOSA-N 407.536 1.703 0 50 HDAA Cc1ccn(CC(=O)N2CCOC[C@H](CN(C)Cc3cc(-c4ccccn4)no3)C2)n1 1857709792 RQDSRCANJRNNLA-GOSISDBHSA-N 424.505 1.849 0 50 HDAA CCCCS(=O)(=O)N[C@H](C)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1occ(C)c1C 2325829760 RPDWPOMQGPEKSU-PMPSAXMXSA-N 411.524 1.430 0 50 HDAA CC[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1CCN1C(=O)OC(C)(C)C)N(C)C 2325872851 PITVTBSAWYIIQQ-QAETUUGQSA-N 408.543 1.538 0 50 HDAA COCCOc1cc(O)cc(C(=O)N2CCC[C@@]23CCCN(CCOC)C3=O)c1 2356167503 ZTATYSVJRUTRIA-OAQYLSRUSA-N 406.479 1.661 0 50 HDAA COc1ccccc1N(CC(=O)N1CCN(c2ccc(F)cc2)CC1)S(C)(=O)=O 916426 USZNFIBVUUGJRL-UHFFFAOYSA-N 421.494 1.949 0 50 HDAA O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCc2ccccc2C1 1060271 CXWBBXQJQVJQEF-UHFFFAOYSA-N 416.499 1.671 0 50 HDAA CCOC(=O)[C@H]1C(=O)N=C(N2CCN(Cc3ccccc3)CC2)N[C@@H]1c1ccco1 2357386 ZYZSZLFMTCDSCE-RTBURBONSA-N 410.474 1.804 0 50 HDAA Cc1nn(C)cc1-c1cc(C(F)(F)F)n2ncc(C(=O)NN3CCOCC3)c2n1 2780922 ZGSYMHLLEULYAV-UHFFFAOYSA-N 409.372 1.434 0 50 HDAA C[C@@H](NC(=O)c1ccc(Cl)cc1)c1nnc(SCC(=O)N2CCOCC2)n1C 9260812 ORNGPUMRPASJRK-GFCCVEGCSA-N 423.926 1.910 0 50 HDAA COc1ccc(CCN(C)[C@@H]2CCCN(C(=O)CCn3cncn3)C2)cc1OC 12385865 QHOJSDBOFSYERT-GOSISDBHSA-N 401.511 1.851 0 50 HDAA CSCCC(=O)N1CC(=O)N(CC2CCOCC2)C[C@H](OCc2ccncc2)C1 14530852 DBSCCGLKCZAIJA-IBGZPJMESA-N 421.563 1.817 0 50 HDAA O=C1CN(C(=O)c2cc(=O)c(O)co2)C[C@@H](OCC2CC2)CN1Cc1ccccc1 14538674 AXPGKILDMSAKGV-KRWDZBQOSA-N 412.442 1.625 0 50 HDAA O=C(NCCCN1CCOCC1)[C@@H]1CNC[C@H](C(=O)Nc2ccc3c(c2)CCC3)C1 14733555 STFOJNBESVSUGI-VQTJNVASSA-N 414.550 1.178 0 50 HDAA CC(=O)Nc1ccc(N2C(=O)[C@@H]3[C@H](C)N[C@@]4(C(=O)Nc5ccccc54)[C@H]3C2=O)cc1 15306475 APSOXGPIXXHVNR-VEXUKICWSA-N 404.426 1.590 0 50 HDAA O=C(Cn1nc(N2CCN(c3ccccc3)CC2)ccc1=O)NCCc1ccccc1 44921677 CLRBHLQMTUDVGC-UHFFFAOYSA-N 417.513 1.929 0 50 HDAA Cc1nn(-c2ccc(N3CCOCC3)nn2)c2c1[C@H](c1cccc(O)c1)CC(=O)N2 65363129 HGLJTTXVLZHRNY-INIZCTEOSA-N 406.446 1.987 0 50 HDAA Cc1cn2cc(CNC(=O)c3ccc(CN4CCC[C@](C)(O)C4)[nH]c3=O)nc2s1 77354324 MTJMYOYQSHCELI-FQEVSTJZSA-N 415.519 1.669 0 50 HDAA Cc1c[nH]c(CN(C)C(=O)[C@H]2[C@@H]3C=C[C@@]4(CN(Cc5ccc(F)cc5)C(=O)[C@@H]24)O3)n1 77390519 NTCDVWSTWZKJSU-UYZIEWPDSA-N 410.449 1.798 0 50 HDAA COCCNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1S(=O)(=O)c1ccc2c(c1)OCCO2 253369824 ILDZMHUOYWVUTF-UAGQMJEPSA-N 424.519 1.542 0 50 HDAA O=C(Nc1ccc2c(c1F)CCNC2=O)C(=O)NC1(C(=O)NCC2CC2)CCCC1 408518971 NQQGKRUAWYOTEQ-UHFFFAOYSA-N 416.453 1.005 0 50 HDAA CCN1C[C@@H](C(=O)N2CCC(CNC(=O)Cc3cc(F)ccc3C)CC2)CC1=O 823101439 GGOWJOIAWYSKMY-SFHVURJKSA-N 403.498 1.900 0 50 HDAA CC(C)(C)N1C[C@H](C(=O)Nc2ccc(OCC(=O)N3CCOCC3)cc2)CC1=O 952976838 PCVIQERSJNBOHX-OAHLLOKOSA-N 403.479 1.510 0 50 HDAA Cc1nc[nH]c1CN(CCN(C)C)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O 1704307879 LGLQMJYQXJWFCW-UHFFFAOYSA-N 411.503 1.214 0 50 HDAA O=C(Cc1ccc2c(c1)OCO2)N1C[C@@H]2CN(Cc3ccns3)C[C@@]2(CO)C1 1772806099 SZYNFJNVFBANAJ-YWZLYKJASA-N 401.488 1.367 0 50 HDAA NC(=O)Cc1nc(CCCc2nc3ccccc3s2)n(C[C@@H]2COCCO2)n1 1857735314 CJGDDCWSLOZBAQ-CYBMUJFWSA-N 401.492 1.506 0 50 HDAA O=C([C@@H]1CCOC1)N1CCC[C@@](Cc2cn(Cc3cccs3)nn2)(C(=O)O)C1 1875325353 WCUSPAVBAPJJPG-KUHUBIRLSA-N 404.492 1.660 0 50 HDAA CC[C@@H](CNC(=O)[C@]1(C)CCCCNC1=O)NC(=O)c1nnc(C(C)(C)C)s1 2325823881 HBIDBMCKYSGJET-HXPMCKFVSA-N 409.556 1.767 0 50 HDAA CC(C)(C)OC(=O)N(CCO)[C@@H]1CCN(C(=O)N[C@@H]2CCN(c3ccccn3)C2)C1 2325874200 DLOWCCDKTWHXIY-IAGOWNOFSA-N 419.526 1.674 0 50 HDAA NS(=O)(=O)c1ccc(CNC(=O)c2cccc(I)c2)cc1 898131 AOMZMVPPUKXQGI-UHFFFAOYSA-N 416.240 1.869 0 50 HDAA CCOC(=O)N1CCN(C(=O)CN(Cc2ccc(Cl)cc2)S(C)(=O)=O)CC1 4196012 IYGSYXFTZWWVSM-UHFFFAOYSA-N 417.915 1.402 0 50 HDAA CCn1nc(C)c(CNCc2cccc(OC[C@H](O)CN3CCOCC3)c2)c1C 11718049 NQZBHAWMYGQONQ-HXUWFJFHSA-N 402.539 1.882 0 50 HDAA O=S(=O)(c1ccc(Cl)cc1)N1CCN(c2ccc(-n3cccn3)nn2)CC1 13009224 RGMITKORCCIOPF-UHFFFAOYSA-N 404.883 1.827 0 50 HDAA O=C(CCN1CCN(CCO)CC1)Nc1ccccc1C(=O)NC1CCCCC1 19912460 OLQQCRIMGCTTHK-UHFFFAOYSA-N 402.539 1.688 0 50 HDAA Cc1nc(N2CCN(C)CC2)ncc1-c1cc(=O)[nH]c(NCCc2ccccc2)n1 36245298 FLXVSFCKTLIROC-UHFFFAOYSA-N 405.506 1.942 0 50 HDAA O=C(NCc1nc[nH]n1)[C@H]1CCCN(C2CCN(c3nc4ccccc4o3)CC2)C1 71750630 ZBFRWADOPFGMBS-HNNXBMFYSA-N 409.494 1.943 0 50 HDAA Cc1nnc(NS(=O)(=O)c2ccc3c(c2)CN(C(=O)[C@H](N)C(C)C)CC3)s1 77322179 XHFSUHXFJDDEMY-OAHLLOKOSA-N 409.537 1.515 0 50 HDAA O=C(O)CC[C@@]1(CCC(=O)N2CCCN(Cc3ccccn3)CC2)CCC(=O)N1 220249639 IDYOBIDEMCLIRX-NRFANRHFSA-N 402.495 1.410 0 50 HDAA Cn1ccc([C@@H](NC(=O)N2CCC(S(N)(=O)=O)CC2)c2ccc(Cl)cc2)n1 460885804 UGOHFZALJUSKIM-INIZCTEOSA-N 411.915 1.625 0 50 HDAA Cc1ccc(S(=O)(=O)NCCCNC(=O)c2cnc3cccc(C)n3c2=O)cc1 670441759 YRRQWKOXJZCFRT-UHFFFAOYSA-N 414.487 1.410 0 50 HDAA O=C(Cn1c(=O)oc2ccccc21)N[C@H]1C2CN3CCN(C2)CC1(c1ccccc1)C3 670462974 UWQDVROMTFPFPT-NZAVSEOKSA-N 418.497 1.278 0 50 HDAA O=C(Nc1ccc(OCC(=O)N2CCOCC2)cc1)c1ccccc1-c1nc[nH]n1 952872796 UAJXSFSFUDONOV-UHFFFAOYSA-N 407.430 1.962 0 50 HDAA Cc1nc(N2CCOCC2)sc1C(=O)N1CCNC(=O)[C@@H]1c1cccc(F)c1 1857698066 VKOXRRWQXOEOSC-HNNXBMFYSA-N 404.467 1.741 0 50 HDAA Nc1ncccc1CNC(=O)[C@H]1CC(=O)N(c2nnc(Cc3ccccc3)s2)C1 1857718866 XDEUQSNIOQJATJ-HNNXBMFYSA-N 408.487 1.775 0 50 HDAA CC1CCN(C(=O)COc2ccc(CN3CCO[C@H](c4nn[nH]n4)C3)cc2)CC1 2100534619 QAUVFEJSSMLCJK-SFHVURJKSA-N 400.483 1.411 0 50 HDAA COc1ccc([C@@H]2[C@@H](C(=O)N(C)Cc3nc(C)no3)OCC(=O)N2C2CC2)cc1 2356139040 KXFBFEZRNUUXTL-MOPGFXCFSA-N 400.435 1.476 0 50 HDAA COc1cc(/C=c2\sc3nc4cc(C)c(C)cc4n3c2=O)ccc1OCC(N)=O 678005 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O=C(NCCN1C[C@H]2C[C@H](C1)c1cccc(=O)n1C2)C1CCN(c2ncccn2)CC1 888088627 JGSZKPAKEGPESM-IEBWSBKVSA-N 422.533 1.090 0 50 HDAA O=C(CN1CCOc2ccccc2C1)N1CC[C@H](c2ccc3c(c2)OCO3)[C@@H](O)C1 1616122889 UHAFSDRSYNXRNR-MOPGFXCFSA-N 410.470 1.987 0 50 HDAA CCN1CC[C@@H]2C[C@@H](N3CCOCC3)CC[C@@]2(C(=O)NCCCn2ccnc2)C1 1857694691 IAOYZDNESKKLNE-RZUBCFFCSA-N 403.571 1.602 0 50 HDAA Cc1nc(O)c2c(n1)[C@@]1(CCCN(C(=O)CCc3c(C)nc4ncnn4c3C)C1)CC2 1857733392 IXVDCGXSQCKTOC-QFIPXVFZSA-N 421.505 1.984 0 50 HDAA CC(=O)N[C@@](C)(C(=O)N1CCN(CCN(C)C)CC1)c1cccc(C(F)(F)F)c1 1875257668 UDRGBXKNIGTDMP-LJQANCHMSA-N 414.472 1.763 0 50 HDAA CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)Nc3cccc(C)n3)c2)CC1 12421781 AGRAJGKYNLHJRJ-UHFFFAOYSA-N 402.476 1.495 0 50 HDAA COc1ccc(S(=O)(=O)NC[C@@H]2CCCN(C(=O)CCn3ccnc3C)C2)cc1 12437418 DFGFAYJYSHIDCH-KRWDZBQOSA-N 420.535 1.807 0 50 HDAA Cc1nc(C)c(CC(=O)N2CCC(N3CCC(C(=O)NC(C)C)CC3)CC2)c(=O)[nH]1 14955769 XGGYXCBFYDWVJW-UHFFFAOYSA-N 417.554 1.157 0 50 HDAA COc1ccc(C(C)C)cc1S(=O)(=O)N1CCC(C(=O)N2CCN(C)CC2)CC1 20668367 SFVCBJWXRSEHCM-UHFFFAOYSA-N 423.579 1.993 0 50 HDAA COc1cc(CNC(=O)C[C@@H]2C(=O)NCCN2Cc2cccs2)cc(OC)c1 55035747 WUCHZVFHUQWDMM-GOSISDBHSA-N 403.504 1.772 0 50 HDAA Cc1cnc(N2CCC(N3CCC[C@@H](C(=O)NCc4cccnc4)C3)CC2)nc1N 71385649 NFZFFGGYQIAQKI-GOSISDBHSA-N 409.538 1.759 0 50 HDAA CCN(C)CC(=O)N1CCC(N2CCC[C@H](C(=O)NCc3ccccn3)C2)CC1 82138572 MDRIIUBUGKPUCZ-SFHVURJKSA-N 401.555 1.353 0 50 HDAA O=C(CCCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]12)Nc1nn[nH]n1 218261860 DYQFQKSCVWYPRC-KRWDZBQOSA-N 403.402 1.733 0 50 HDAA COCCn1c([C@@H](C)NC(=O)CCN2C(=O)c3ccncc3C2=O)nc2ccccc21 252491751 LSCJIOFTIHIGGQ-CQSZACIVSA-N 421.457 1.941 0 50 HDAA CCCc1cc(C(=O)NC[C@@H]2CN(C3CCN(C4CCC4)CC3)C(=O)CO2)n(C)n1 299773473 CDZCTVQCADBKQJ-LJQANCHMSA-N 417.554 1.347 0 50 HDAA CCOc1ccc(C(=O)NC[C@@H]2CCn3ncc(C(=O)N4CCOCC4)c3C2)cc1 328607346 VUFNXYKPIJHKEA-MRXNPFEDSA-N 412.490 1.747 0 50 HDAA O=C(c1cnc2ccccn2c1=O)N1CCN(c2nnc(C(F)(F)F)s2)CC1 485607043 DDGSOPPKMMNDLC-UHFFFAOYSA-N 410.381 1.527 0 50 HDAA Cc1cccc(C[C@@H](CO)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)OCc2ccccc2)c1 787397299 JDHLKIXQRSJHPC-HBMCJLEFSA-N 412.486 1.787 0 50 HDAA COc1ccc(N2C[C@H](C(=O)N[C@H]3CCN(c4cnn(C)c4)C3)CC2=O)c(OC)c1 1322956859 GBLSRCBMXZSRGD-CABCVRRESA-N 413.478 1.185 0 50 HDAA CNC(=O)c1ccc(S(=O)(=O)NC[C@@H](c2cccnc2)N2CCCCC2)cc1 1506424358 BYBKRDMOBGHZBH-IBGZPJMESA-N 402.520 1.947 0 50 HDAA Cc1noc(C)c1CCC(=O)N1CCCN(C(=O)CCc2ccc(O)nn2)CC1 1772704298 LIANRWYKDLQPGQ-UHFFFAOYSA-N 401.467 1.413 0 50 HDAA Cc1cc(=O)c(O)c(C2(CC(=O)N[C@@H]3CCS(=O)(=O)C3)CCSCC2)o1 1776111427 WIXPGYFDJNVJCX-GFCCVEGCSA-N 401.506 1.112 0 50 HDAA Cc1ccc2nc(C)c(C(=O)N[C@@H]3C[C@H]4CO[C@@H](CC(=O)N(C)C)CN4C3)cc2c1 1857733457 LLRNVSMERNBVIJ-QYZOEREBSA-N 410.518 1.901 0 50 HDAA Cc1sc(NC(=O)C(=O)NCCN2CCCS2(=O)=O)nc1C1CCCCC1 2325820187 FBUKFTVHUINUKU-UHFFFAOYSA-N 414.553 1.589 0 50 HDAA C[C@@H](CC(=O)N[C@@H](CNC(=O)c1csc2nccn12)C1CC1)c1cnn(C)c1 2325823979 KGTWOQHLLDXKTO-WFASDCNBSA-N 400.508 1.948 0 50 HDAA O=C1NCCCn2cc(C(=O)N3C[C@@H]4C[C@H]3[C@@H]4NC(=O)[C@@H]3[C@H]4[C@@H]5CC[C@@H](C5)[C@H]43)cc21 2325872634 HHPKOCBLLCIEDL-DKDWYQSKSA-N 408.502 1.243 0 50 HDAA CCCCC/C=C/C=C/C(=O)N1C[C@@H](CNC(=O)[C@H]2CNC(=O)N2)O[C@H]2CCC[C@@H]21 2325873011 VIJMBMNBWMFVCY-MSOXRTMQSA-N 418.538 1.625 0 50 HDAA Cc1csc(NC(=O)NCc2ccc3c(c2)C(=O)N([C@H]2CCC(=O)NC2=O)C3)n1 2325886721 GLCVEGBUNFQRAS-AWEZNQCLSA-N 413.459 1.534 0 50 HDAA COC(=O)CSc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1Cl 625449 XFVCRWRBHHKWRK-UHFFFAOYSA-N 408.867 1.401 0 50 HDAA CCOC(=O)N1CCN(C(=O)CN(c2cc(C)ccc2OC)S(C)(=O)=O)CC1 5107644 XWYVXDLKBNJYQY-UHFFFAOYSA-N 413.496 1.070 0 50 HDAA C[C@H]1CN(S(=O)(=O)c2ccc(Br)c(S(C)(=O)=O)c2)C[C@H](C)O1 6730490 DUPSHSIVABYJGY-UWVGGRQHSA-N 412.327 1.651 0 50 HDAA O=C1CN(Cc2cccc(OC[C@H](O)CN3CCOCC3)c2)CCN1C1CCCC1 12075181 IMUTUWXGGKBDDC-OAQYLSRUSA-N 417.550 1.345 0 50 HDAA O=C1N[C@@H](Cc2ccc(O)cc2)C(=O)N2C[C@@H](NCc3nc4ccccc4s3)C[C@@H]12 14731424 FEEPALHTGJIHMH-WBAXXEDZSA-N 422.510 1.802 0 50 HDAA CC[C@@H](O)CNC(=O)c1sc2ncnc(NCCCN3CCOCC3)c2c1C 14986061 BRKASWPZRADODH-CQSZACIVSA-N 407.540 1.635 0 50 HDAA COc1cc(CN2CCN(C=O)CC2)ccc1OC[C@H](O)CN(C)C1CCCCC1 19221053 PTVCAINUNJTKRT-OAQYLSRUSA-N 419.566 1.973 0 50 HDAA CCOC(=O)c1c(C)n(C)c2ccc(OC[C@@H](O)CN3CCN(CCO)CC3)cc12 20060013 UCOWGZYZOFEOPF-KRWDZBQOSA-N 419.522 1.013 0 50 HDAA COc1cccc(CN(C)CCc2cnn(C)c2)c1OC[C@H](O)CN1CCOCC1 39478304 QTFZPCJCPQNWGG-HXUWFJFHSA-N 418.538 1.175 0 50 HDAA O=C(Cn1cnc2ccccc21)N1CCN(c2ccnc(N3CCOCC3)n2)CC1 72446800 LXXLNHROJHZZLS-UHFFFAOYSA-N 407.478 1.012 0 50 HDAA O=C(C[C@H]1NC(=O)N(CCc2ccccc2)C1=O)Nc1cccc(-c2ncn[nH]2)c1 206240764 XKQQDQJQQOEWMW-QGZVFWFLSA-N 404.430 1.963 0 50 HDAA CN1CCN2c3ccccc3C[C@]3(C(=O)NC(=O)N(c4ccc(F)cc4)C3=O)[C@H]2C1 245329448 ZCGAAJZZWYCMKO-XMSQKQJNSA-N 408.433 1.772 0 50 HDAA NC(=O)c1noc(CN2CC[C@]3(CCCN(Cc4ccc(F)c(F)c4)C3=O)C2)n1 426410717 ONZVIONZPYPFQI-LJQANCHMSA-N 405.405 1.461 0 50 HDAA O=C(N[C@H]1C2CN3CCN(C2)CC1(c1ccccc1)C3)c1nnc(O)c2ccccc12 828209801 ADGSTCLENUYXKR-DLQTWLKSSA-N 415.497 1.633 0 50 HDAA O=C(CCSc1nnc(-c2ccncc2)o1)N1CCN(C2CCOCC2)CC1 952969386 ADPFBLOZOGNALH-UHFFFAOYSA-N 403.508 1.937 0 50 HDAA CCC[C@]1(C(=O)O)CCN(S(=O)(=O)c2cc(-n3cccn3)ccc2OC)C[C@@H]1O 1704308847 MNODTVQGPRVHHP-HKUYNNGSSA-N 423.491 1.507 0 50 HDAA COc1cc(-c2onc(N(C)C)c2C(=O)N2CC(N3CCOCC3)C2)ccc1F 1704355946 UGCOTMZFFIPTIQ-UHFFFAOYSA-N 404.442 1.712 0 50 HDAA CCOc1ccc(CCCC(=O)N[C@@H]2CC[C@H](NC(=O)CNC(N)=O)C2)cc1C 1857675613 FQQOMCBTXWUDLH-SJORKVTESA-N 404.511 1.538 0 50 HDAA COCCN1CC[C@H](CNC(=O)C2CCN(c3nc4nc(C)ccc4o3)CC2)C1 1857732211 HNUSQGZWBYPWPV-MRXNPFEDSA-N 401.511 1.832 0 50 HDAA O=C(NCCc1nnc2n1CCC2)c1cnc2sc(Cc3ccccc3)cn2c1=O 1875255750 SWNTVPWVZQVGFO-UHFFFAOYSA-N 420.498 1.857 0 50 HDAA C[C@@H](NC(=O)c1cc(-c2ccco2)n2cnc(C(N)=O)c2n1)c1nnc2ccccn12 1875350187 DTKNUQGFLWRQMS-LLVKDONJSA-N 416.401 1.622 0 50 HDAA COc1cccc(-c2cn(-c3ccc4c(c3)CN([C@@H]3CCC(=O)NC3=O)C4=O)nn2)n1 1875355772 PZSXTJBTAWVQMD-QGZVFWFLSA-N 418.413 1.099 0 50 HDAA C=CC(=O)NCCC(=O)NC[C@H]1CCCCN1C(=O)[C@@H]1COc2ccccc2O1 1875385764 BAZXTUCWAIBYCD-QAPCUYQASA-N 401.463 1.016 0 50 HDAA CC/C=C(\CCC)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1nc2ncc(CCO)cn2n1 2325872568 DNPMOMMHFSHOQW-DJKUPCSYSA-N 412.494 1.221 0 50 HDAA Cn1c(=O)c2c(nc3n(CCO)c(-c4ccc(Br)cc4)cn23)n(C)c1=O 717728 VTAWQLIMGNAUDC-UHFFFAOYSA-N 418.251 1.108 0 50 HDAA O=C(C[C@@H]1C(=O)NCCN1Cc1cccc2ccccc12)NCCN1CCOC1=O 12706576 QLESOCFUWHZADI-LJQANCHMSA-N 410.474 1.099 0 50 HDAA O=C(NCCN1CCN(C(=O)c2ccc(Cl)cc2)CC1)C(=O)Nc1ccccc1 19805820 HRXDEXNBHLLYSJ-UHFFFAOYSA-N 414.893 1.853 0 50 HDAA CN(c1cccc(C(=O)N2CCC(C(N)=O)CC2)c1)S(=O)(=O)c1ccccc1 67338909 GXQSESPGVSIZJB-UHFFFAOYSA-N 401.488 1.849 0 50 HDAA COc1cc(OC)cc(C(=O)N2CCN(c3cc(-n4cccn4)nc(C)n3)CC2)c1 72436791 LCDPBTRPOFCMHL-UHFFFAOYSA-N 408.462 1.950 0 50 HDAA O=C(c1ccc(N2CCOCC2)cc1)N1CCN(S(=O)(=O)c2ccccc2)CC1 72438004 YFEKMLHIFOMZJM-UHFFFAOYSA-N 415.515 1.670 0 50 HDAA CN(CCCn1cccn1)C(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(Cc4cccnc4)C(=O)[C@H]13)O2 77408089 HYSHTZABLUMHAF-WEMPKCCASA-N 407.474 1.109 0 50 HDAA Cc1ccc2c(ccn2CC(=O)N2CCCN(S(=O)(=O)N3CCCC3)CC2)c1 888105560 QUWSMMWWBRVWFH-UHFFFAOYSA-N 404.536 1.825 0 50 HDAA COCCn1ccnc1CN1C[C@H]2CN(Cc3ccoc3)C[C@@]2(CCC(=O)O)C1 1772709494 HVQXWMRMXUMSQD-NQIIRXRSSA-N 402.495 1.921 0 50 HDAA CCOC(=O)[C@]1(CC)C[C@@H]2CC[C@H]1N2S(=O)(=O)c1csc(C(=O)NC)c1 1857670489 PQUIONMIXOCCEZ-FABXCBLPSA-N 400.522 1.993 0 50 HDAA COc1ccc(C(=O)N2CCN(CCO)CC2)cc1Oc1ccc(CN)cc1F 1857682501 LMNYMZAJKIRBPR-UHFFFAOYSA-N 403.454 1.835 0 50 HDAA O=C1C[C@@H]2CC[C@H](CNC(=O)c3cc(F)ccc3OCCN1)N2Cc1cccnc1 1857709276 PAERAXSFPUZQBP-ZWKOTPCHSA-N 412.465 1.882 0 50 HDAA CCCO[C@@H]1CC[C@H](C(=O)NCc2cnc(C)cn2)C[C@H]1NC(=O)c1cnc[nH]1 1875240857 IHDIUKZZUGTXHK-YXJHDRRASA-N 400.483 1.518 0 50 HDAA C[C@@]1(C(=O)O)CN(C(=O)c2ccc(-c3cn(CC4(O)CCC4)nn3)cc2F)CCO1 1875354507 YISYMRDDPYUIFP-IBGZPJMESA-N 418.425 1.315 0 50 HDAA COC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(I)c(O)c(OC)c1 627185 XRRLKAWZYGSMOO-NSHDSACASA-N 418.187 1.806 0 50 HDAA Cc1cc(C)c(C)c(C(=O)COC(=O)CNC(=O)CNC(=O)c2ccco2)c1C 2748881 VIYBZZPXSONRMF-UHFFFAOYSA-N 400.431 1.785 0 50 HDAA COc1ccc(S(=O)(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1C(=O)O 4755015 HLYAZCVBFQWLEE-UHFFFAOYSA-N 417.443 1.992 0 50 HDAA COc1ccccc1CN1CCc2nnc([C@H](NS(C)(=O)=O)C(C)C)n2CC1 12030821 FOALPLMHTGOCPC-GOSISDBHSA-N 407.540 1.591 0 50 HDAA O=C1C[C@H](N2CCN(S(=O)(=O)c3ccccc3)CC2)C(=O)N1c1ccc(F)cc1 21817313 PJQGCKJKHVHOTO-SFHVURJKSA-N 417.462 1.464 0 50 HDAA CCOC(=O)c1c(NC(=O)CN2CCN(c3ncccn3)CC2)sc2c1CCC2 35804718 NKAKBPGABGGQRC-UHFFFAOYSA-N 415.519 1.964 0 50 HDAA CCN1CCN(CCN2CC3(CCN(C(=O)c4cc(C)c[nH]4)CC3)OC2=O)CC1 77426589 OIHNTHNEMYOMDW-UHFFFAOYSA-N 403.527 1.388 0 50 HDAA CCCCN1CCN([C@H](C(=O)N(C)Cc2nc(C)no2)c2ccccc2)C(=O)C1=O 77487454 QTJUNIZLPAAOAD-SFHVURJKSA-N 413.478 1.549 0 50 HDAA O=C(CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)OCC(=O)c1ccc(Br)cc1 100523713 JYKUGGCJZPTERA-SYWGBEHUSA-N 418.243 1.982 0 50 HDAA Cc1cn2nnc(C(=O)N3CCC(C(=O)NCC4CCCCC4)CC3)c2c(O)n1 263616107 HCPKVVPDWVRZSL-UHFFFAOYSA-N 400.483 1.687 0 50 HDAA N=C(O)c1ccc(S(N)(=O)=O)c(NS(=O)(=O)C2=Cc3ccccc3CC2)c1 328593943 CIURGKNBRLOJPU-UHFFFAOYSA-N 407.473 1.946 0 50 HDAA CC(C)c1ncc(S(=O)(=O)N2CCC[C@H](n3ncc(N4CCC4)cc3=O)C2)[nH]1 328602716 CLFZWMBTPPVEKC-AWEZNQCLSA-N 406.512 1.326 0 50 HDAA C[C@@H]1CN(C[C@H]2CCCN2C(=O)C(=O)Nc2cccc(S(C)(=O)=O)c2)C[C@@H](C)O1 438775819 HOUFVHYPEXKKAS-BFYDXBDKSA-N 423.535 1.129 0 50 HDAA CN(C)C[C@]1(O)CCCN(C(=O)c2c(N3CCOCC3)noc2-c2ccccc2)C1 1704312805 ZSGVYNGCEQRURN-JOCHJYFZSA-N 414.506 1.707 0 50 HDAA CSCC(=O)N1C[C@H]2CN(C(=O)C3Cc4ccccc4C3)C[C@@]2(CCC(=O)O)C1 1772709947 TVMSPJQRPYPVGT-PGRDOPGGSA-N 416.543 1.916 0 50 HDAA COc1ccc2[nH]c(=O)c(-c3nccn3CCCN3CCC[C@@H](C(N)=O)C3)cc2c1 1857704355 OTJCHPPYMDTSSR-OAHLLOKOSA-N 409.490 1.988 0 50 HDAA CC(C)[C@@H]1CO[C@@]23CCN(S(=O)(=O)c4cccnc4C(F)(F)F)[C@@H]2CC(=O)N13 1857733159 XSEPQPGRKPDGLT-GHJWDPDVSA-N 419.425 1.847 0 50 HDAA CC(C)C[C@@H](NC(=O)CN1CCN(C(=O)c2ccc(F)cc2Cl)CC1)C(=O)O 1875258608 DVZAIAHDOWPQSM-MRXNPFEDSA-N 413.877 1.852 0 50 HDAA CN(Cc1cccc(C(N)=O)c1)C(=O)c1cccc(N2CCCNS2(=O)=O)c1 1875333349 PHVIWMYXBHOJII-UHFFFAOYSA-N 402.476 1.102 0 50 HDAA Cn1cncc1C(=O)NC[C@@H]1[C@@H](c2ccccc2)[C@]12CN(c1ccncc1)C[C@@H]2O 2356137075 QOTXTVVQZSDXLU-ZVXPMLRVSA-N 403.486 1.826 0 50 HDAA CS(=O)(=O)N1CCC(Oc2ccccc2C(=O)NCC2(O)CCCCC2)CC1 11719175 MNRUQQLYDUYHDL-UHFFFAOYSA-N 410.536 1.914 0 50 HDAA O=C(Cn1nnnc1CN1CCCCCC1)N1CCCN(Cc2ccncc2)CC1 11937374 VENGCLZBTKOLSO-UHFFFAOYSA-N 412.542 1.179 0 50 HDAA O=C(NCc1ccccn1)c1cc(NCCO)cc(S(=O)(=O)N2CCCC2)c1 14742954 APAVWEABUKZHJP-UHFFFAOYSA-N 404.492 1.200 0 50 HDAA COc1cccc(CNCCc2c(C)n[nH]c2C)c1OC[C@@H](O)CN1CCOCC1 14953975 DAYQEBUPUJWIJS-IBGZPJMESA-N 418.538 1.439 0 50 HDAA Cc1ccccc1CN1CCNC(=O)[C@@H]1CC(=O)NCCCCCN1CCOCC1 20455201 RPYIUDQNUBOVPI-NRFANRHFSA-N 416.566 1.304 0 50 HDAA CCN1CCN(C[C@H](O)COc2ccc(CNCCCSC)cc2OC)CC1 20906771 NODDZTGAYIRHPS-IBGZPJMESA-N 411.612 1.915 0 50 HDAA Cc1c(C(=O)N2CCN(CCO)CC2)cnn1-c1nccc(-c2ccccc2F)n1 20919337 ALJCVRAJZRIZDY-UHFFFAOYSA-N 410.453 1.527 0 50 HDAA COc1cc(CN2CCc3nnc(CNC(=O)c4ccncc4)n3CC2)ccc1F 20997249 ZXUYTFLWBDJZGL-UHFFFAOYSA-N 410.453 1.809 0 50 HDAA NC(=O)c1cccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccccc3)CC2)c1 42847190 MBEOOXLNMGVBJH-UHFFFAOYSA-N 401.488 1.966 0 50 HDAA CCCc1nc(N2CCC(N3CCC[C@@H](C(=O)N4CCN(C)CC4)C3)CC2)no1 71416216 UWKHSTYNZPOMQH-QGZVFWFLSA-N 404.559 1.477 0 50 HDAA Nc1cc(C(=O)N2CCC(N3CCC[C@@H](C(=O)NCCc4ccccc4)C3)CC2)n[nH]1 71774789 YPWMDMFNUBKONH-GOSISDBHSA-N 424.549 1.667 0 50 HDAA CCn1cc(NC(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C(=O)O)c(C(=O)NC2CCCCC2)n1 225694863 CQJVQYISJXRVRY-WCVJEAGWSA-N 404.467 1.782 0 50 HDAA C[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1F 427720656 UUMYNHYXUAMXPC-CJNGLKHVSA-N 408.451 1.695 0 50 HDAA CS(=O)(=O)c1cccnc1CNC(=O)[C@@H](c1ccccc1F)N1CCOCC1 489627469 HPWOECNLJYHZPS-GOSISDBHSA-N 407.467 1.314 0 50 HDAA Cc1cccc2nc(C(=O)N[C@@H]3C4CN5CCN(C4)CC3(c3ccccc3)C5)cn12 670450901 CKDGKHHJTRHQAJ-NBTXJNEHSA-N 401.514 1.940 0 50 HDAA Cn1c(O)nc2ccc(S(=O)(=O)N3CCO[C@@H](c4ccccc4)C3)cc2c1=O 825631946 XLRCOSFKNIHMOH-QGZVFWFLSA-N 401.444 1.401 0 50 HDAA Cc1c[nH]ccc1=NCCNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 827748243 GFRMMLVMHKCKOB-SFHVURJKSA-N 406.483 1.332 0 50 HDAA Cc1ccccc1S(=O)(=O)N1CCC[C@@H](CNC(=O)c2ccc(=O)n(C)c2)C1 952980409 KSXASWTZVUECRV-INIZCTEOSA-N 403.504 1.524 0 50 HDAA Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1NC(=O)c1ccc(-n2cnnn2)cc1 1318796694 FPWRPTWZWWNTLS-OAHLLOKOSA-N 401.452 1.088 0 50 HDAA CN(C)C[C@]12CN(C(=O)C3CCC3)C[C@@H]1CN(S(=O)(=O)Cc1ccc(F)cc1)C2 1772816615 XACNZWWYDAWSGU-WIYYLYMNSA-N 423.554 1.778 0 50 HDAA O=C(Cn1cccn1)N1CCC(N2C[C@@H](COc3ccc(F)cc3)OCC2=O)CC1 1857675478 AGUFRLAETMISQU-IBGZPJMESA-N 416.453 1.320 0 50 HDAA O=C(c1ncc[nH]1)N1CCC(N2C[C@@H](COc3ccc(F)cc3)OCC2=O)CC1 1857678776 RESZWFHFXPNMHU-KRWDZBQOSA-N 402.426 1.460 0 50 HDAA CCCOCC(=O)N1CC[C@@H](O)[C@]2(CCCN(C(=O)Cc3ccccc3F)C2)C1 1857681604 AUHFVUSZBWQSGC-KNQAVFIVSA-N 406.498 1.997 0 50 HDAA Cc1cnc(C(=O)N2C[C@@H]3CCC[C@]3(CNC(=O)c3cccc(C(N)=O)c3)C2)cn1 1875309054 OIQVZIMHBDXZSW-JTSKRJEESA-N 407.474 1.556 0 50 HDAA CCn1cnc2c(NCc3ccc4c(c3)C(=O)N([C@@H]3CCC(=O)NC3=O)C4)ncnc21 2325897939 NJCGYXHYOUMECW-OAHLLOKOSA-N 419.445 1.219 0 50 HDAA CCOC(=O)N1CCN(C(=S)NC(=O)c2cncc(Br)c2)CC1 678419 HQWLQMUECXIKCW-UHFFFAOYSA-N 401.286 1.633 0 50 HDAA O=C(CCCN1C(=O)c2cccc3cccc(c23)C1=O)N[C@H]1CCS(=O)(=O)C1 4173979 TYXUHCSEWITPJD-AWEZNQCLSA-N 400.456 1.519 0 50 HDAA CCN1CCN(C(=O)c2ccc(OC3CCN(S(=O)(=O)N(C)C)CC3)cc2)CC1 11934478 USDOBZDYNWSZAL-UHFFFAOYSA-N 424.567 1.114 0 50 HDAA CC(C)OCCNC(=O)C[C@@H]1C(=O)NCCN1Cc1cccc(C(F)(F)F)c1 15073139 JJBYQZKLCOJHLT-MRXNPFEDSA-N 401.429 1.937 0 50 HDAA O=C1CC[C@@H](C(=O)N2CCC(Cn3ccnc3)CC2)CN1CCCN1CCOCC1 20256526 TUUZSCVFVAXITG-HXUWFJFHSA-N 417.554 1.083 0 50 HDAA COc1ccc(OC[C@@H](O)CN2CCC(O)CC2)c(CNCCN2CCCC2)c1 20877502 VTMCRVYECHYCLP-FQEVSTJZSA-N 407.555 1.077 0 50 HDAA COCCn1cnnc1[C@H](C)NC(=O)CCc1nc(-c2ccccc2OC)no1 55225766 NSDBOHAXTBMYTK-ZDUSSCGKSA-N 400.439 1.793 0 50 HDAA O=C1NCCN(Cc2cccs2)[C@H]1CC(=O)N1CCC(O)(c2ccccn2)CC1 67559265 ZCTIEIPVKCYHEE-KRWDZBQOSA-N 414.531 1.344 0 50 HDAA COC1(c2sc3c(N4CCOCC4)nc(-c4cnc(N)nc4)nc3c2C)COC1 72316319 XOZLHJMDLKDZAL-UHFFFAOYSA-N 414.491 1.747 0 50 HDAA C[C@@H]1CN(C[C@@H]2CCCN2C(=O)C(=O)Nc2cccc(S(C)(=O)=O)c2)C[C@@H](C)O1 438775826 HOUFVHYPEXKKAS-INMHGKMJSA-N 423.535 1.129 0 50 HDAA COc1cccc(-n2cc(CNC(=O)[C@H](c3cccnc3)N3CCOCC3)cn2)c1 670454164 SJXKLXFBBYARQE-NRFANRHFSA-N 407.474 1.966 0 50 HDAA Cc1nc2ncnn2c(C)c1CCC(=O)NC12C[C@@H]3C[C@H](C1)CC(n1ncnn1)(C3)C2 828003454 CXCIMUKYACDBCQ-XBLGPDGASA-N 421.509 1.525 0 50 HDAA Cc1ccc(C(=O)N2CCC(C(=O)N3CCN(c4cc(C)nc(N)n4)CC3)CC2)cc1 952973777 DUKPPTPPRSURSH-UHFFFAOYSA-N 422.533 1.877 0 50 HDAA Cc1cn2nc(-c3cc(=O)n4cc(N5CCNC6(CC6)C5)ccc4n3)cc(C)c2n1 1250228386 ASKZRYGFUPSJPN-UHFFFAOYSA-N 401.474 1.963 0 50 HDAA Cc1c(C(=O)Nc2cccc(C(=O)N3CCC[C@H](O)C3)c2)cnn1-c1ccc(O)nn1 1320126322 DBZWGFQUMIJGBL-INIZCTEOSA-N 422.445 1.526 0 50 HDAA O[C@@H]1CN(Cc2cnc(N3CCOCC3)nc2)C[C@H]1Cc1ccnc2ccccc12 1529180591 LLEXFUJIXZNYRH-DENIHFKCSA-N 405.502 1.897 0 50 HDAA CCCO[C@H]1C[C@@H](C(=O)N2CCC3(CCCO3)CC2)CC[C@@H]1NS(C)(=O)=O 1857690426 CBBZKNCIHRZUID-ULQDDVLXSA-N 402.557 1.671 0 50 HDAA O=C1CC[C@H](N2Cc3cc(C(=O)N4CCC[C@H](OC(F)F)C4)ccc3C2=O)C(=O)N1 2325901635 OOKAAGMKGFKEPI-ZFWWWQNUSA-N 421.400 1.291 0 50 HDAA CCOc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc2Cl)cc1 3819138 JVHXJTBJCFBINQ-ADAARDCZSA-N 408.878 1.844 0 50 HDAA fda COC(=O)c1ccc2c(=O)n(CC(=O)N3CCN(c4ccccc4)CC3)cnc2c1 10009865 MVGZROJHFSHIDI-UHFFFAOYSA-N 406.442 1.532 0 50 HDAA COc1cccc(CCNC(=O)C[C@H]2C(=O)NCCN2Cc2ccccc2OC)c1 11878294 OKANJVYKYLIBGD-FQEVSTJZSA-N 411.502 1.753 0 50 HDAA CCCS(=O)(=O)N1CCC(N2CCC[C@H](C(=O)NCc3ccccn3)C2)CC1 82138443 GRPMUKXJAUDSQI-KRWDZBQOSA-N 408.568 1.614 0 50 HDAA COC(=O)c1nc(NC(=O)CC[C@H]2NC(=O)c3ccccc3NC2=O)sc1C 169772650 GFGHNHAGABENHR-GFCCVEGCSA-N 402.432 1.708 0 50 HDAA C[C@@H]1Cc2ccccc2N1C(=O)[C@@H]1CCCC[C@@H]1C(=O)N1CCO[C@@H](c2nn[nH]n2)C1 732767052 SGMFMKIEQQQRFM-NOCIGQNYSA-N 424.505 1.884 0 50 HDAA CS(=O)(=O)c1cccc(C(=O)NC23C[C@@H]4C[C@H](C2)CC(n2ncnn2)(C4)C3)c1 828172516 RCIPGUIFWLNQOB-BAUKFBFWSA-N 401.492 1.555 0 50 HDAA COCCc1noc([C@@H]2CCCCN2C(=O)c2ccc3c(c2)N(C)C(=O)CO3)n1 952982509 APMQPQRKUGSECB-AWEZNQCLSA-N 400.435 1.981 0 50 HDAA COCCCn1c(N)c(C(=O)NCCc2ccnn2C)c2nc3ccccc3nc21 1775997045 SBAVJPSOLUJGME-UHFFFAOYSA-N 407.478 1.909 0 50 HDAA O=C(N[C@H](CO)c1cc(F)c(F)c(F)c1)[C@H](O)[C@@H](O)c1nc2ccccc2s1 1875258153 GLJIKKUAIPCYPQ-DAXOMENPSA-N 412.389 1.958 0 50 HDAA O=C(NC[C@@H](CO)Cc1ccccc1Cl)c1ccc(-n2[nH]c(O)nc2=O)cc1 1875265157 UYLLJFUOCFIEFJ-LBPRGKRZSA-N 402.838 1.501 0 50 HDAA COC(=O)c1nc(N2C[C@@H]3C[C@H]2CN3C(=O)OCc2ccccc2)[nH]c2ncnc1-2 2325879723 FHIZZXVRKPXNBS-KBPBESRZSA-N 408.418 1.691 0 50 HDAA O=C1CC[C@H](N2Cc3ccc(CNC(=O)OC[C@@H]4C[C@@H]5CC[C@@H]54)cc3C2=O)C(=O)N1 2325900714 GZZAOCOZOITDFN-MBGYTDRXSA-N 411.458 1.720 0 50 HDAA O=C(CN1C(=O)c2ccccc2S1(=O)=O)Nc1ccccc1C(=O)N1CCCC1 802920 DQCRGJFTBFBFHR-UHFFFAOYSA-N 413.455 1.706 0 50 HDAA COc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@@H]2C(=O)N2CCOCC2)cc1 890153 SFRHEPWSECCNMJ-HXUWFJFHSA-N 416.499 1.670 0 50 HDAA CCOC(=O)CNC(=O)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1cccs1 1803465 XSYQUIVNJJABLP-OAHLLOKOSA-N 408.501 1.543 0 50 HDAA NS(=O)(=O)c1ccc(NC(=O)CSc2ncc(-c3ccccc3)nn2)cc1 2864489 REQNSDGHKHROAH-UHFFFAOYSA-N 401.473 1.917 0 50 HDAA COC(=O)c1ccccc1-c1cc(C)cc2c1O[C@@H](CNC(=O)c1n[nH]c(=O)[nH]1)C2 12030205 CTFIQWAALKPUTK-CYBMUJFWSA-N 408.414 1.594 0 50 HDAA CCN(CC)C(=O)Cn1cc(C(=O)N2CCCC[C@@H]2CCn2ccnc2C)nn1 12316135 YMACKLZEMPRJJU-QGZVFWFLSA-N 401.515 1.736 0 50 HDAA CS(=O)(=O)N(CC(=O)N1CCC(C(N)=O)CC1)c1ccc(C(F)(F)F)cc1 65363442 RIFODRSBFMRFBD-UHFFFAOYSA-N 407.414 1.195 0 50 HDAA CCC[C@H](N)C(=O)N1CCc2cc(S(=O)(=O)NCc3cc(C)on3)ccc2C1 77298438 RAADBVLSUCDNDL-SFHVURJKSA-N 406.508 1.474 0 50 HDAA CCOC(=O)[C@H](NC(=O)[C@@H](C)NC(C)=O)c1c(C)nn(Cc2ccccc2)c1C 170614375 ABIHMRNJBGDGOK-AUUYWEPGSA-N 400.479 1.793 0 50 HDAA COC(=O)c1cn(-c2ccc3c(c2)C(=O)N2CCC[C@H]2C(=O)N3)cc2c(=O)[nH]nc1-2 253410664 NONQODDVDMZAAE-HNNXBMFYSA-N 407.386 1.009 0 50 HDAA biogenic Cc1nc2ccccc2n1C1CCN([C@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)CC1 482905936 UKUAPXDNUWGBSW-CYBMUJFWSA-N 424.505 1.233 0 50 HDAA CCN1CCCC[C@@H]1CNS(=O)(=O)c1ccc(NS(=O)(=O)N(C)C)cc1 670469809 LDXFDIVHVNNITO-OAHLLOKOSA-N 404.558 1.058 0 50 HDAA O=C(Cc1ccc2c(c1)OCO2)N1CCCN(S(=O)(=O)N2CCCCC2)CC1 952978579 QZYMIEXQZSHEMP-UHFFFAOYSA-N 409.508 1.223 0 50 HDAA COc1cc(-c2onc(N(C)C)c2C(=O)NCCS(=O)(=O)N(C)C)ccc1F 1704307337 XCQXGKYHLMVMBH-UHFFFAOYSA-N 414.459 1.177 0 50 HDAA CN1C(=O)COc2ccc(C(=O)N3CC[C@H]4[C@@H]3CC(=O)N4Cc3cccnc3)cc21 1857686011 DTUQZSZWDLKNIZ-IRXDYDNUSA-N 406.442 1.452 0 50 HDAA CCSCC(=O)N1C[C@@H]2[C@H](CNC(=O)c3cn(CC)nc3C)[C@H]3CC[C@]2(C1)O3 1857738694 UGZXVPRXLTVGLL-CNVJLJKISA-N 406.552 1.700 0 50 HDAA O=C(N=c1nc[nH]n1-c1ncccn1)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 1875315864 KHBXEZBOHQWNLP-AWEZNQCLSA-N 411.853 1.624 0 50 HDAA CN1CCO[C@H](C(=O)NCc2cc(CNC(=O)Cc3ccc(F)cc3)ccn2)C1 2100555203 MYRJUUCOHQFEAG-IBGZPJMESA-N 400.454 1.026 0 50 HDAA C[C@@](Cc1ccc(F)cc1)(NC(=O)CCCCn1cnc2c(N)ncnc21)C(=O)O 2325851334 WRNMRXHBGMBADS-FQEVSTJZSA-N 414.441 1.920 0 50 HDAA CCOC(=O)C(CCCCN1C(=O)c2ccccc2C1=O)(NC(C)=O)C(=O)OCC 5592111 QIGXVERWJCWODY-UHFFFAOYSA-N 418.446 1.454 0 50 HDAA COc1ccccc1N1CCN(C(=O)Cc2csc(NS(C)(=O)=O)n2)CC1 12324151 WUSHTNSJQXKQRF-UHFFFAOYSA-N 410.521 1.415 0 50 HDAA COC(=O)C1CCN(C[C@@H](O)COc2cccc(CNC3CCOCC3)c2)CC1 12582618 CPXJKKWQLQICEV-HXUWFJFHSA-N 406.523 1.580 0 50 HDAA C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCC(=O)OCc1ccccc1)C(=O)O 216113775 OZFKECLMHVFMHE-HIFRSBDPSA-N 408.451 1.993 0 50 HDAA O=C1CO[C@@H](COc2ccc(F)cc2)CN1C1CCN(CCn2cc[nH]c2=O)CC1 299763533 WPVIKDXMSSOKGF-LJQANCHMSA-N 418.469 1.086 0 50 HDAA COC(=O)c1cccc(NC(=O)CN2C(=O)NC3(C[C@@H](C)C[C@H](C)C3)C2=O)c1O 436714654 URYKKSAHMBUIGX-RYUDHWBXSA-N 403.435 1.864 0 50 HDAA Cn1ccnc1[C@@]1(CNC(=O)c2c[nH]cc2-c2ccc(Cl)s2)NC(=O)NC1=O 1775985529 JHULRWSZRHAGLV-QGZVFWFLSA-N 418.866 1.595 0 50 HDAA Cc1nc(C)c(CC(=O)N2CC[C@@]34O[C@@H](c5ccccc5)CN3C(=O)C[C@@H]24)c(O)n1 1857729491 CMWLQSXGOAVZHA-HMFYCAOWSA-N 408.458 1.643 0 50 HDAA NC(=O)c1cc(C(=O)N[C@@H]2CN(C(=O)c3cc4ccccc4[nH]3)C[C@H]2C2CC2)c[nH]1 1875330830 DMLXOXQBJBCMFG-HNAYVOBHSA-N 405.458 1.876 0 50 HDAA Cn1nnc(C(=O)N2CCCN(C(=O)[C@@H](O)C3CCCC3)CC2)c1C(F)(F)F 2325828902 UXDPPJCDNFVPNQ-ZDUSSCGKSA-N 403.405 1.060 0 50 HDAA CCN1C[C@H](C(=O)N2CCCC[C@H](NC(=O)c3ccc(C(N)=O)s3)C2)CCC1=O 2325864578 SSMHHNFMRPJESW-KGLIPLIRSA-N 420.535 1.216 0 50 HDAA Cn1nccc1[C@@H]1CN(c2ncnc3c2NC(=O)CN3)CCN1Cc1ccccc1 2325873084 YSLMUQHMEOSRFS-KRWDZBQOSA-N 404.478 1.638 0 50 HDAA CN(Cc1ccc(OCC(=O)N2CCOCC2)cc1)[C@@H]1C[C@@H]2CNC(=O)C[C@@H]2C1 2356160068 BOKIVLKDOSLVKQ-OTWHNJEPSA-N 401.507 1.271 0 50 HDAA O=C(COc1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1)N1CCOCC1 707465 FJSCYYSLWYQCNT-UHFFFAOYSA-N 401.444 1.485 0 50 HDAA NS(=O)(=O)c1ccc(CCNS(=O)(=O)c2ccc(Br)cc2)cc1 1088679 RXUHPCTXOZJMSC-UHFFFAOYSA-N 419.322 1.618 0 50 HDAA O=C(C[C@H]1SC(=O)NC1=O)Nc1ccc(NC(=O)C[C@H]2SC(=O)NC2=O)cc1 2688876 PYIMXIOUKFRAMV-NXEZZACHSA-N 422.444 1.047 0 50 HDAA CCOc1ccccc1N(CC(=O)N1CC(=O)Nc2ccccc21)S(C)(=O)=O 4938201 HQWJPRYIQZOGCU-UHFFFAOYSA-N 403.460 1.837 0 50 HDAA COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)N(C)Cc2cnn(C)c2)c(C)c1C 11842386 YMZLKXYVQRQIPZ-LJQANCHMSA-N 413.522 1.395 0 50 HDAA COc1cc(CN(C)Cc2cc(C)[nH]n2)ccc1OC[C@H](O)CN1CCOCC1 12301844 RBDKANRDMYUJMA-LJQANCHMSA-N 404.511 1.431 0 50 HDAA CN(Cc1n[nH]c2c1CCCC2)C(=O)c1cn(C[C@H]2COc3ccccc3O2)nn1 12305512 BAVRPCAIPNQVKN-AWEZNQCLSA-N 408.462 1.992 0 50 HDAA CCOC(=O)CCNC(=O)N1CCC[C@@H](CNS(=O)(=O)c2cccs2)C1 12315758 NJHCTHFEVYMPGT-ZDUSSCGKSA-N 403.526 1.401 0 50 HDAA CC(C)N(CCO)C(=O)c1cccc(OC2CCN(S(=O)(=O)N(C)C)CC2)c1 12572545 NZHJKHASOBMBAE-UHFFFAOYSA-N 413.540 1.179 0 50 HDAA Cc1cc(C)n(-c2ccc(N3CCN(C(=O)c4ccc5c(c4)OCO5)CC3)nn2)n1 13009116 KTKNTUPWVGBNJX-UHFFFAOYSA-N 406.446 1.970 0 50 HDAA CC(C)(CO)CNC(=O)C[C@H]1C(=O)NCCN1Cc1cccc(C(F)(F)F)c1 55224606 SICYCIQFBBZHFX-HNNXBMFYSA-N 401.429 1.531 0 50 HDAA Cc1ccccc1-c1noc(CNC(=O)[C@H]2CCCN(S(=O)(=O)N(C)C)C2)n1 67601729 HEVGESAKZNQRSP-AWEZNQCLSA-N 407.496 1.180 0 50 HDAA CNC(=O)CNC(=O)c1cn2cc(-c3ccc(F)cc3)n(CC=C(C)C)c(=O)c2n1 72435675 CKSLMYIUOIKHJR-UHFFFAOYSA-N 411.437 1.744 0 50 HDAA CN(Cc1ccon1)C(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(CCOc4ccccc4)C(=O)[C@@H]13)O2 77377150 KDKXVDSCCIEOKD-JYLXEMOASA-N 409.442 1.494 0 50 HDAA COc1ccc(CN(C)Cc2ncc[nH]2)c(OC[C@@H](O)CN2CCN(C)CC2)c1 95520740 AMURCUAPZFHKDQ-SFHVURJKSA-N 403.527 1.037 0 50 HDAA O=C(CCc1cccnc1)NC[C@H]1CN(C2CCN(C3CCC3)CC2)C(=O)CO1 426633940 NKVGPYQVKIWSJB-FQEVSTJZSA-N 400.523 1.375 0 50 HDAA CN(C)C(=O)CN1CC2(CCN(C(=O)c3cnc4ccccc4c3)CC2)OCCC1=O 1704311727 AQFLOSIAOLOERU-UHFFFAOYSA-N 424.501 1.547 0 50 HDAA O=C(/C=C/c1cnc2ccccc2n1)N[C@@H]1CCS(=O)(=O)C2(CC(C(=O)O)C2)C1 2325770833 MARARHOPOUZIDE-GAKURGKZSA-N 415.471 1.570 0 50 HDAA O=C1CC[C@H](N2Cc3c(C(=O)Nc4ccc5c(c4)CNCC5)cccc3C2=O)C(=O)N1 2325896450 YQOIEPXLAJCIDB-IBGZPJMESA-N 418.453 1.346 0 50 HDAA O=C(CO)NC[C@@H]1[C@@H](c2ccccc2)[C@]12CN(Cc1cccc3ccnn13)C[C@@H]2O 2356167874 GWARYCZKVOZIGO-IRMYBRCSSA-N 406.486 1.019 0 50 HDAA O=C(CCCn1nnnc1CN1CCOCC1)N1CCC2(C=Cc3ccccc32)CC1 20781860 JUPRAWQMYPBGJS-UHFFFAOYSA-N 422.533 1.873 0 50 HDAA Cn1nc(C(=O)NCc2ccc(F)cc2)c2c1CC[C@H](NCCN1CCOCC1)C2 23153439 QVFCUBUJFNSPIU-SFHVURJKSA-N 415.513 1.268 0 50 HDAA CN(C)c1cncc(N2CCC(N3CCC[C@@H](C(=O)N4CCOCC4)C3)CC2)n1 71736526 JPOUCNVJDWWKRB-QGZVFWFLSA-N 402.543 1.082 0 50 HDAA Cn1ccnc1CN(C(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(Cc4cccnc4)C(=O)[C@H]13)O2)C1CC1 77517096 CGPAZGQKWGFPHX-USKVXJDGSA-N 419.485 1.288 0 50 HDAA C[C@H](NC(=O)NCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1)C(N)=O 225536327 XBTDLRDUDPSEON-ZDUSSCGKSA-N 401.433 1.391 0 50 HDAA Cc1ccc(C(=O)NC[C@@H]2CN(CC3CCN(CC4CC4)CC3)C(=O)CO2)c(O)n1 299769054 IPONFCZTWKASRG-GOSISDBHSA-N 416.522 1.175 0 50 HDAA O=C(N[C@H]1C2CN3CCN(C2)CC1(c1ccccc1)C3)c1cn(-c2ccccc2)nn1 670467201 LHAOJERQCWLALQ-IGSLEHJCSA-N 414.513 1.565 0 50 HDAA CCCn1cc(C(=O)NCC2CCN(C(=O)c3cc(O)nc(O)n3)CC2)c(C)n1 952975608 LKCREOJCTAVHJF-UHFFFAOYSA-N 402.455 1.085 0 50 HDAA CN(C(N)=O)c1cccc(NS(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)c1 1309461480 UGTZPZOAURQKDG-UHFFFAOYSA-N 410.839 1.987 0 50 HDAA CCN(CCn1cccn1)C(=O)c1c[nH]c2cc(N3CCOCC3)c(F)cc2c1=O 1506398470 DHUFVJACDNMCIK-UHFFFAOYSA-N 413.453 1.863 0 50 HDAA Cc1nc(O)cc(CN2CCC[C@@H](CNC(=O)CCc3c(C)nn(C)c3C)C2)n1 1506405613 ARFDXSNYKMCJQH-KRWDZBQOSA-N 400.527 1.802 0 50 HDAA O=C1NC(=O)[C@@]2(CCCCC[C@H]2NC(=O)c2ccc(S(=O)(=O)C3CCC3)cc2)N1 1875328937 SVYVYVTUDNSDRV-UZLBHIALSA-N 419.503 1.654 0 50 HDAA CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCc1cc(=O)n(C)c(=O)n1C 1875365366 GJXBAWVCGJVWPO-INIZCTEOSA-N 420.897 1.198 0 50 HDAA CCn1c(O)nc2cc(C(=O)N[C@@H]3CCN(C(=O)Cc4ccccc4)C3)ccc2c1=O 2325721564 HVSQQGPJBKHKBA-QGZVFWFLSA-N 420.469 1.695 0 50 HDAA Cc1cccc([C@H](C)C(=O)N[C@@H]2CCN(C(=O)c3nc(O)sc3C)C[C@H]2O)c1 2325841152 GJXMPVVIPPVIOZ-APHBMKBZSA-N 403.504 1.961 0 50 HDAA C=CC(=O)N1CCC(C(=O)Nc2cc(Br)ccc2-c2nn[nH]n2)CC1 2325889117 AAKBKVBHTWUWED-UHFFFAOYSA-N 405.256 1.992 0 50 HDAA O=C(Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1nc2ncccn2n1 923930 SNDXICWGNMGUDP-UHFFFAOYSA-N 400.464 1.941 0 50 HDAA COC(=O)c1cn([C@H]2C[C@@H](C(=O)NCc3ccc(OC)cc3)N(CC(C)C)C2)nn1 11910170 LTHMYXPJUNVDAT-LPHOPBHVSA-N 415.494 1.661 0 50 HDAA COCCN(C[C@@H]1CCCN(C2Cc3ccccc3C2)C1)C(=O)CCNC(C)=O 12575075 GZBBBZMBBJLHAP-LJQANCHMSA-N 401.551 1.867 0 50 HDAA CCOC(=O)c1c(NC(=O)CN(C)Cc2cnn(C)c2C)sc(C(N)=O)c1C 17087737 XCUVYXLYIYHWQA-UHFFFAOYSA-N 407.496 1.445 0 50 HDAA Cc1nn2cc(CCNC(=O)C[C@@H]3C(=O)NCCN3Cc3cccs3)nc2s1 64626217 KSHGIHVOMIQQNP-OAHLLOKOSA-N 418.548 1.210 0 50 HDAA CCc1ccc(CN(C)C(=O)[C@@H]2[C@@H]3C=C[C@@]4(CN(Cc5cccnc5)C(=O)[C@H]24)O3)nc1 77470773 AXKRRPJOHHMJAZ-XARGGIHNSA-N 418.497 1.980 0 50 HDAA O=C(O)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 101448117 YKQCFOGWAIAVLT-CLROSIBMSA-N 408.451 1.182 0 50 HDAA Cc1ncsc1C(=O)NC[C@H]1CN(CC2CCN(CC3CC3)CC2)C(=O)CO1 299798878 WFKQLNUKUUPOGG-KRWDZBQOSA-N 406.552 1.531 0 50 HDAA FC(F)(F)[C@@]1(c2nc(-c3ccccn3)no2)CCN(Cc2nnc3n2CCOC3)C1 952892362 GVORWQJKRVVLPG-KRWDZBQOSA-N 421.383 1.959 0 50 HDAA Cc1ncc2c(n1)[C@]1(CCCN(C(=O)c3ccc(N4CC(=O)NC4=O)cc3)C1)CC2 1704298620 AMGUPLFDKKDQDL-JOCHJYFZSA-N 405.458 1.961 0 50 HDAA Cn1cncc1C(=O)N[C@@H]1CN2CCCC[C@@]2(C(=O)NC2Cc3ccccc3C2)C1 1875251198 QZHSPWAPVHIHNE-CVDCTZTESA-N 407.518 1.431 0 50 HDAA Nc1cccc(C(=O)N2CC[C@@H](NC(=O)c3ccn4ccnc4n3)C23CCC3)c1N 1875329940 LTIJHOVNASIJAV-MRXNPFEDSA-N 405.462 1.461 0 50 HDAA CCc1nn(C)c(CC)c1NC(=O)N1CCN([C@H](C)C(=O)NCCCOC)CC1 2325828665 NTSRTZMAXMFTHC-OAHLLOKOSA-N 408.547 1.236 0 50 HDAA CC1(C)N=C(O)N(C[C@@H](O)COc2ccc(N3C(=O)c4ccccc4C3=O)cc2)C1=O 864122 FBZAMOMYUFJOBO-CQSZACIVSA-N 423.425 1.762 0 50 HDAA Cc1c(NC(=O)CN(c2ccccc2)S(C)(=O)=O)c(=O)n(-c2ccccc2)n1C 1192132 CXUWFUMDPUCLDK-UHFFFAOYSA-N 414.487 1.889 0 50 HDAA COc1ccc(CCNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)cc1OC 2994992 JGDXQBOXSDEPFJ-UHFFFAOYSA-N 406.504 1.992 0 50 HDAA COc1ccc(S(=O)(=O)NC[C@@H]2CCCN(C(=O)CCN3CCCO3)C2)cc1 12058727 MCLCXCYBOPAOCO-INIZCTEOSA-N 411.524 1.240 0 50 HDAA CCC[C@@H]1NC(=O)[C@@H]2C[C@H](NCc3cnn(-c4cccc(Cl)c4)c3)CN2C1=O 14540199 UYUKMLDFDGJSFW-SZMVWBNQSA-N 401.898 1.883 0 50 HDAA O=C(NC[C@@H]1CCCO1)[C@@H]1C[C@H](CN2CCOCC2)CN(Cc2ccc(O)cc2)C1 14743935 HUYKNIOMAKLSMQ-SJBKTWHCSA-N 417.550 1.458 0 50 HDAA C[C@H]1CCc2c(sc(NC(=O)CN3CCN(c4ncccn4)CC3)c2C(N)=O)C1 17090049 KPRUPOGQIGTWSQ-ZDUSSCGKSA-N 414.535 1.523 0 50 HDAA C[C@@]1(C2CCN(S(=O)(=O)c3cccc(OC(F)(F)F)c3)CC2)NC(=O)NC1=O 487462323 OKKFMCPVFSYKAK-HNNXBMFYSA-N 421.397 1.584 0 50 HDAA Cc1cc(C(=O)N2CCCN(C(=O)c3ccco3)CC2)cc(S(N)(=O)=O)c1C 1506407304 QRPIHZVWNMWDGF-UHFFFAOYSA-N 405.476 1.532 0 50 HDAA COc1cccc(CN2CC[C@H](O)[C@H](NC(=O)c3ccccc3-c3nc[nH]n3)C2)c1 1857696479 CFPXVQYYKSPFRF-UXHICEINSA-N 407.474 1.846 0 50 HDAA NC(=O)COCC(=O)N1CCCCN2CCCC[C@@H]2CCc2cccc(c2)OCC1 1857705402 GBAQKRTVDRSUBY-HXUWFJFHSA-N 417.550 1.977 0 50 HDAA CCCN=c1ncc(-c2nccn2[C@@H]2C[C@H]3CO[C@@H](CC(=O)N(C)C)CN3C2)c[nH]1 1857734742 PJDNYQSEEFWKRC-SQNIBIBYSA-N 413.526 1.076 0 50 HDAA COc1ccc([C@H]2[C@H](CO)OCCN2C(=O)CCn2ccccc2=O)cc1OC 1875248447 QVQHVYMZINKJFJ-RXVVDRJESA-N 402.447 1.217 0 50 HDAA NC(=O)Cn1ncc(NC[C@@H](CO)Cc2ccccc2C(F)(F)F)c(Cl)c1=O 1875263401 GQYSUSYBXYOTOX-JTQLQIEISA-N 418.803 1.664 0 50 HDAA Cn1ccc(=O)c(OCc2ccccc2)c1C(=O)N1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 2356151902 FYIUQEJHLZWDIR-DOTOQJQBSA-N 402.472 1.223 0 50 HDAA Cn1nccc1CCC(=O)N1CC[C@H]2[C@@H]1CCN2S(=O)(=O)Cc1ccccc1 2356168225 UZIIAQRMEYONLF-OALUTQOASA-N 402.520 1.558 0 50 HDAA COc1ccc(-c2nc3s/c(=C\c4ccc(OCC(N)=O)cc4)c(=O)n3n2)cc1 2508907 ICHVISPUCQPICG-YBEGLDIGSA-N 408.439 1.238 0 50 HDAA COC(=O)c1cc(-c2ccc(Br)cc2)c2c(=O)n(C)c(=O)n(C)c2n1 6730521 RVJZVPQFGBABKV-UHFFFAOYSA-N 404.220 1.848 0 50 HDAA COCCCn1c(CN2CCC[C@H](CN3CCCC3=O)C2)cnc1S(C)(=O)=O 12445206 APIBRWKJXPUTOG-INIZCTEOSA-N 412.556 1.158 0 50 HDAA CN(C)C(=O)c1nn(CC2CCCCC2)c2c1C[C@@H](N1CCN(C=O)CC1)CC2 14731518 JUHCJLBFHBOCAB-SFHVURJKSA-N 401.555 1.797 0 50 HDAA COCCCN1C(=O)C[C@](CC(=O)N2CCC[C@H]2CO)(c2ccccc2Cl)C1=O 14889560 SKCIYXVUQJEJDC-YCRPNKLZSA-N 422.909 1.747 0 50 HDAA CC(=O)N1CCN(C(=O)c2ccc3c(c2)C(=O)N(CCc2ccccc2)C3=O)CC1 15421137 JNLZLTMFTIDFCY-UHFFFAOYSA-N 405.454 1.830 0 50 HDAA O=C1NCCN(Cc2cccs2)[C@@H]1CC(=O)N1CCN(Cc2cccnc2)CC1 19221947 ZSZGYVHZALFAGN-LJQANCHMSA-N 413.547 1.178 0 50 HDAA CC(C)=CCn1c(-c2ccc(F)cc2)cn2cc(C(=O)NCCC(N)=O)nc2c1=O 72422270 ADOUEZIZRBFDOZ-UHFFFAOYSA-N 411.437 1.874 0 50 HDAA Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@@H]3C(=O)O)CC2)c1 100797787 UTLUUMFZLMVQSL-DKKFBQAASA-N 420.531 1.883 0 50 HDAA CCOC(=O)N1CCC(NC(=O)c2cc3c(N4CCCC4)nc(C)cn3n2)CC1 169749835 VJMMSWUBFJQVIO-UHFFFAOYSA-N 400.483 1.989 0 50 HDAA Cn1c(=O)[nH]c(=O)c2c1nc1n(CCO)c(-c3ccc(Br)cc3)cn21 170624334 HCIHTTXPINJGLT-UHFFFAOYSA-N 404.224 1.098 0 50 HDAA Cc1ncccc1C(=O)NC[C@@H]1CN(CC2CCN(CC3CC3)CC2)C(=O)CO1 299769148 JYLGSWZAVKIEKF-LJQANCHMSA-N 400.523 1.469 0 50 HDAA Cn1cc(S(N)(=O)=O)cc1C(=O)N(Cc1ccccc1)C[C@@H](O)c1ccco1 752824016 HBCYMYLUCDCZNW-QGZVFWFLSA-N 403.460 1.642 0 50 HDAA CC(C)NC(=O)c1ccc(NC(=O)C2CCN([C@H]3CCS(=O)(=O)C3)CC2)cc1 952972270 BKFZZTOKQNHKNA-SFHVURJKSA-N 407.536 1.662 0 50 HDAA Cc1cnn(C)c1S(=O)(=O)N1CC[C@@]23OC[C@@H](c4ccccc4)N2C(=O)C[C@@H]13 1857708931 VCXLXGJAQZQAEF-FCEWJHQRSA-N 402.476 1.192 0 50 HDAA C[C@H]1CN(c2ccc(C(=O)Nc3ccc(NS(N)(=O)=O)cc3)cn2)C[C@@H](C)O1 1875359904 SPFKOUTYZFLDHD-BETUJISGSA-N 405.480 1.563 0 50 HDAA CC(C)N1CC[C@H](N2CCC3(CCc4c(O)nc(N5CCOCC5)nc43)CC2)C1 2356151129 TVQCVAALNRDUJW-KRWDZBQOSA-N 401.555 1.781 0 50 HDAA COC(=O)C1=C(N)Oc2c(oc(CO)cc2=O)[C@H]1c1ccc(Br)cc1 1420982 SIZCJLLVGWKILP-LBPRGKRZSA-N 408.204 1.762 0 50 HDAA COc1cc(CN(C)CC2CCOCC2)ccc1OC[C@H](O)CN1CCOCC1 12575947 VKTGCVDZKIEGFI-HXUWFJFHSA-N 408.539 1.626 0 50 HDAA CO[C@@H]1CN(C(=O)CCc2ccc3c(c2)OCO3)CC(=O)N(Cc2cccnc2)C1 14530921 YNHDRNZXOZYQJL-SFHVURJKSA-N 411.458 1.629 0 50 HDAA COc1cccc(CNC(=O)CC[C@H]2CCCN(C(=O)CN3CCCC3=O)C2)c1 14952661 QJFNYKYNDODKFF-QGZVFWFLSA-N 401.507 1.953 0 50 HDAA COc1cccc(CN2CCNC(=O)[C@H]2CC(=O)NC(C2CC2)C2CC2)c1OC 14974786 ONCDARGLSBKPEH-QGZVFWFLSA-N 401.507 1.699 0 50 HDAA Cn1cc(CCNC(=O)c2coc(CN3CCN(Cc4ccccc4)CC3)n2)cn1 19299768 DFWKONSTJYQXFG-UHFFFAOYSA-N 408.506 1.698 0 50 HDAA COc1ccc2cnn(CC(=O)N3CCN(c4ccccn4)CC3)c(=O)c2c1OC 61719401 WRYSFDQKRMPWJN-UHFFFAOYSA-N 409.446 1.158 0 50 HDAA Cc1ccc(-c2noc(CNC(=O)C3CCN(S(=O)(=O)N(C)C)CC3)n2)cc1 67621877 BIORVARAVDAEAM-UHFFFAOYSA-N 407.496 1.180 0 50 HDAA Cc1ccc2ncc(CN3CCC[C@@H](n4ncc(N5CC[C@H](O)C5)cc4=O)C3)n2c1 328604649 KOQSFVUZRCDOIW-XLIONFOSSA-N 408.506 1.608 0 50 HDAA Cn1c(CN2CCC([C@]3(C)NC(=O)NC3=O)CC2)nnc1-c1ccc(Cl)cc1 473050176 OJCTXFJKYURQLA-IBGZPJMESA-N 402.886 1.946 0 50 HDAA CCCCN1CCn2nc(CNC(=O)NCc3nc(C(F)(F)F)n[nH]3)cc2C1 534593072 XUNJTVCWDCOQEH-UHFFFAOYSA-N 400.409 1.635 0 50 HDAA O=C(Cc1ccc(-n2cnnn2)cc1)NS(=O)(=O)c1ccc(Br)cc1 915817996 JCYISQHYLVOXOE-UHFFFAOYSA-N 422.264 1.472 0 50 HDAA COc1cc(-c2onc(N(C)C)c2C(=O)N2CC[C@@]3(O)CCNC[C@H]3C2)ccc1F 1704308576 FFESSQUIRXXSBV-QKKBWIMNSA-N 418.469 1.742 0 50 HDAA O=C(O)CCc1nc2c(O)nc(SCC(=O)Nc3cccc(F)c3)nc2nc1O 1776003664 CQDFEBHXGMHJQI-UHFFFAOYSA-N 419.394 1.718 0 50 HDAA CCOCc1nnc(N2C[C@H](C(=O)NCc3ccc4nc(C)[nH]c4c3)CC2=O)s1 1857718861 WUHUZPQZFBDFSV-CYBMUJFWSA-N 414.491 1.929 0 50 HDAA O=C(Cc1ccc(Br)cc1)NS(=O)(=O)c1ccc(-n2cnnn2)cc1 1875350588 SXQFFBIMMXPHHK-UHFFFAOYSA-N 422.264 1.472 0 50 HDAA COC(=O)[C@@H]1CCCCN1Cc1c(C(=O)N2CCCN(C)CC2)nc2sccn12 11819285 QSDUFYPUEBECEN-HNNXBMFYSA-N 419.551 1.701 0 50 HDAA COc1ccc(CN(C)C2CCOCC2)cc1OC[C@H](O)CN1CCCN(C)CC1 19223131 YMCLIFIAEGWDKH-OAQYLSRUSA-N 421.582 1.683 0 50 HDAA COc1ccccc1/C=C/CN1CCNC(=O)[C@@H]1CC(=O)N(C)CC1CCOCC1 55197669 XIDBDVJRONCKGE-CYXJOQHWSA-N 415.534 1.784 0 50 HDAA CS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)C1 65364654 IGIMZYVALQGWRS-CQSZACIVSA-N 415.537 1.081 0 50 HDAA CCC(CO)(CO)NC(=O)[C@@H]1CCCN(C2CCN(Cc3cccnc3)CC2)C1 71707988 IYLGZPQEUCOFGC-LJQANCHMSA-N 404.555 1.008 0 50 HDAA CCOCC(=O)N1CCCn2nc(CN3CCN(C4CCCC4)C(=O)C3)cc2C1 72432570 STDBROUBHGFTRD-UHFFFAOYSA-N 403.527 1.239 0 50 HDAA Cn1ccc(C(=O)N2CCC(N3CCC[C@H](C(=O)NCc4cccnc4)C3)CC2)n1 82119923 OGJBGVHONQPWDW-SFHVURJKSA-N 410.522 1.448 0 50 HDAA Cc1nc(-c2c3n(c(=O)n(CC(=O)Nc4ccccc4F)c2=O)CCCCC3)no1 169780721 GKTNIPLLYAYWLP-UHFFFAOYSA-N 413.409 1.873 0 50 HDAA CCc1cc(N2CCC[C@H]2C(=O)N(C)C)nc(CN2CCC[C@H]2C(=O)N(C)C)n1 252676539 XJPOWWHGWITCSQ-IRXDYDNUSA-N 402.543 1.149 0 50 HDAA CC(C)C(=O)N1CCn2nc(CNC3CCN(C(=O)[C@H]4CCCO4)CC3)cc2C1 426510216 LZKRCBTVSQZFLP-LJQANCHMSA-N 403.527 1.141 0 50 HDAA COc1cc(S(=O)(=O)N2CC[C@@H](O)[C@@](CC3CC3)(C(=O)O)C2)c(OC)cc1C 1704297531 AVBGIHFERATQPS-MJGOQNOKSA-N 413.492 1.639 0 50 HDAA Cc1ccc(CN2CCC3(CC2)C[C@](C)(NC(=O)c2cn(C)cn2)[C@@H](O)CO3)o1 1772704782 FGHDHKCUYLVJFK-ICSRJNTNSA-N 402.495 1.626 0 50 HDAA Cn1nncc1S(=O)(=O)N1CCC(c2nccc(-c3ccc(F)cc3)n2)CC1 1775960543 QSHXQGCEFOECDT-UHFFFAOYSA-N 402.455 1.980 0 50 HDAA COC(=O)[C@]1(C)CCCN(c2ncnc3c2ncn3C[C@H](CO)[C@H]2CCOC2)C1 1857532707 KRVUVXDCDSTTNN-BXTJHSDWSA-N 403.483 1.251 0 50 HDAA COc1ccc(C(=O)N[C@@H]2CN(CCc3cccc(C)n3)CC[C@H]2O)c(OC)n1 1857679623 ZKNYUQZSLLMDQD-QZTJIDSGSA-N 400.479 1.210 0 50 HDAA NS(=O)(=O)CCCC(=O)N[C@@H]1C[C@H]2CO[C@@H](c3ccc(Cl)cc3)CN2C1 1857727825 BEHKRKAHZLIRMV-OWCLPIDISA-N 401.916 1.039 0 50 HDAA COC(=O)c1cc2c(=N[C@H](C)CCNC(=O)[C@@H]3CC(C)(C)CN3C)nc[nH]c2[nH]1 1875327906 PHAKJIAMWUBDRG-DOMZBBRYSA-N 402.499 1.203 0 50 HDAA O=C1CC[C@@H](N2Cc3cc(C(=O)N[C@H](C(=O)O)c4ccccc4)ccc3C2=O)C(=O)N1 2325895641 FYIGNPCIFWVHLX-AEFFLSMTSA-N 421.409 1.003 0 50 HDAA O=S(=O)(c1ccc(Cl)cc1)N1CCN(c2ccc(N3CCOCC3)nn2)CC1 678209 RBLIYAYJOXQORG-UHFFFAOYSA-N 423.926 1.478 0 50 HDAA CC(C)C(=O)NCCc1nnc2n1CCN(C(=O)COc1ccc(Cl)cc1)CC2 11881890 SXXBLWHLNDDIFR-UHFFFAOYSA-N 419.913 1.710 0 50 HDAA COc1cc(CN2CCC(CCO)CC2)ccc1OC[C@H](O)CN1CCOCC1 12748771 JZDDHFVOLUEDBT-HXUWFJFHSA-N 408.539 1.362 0 50 HDAA Cn1nc(C(=O)NCCN2CCOCC2)c2c1CC[C@H](NCc1ccc(F)cc1)C2 14747805 OEWYYMWYIODYHO-SFHVURJKSA-N 415.513 1.268 0 50 HDAA CCOC(=O)N1CCN(C(=O)CN2C(=O)c3ccc(Br)cc3C2=O)CC1 16447479 FLAMTXFDQUIKPS-UHFFFAOYSA-N 424.251 1.346 0 50 HDAA CC(C)(C)OC[C@@H]1C(=O)NCCN1C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F 68267685 LCDDAGSJHKEABN-MLGOLLRUSA-N 401.429 1.506 0 50 HDAA investigational CC(C)CN(C)CCCN1CC2(CCN(C(=O)c3ccc(=O)[nH]c3)CC2)OC1=O 72424896 WQKPIPDRZSFPAD-UHFFFAOYSA-N 404.511 1.780 0 50 HDAA CN(Cc1cnccn1)Cc1ccc(C(=O)NCc2ccc3c(c2)OCO3)c(=O)[nH]1 77353908 OQSBTLPOXHETPH-UHFFFAOYSA-N 407.430 1.456 0 50 HDAA CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCC(=O)Nc1ccc(OCC(N)=O)cc1 170594749 RXRCIDUKUHCJQA-OAHLLOKOSA-N 420.466 1.005 0 50 HDAA COc1ccc(CCN2C(=O)N[C@H](CC(=O)NCc3ccc(OC)cc3)C2=O)cc1 206229935 UOPHHYSGXNODKG-LJQANCHMSA-N 411.458 1.873 0 50 HDAA Cc1nc(C(=O)N2CCC3(CC2)CN([C@@H](C)CS(C)(=O)=O)CCO3)cs1 821758597 MTCQYAVQYMGVSO-ZDUSSCGKSA-N 401.554 1.192 0 50 HDAA O=C(CN1CCOc2ccccc2C1)NCCn1nc(-c2ccccc2)ccc1=O 827836830 IUYFYLGVRRJGRQ-UHFFFAOYSA-N 404.470 1.921 0 50 HDAA CC(=O)N1CCCN(C(=O)CN2CCCC2)CCNC(=O)C[C@H]1c1ccccc1 952868276 IGJRQWXQVNERTH-FQEVSTJZSA-N 400.523 1.411 0 50 HDAA O=C(c1cnc2ccccn2c1=O)N1CCN2C(=O)OC[C@]2(Cc2ccccc2)C1 1857689654 UQNODODGIAQVCN-QFIPXVFZSA-N 404.426 1.584 0 50 HDAA O=C(N[C@@H]1CCCC12CCN(Cc1cccnc1)CC2)c1cc(-n2cnnn2)n[nH]1 1857697097 VGFMRYWBNPZMKZ-QGZVFWFLSA-N 407.482 1.345 0 50 HDAA O=C1C[C@@H]2CC[C@H](CNC(=O)c3cc(F)ccc3OCCN1)N2C(=O)c1ccc[nH]1 1857709476 ZOAZHAVQUZFWPX-LSDHHAIUSA-N 414.437 1.456 0 50 HDAA O=C([C@H]1CCCNCC1)N1CCC2(CCc3c(O)nc(N4CCOCC4)nc32)CC1 1857716832 GQBGJJFFLRPUEJ-INIZCTEOSA-N 415.538 1.215 0 50 HDAA CNC(=O)c1cc(NC(=O)C(=O)N2CC(C)(C)c3ccccc32)cc(C(=O)NC)c1 2325872986 UOQBJSQBNRYBEG-UHFFFAOYSA-N 408.458 1.669 0 50 HDAA Cn1cc(CNC(=O)[C@H]2CC[C@@H](O)[C@H](NC(=O)CCc3ccccc3F)C2)cn1 2356164784 GSJPAUFUJJHVPA-QXAKKESOSA-N 402.470 1.454 0 50 HDAA COc1cc([C@H]2NC(=O)NC(C)=C2C(=O)NCc2ccccc2)ccc1OCC(N)=O 679320 UDPASUYEBVHJBI-HXUWFJFHSA-N 424.457 1.504 0 50 HDAA Cc1ccc(OCC(=O)NCC(=O)OCc2cc(=O)n3nc(C)sc3n2)cc1 8605376 LZFLNFSDHMGPQY-UHFFFAOYSA-N 402.432 1.006 0 50 HDAA CC(=O)N1CCC(Oc2ccc(Cl)cc2C(=O)N2CCN(CCO)CC2)CC1 19762681 MQLOQSAMUZQJJZ-UHFFFAOYSA-N 409.914 1.480 0 50 HDAA CN(Cc1ccc2nonc2c1)C(=O)[C@H]1CCC(=O)N(CCCN2CCOCC2)C1 20776612 MEFJNAUCIYNKKA-KRWDZBQOSA-N 415.494 1.142 0 50 HDAA O=S(=O)(c1cc(F)ccc1F)N1CCN(c2cc(-n3cccn3)ncn2)CC1 67601750 PKBZBYMIQCQTBD-UHFFFAOYSA-N 406.418 1.451 0 50 HDAA COc1ccc(C(=O)N2CCN(c3cc(-n4ccnc4)nc(C)n3)CC2)cc1OC 67621970 SWAGQOQCELCVTP-UHFFFAOYSA-N 408.462 1.950 0 50 HDAA O=C(NCc1ccccn1)[C@@H]1CCCN(C2CCN(C(=O)CN3CCCC3)CC2)C1 82106829 QNBJOTGOTLUNHV-LJQANCHMSA-N 413.566 1.497 0 50 HDAA CC(C)(NC(=O)[C@H]1CCCN(C2CCN(C3Cc4ccccc4C3)CC2)C1)C(N)=O 91462133 ZZCPIQZYDMVLJW-IBGZPJMESA-N 412.578 1.710 0 50 HDAA COc1ccc(CN2C(=O)N[C@@H](CC(=O)NCCn3cccc3)C2=O)cc1OC 409414521 UCRUVVCCBLRZOV-HNNXBMFYSA-N 400.435 1.132 0 50 HDAA biogenic CN1CCN(CCNC(=O)c2cccc(NC(=O)[C@@H]3Cc4ccccc4O3)c2)CC1 410178967 NMWSQSCNRRWQSR-NRFANRHFSA-N 408.502 1.606 0 50 HDAA COC[C@@H]1CCCN(S(=O)(=O)N2CCC(CNC(=O)C3CCCC3)CC2)C1 952976631 NWQPUISJUFIRLG-QGZVFWFLSA-N 401.573 1.608 0 50 HDAA O=C(C1CCNCC1)N1CCC(N2C[C@@H](COc3ccc(F)cc3)OCC2=O)CC1 1857666813 SNXUXYGUEWLUFW-FQEVSTJZSA-N 419.497 1.423 0 50 HDAA CCN(C)C(=O)[C@H]1C[C@H]2CN(C(=O)Cc3cccnc3)CC(=O)N2[C@H]1CC(C)C 1857700535 VXCAOESDAUYNKD-FHWLQOOXSA-N 400.523 1.576 0 50 HDAA Cc1nn(CCO)cc1CN1CC[C@@H](O)[C@](CCCc2ccccc2)(C(=O)O)C1 1875240530 AJSPSHPDUPSCAP-IFMALSPDSA-N 401.507 1.844 0 50 HDAA CNC(=O)c1cc(=NC(=O)[C@@H]2CCCN2C(=O)c2ccc(Br)cc2)[nH][nH]1 1875326916 KZYZRZUFRQVQCY-ZDUSSCGKSA-N 420.267 1.197 0 50 HDAA Cc1nc[nH]c1CC(=O)N1CCC2(CCc3c(O)nc(N4CCOCC4)nc32)CC1 1940197087 RAEFLNFUGZGLHX-UHFFFAOYSA-N 412.494 1.099 0 50 HDAA COC(=O)c1c(F)ccc(S(=O)(=O)NC(=O)c2cc(C(F)F)nn2C)c1F 2325875877 DPZZPVBBGPNTIH-UHFFFAOYSA-N 409.317 1.541 0 50 HDAA COC(=O)c1cc2n(n1)CCN(C(=O)c1cc3c(s1)CCOC31CCNCC1)C2 2356157542 KUGSJNRYWUVVSZ-UHFFFAOYSA-N 416.503 1.539 0 50 HDAA CCCN1C(=O)C[C@@H](C(=O)OC)C12CCN(Cc1ccc(OCCO)cc1)CC2 11786826 RMQZMJVIFCGBIM-IBGZPJMESA-N 404.507 1.824 0 50 HDAA CCOC(=O)CCNC(=O)C[C@@H]1C(=O)NCCN1Cc1ccccc1C(F)(F)F 55052606 RDMZOFHUJCTOKL-OAHLLOKOSA-N 415.412 1.465 0 50 HDAA CN(C)C(=O)N1CCC(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)CC1 59759742 OJVVYDCHLYOLNK-UHFFFAOYSA-N 402.495 1.453 0 50 HDAA Cc1ccccc1CN1CCN(C(=O)CC[C@]2(CCC(=O)O)CCC(=O)N2)CC1 222308540 FAYCHBVHAPWMQI-QFIPXVFZSA-N 401.507 1.933 0 50 HDAA COc1cccc(Cc2cc(C(=O)N3CCC[C@H](C(=O)N4CCOCC4)C3)on2)c1 299758760 PBIPSVSPAPKNJW-KRWDZBQOSA-N 413.474 1.985 0 50 HDAA Cc1nnsc1C(=O)N=c1cc(-c2ccccc2)[nH]n1[C@H]1CCS(=O)(=O)C1 334158245 AUTSXBDTEDRCRY-ZDUSSCGKSA-N 403.489 1.744 0 50 HDAA Cc1cccc(CN2CCC[C@]3(CCN(Cc4cc(=O)n5[nH]cnc5n4)C3)C2=O)c1 426465102 DZQJAYOLSFQEEQ-JOCHJYFZSA-N 406.490 1.741 0 50 HDAA O=C(Cn1nc(-c2ccccc2)c2ccccc2c1=O)NC1CCS(=O)(=O)CC1 426584017 LZCMBURNRBDUDB-UHFFFAOYSA-N 411.483 1.757 0 50 HDAA C[C@@H]1CN(Cc2cc(=O)n3cc(Cl)ccc3n2)CCN1c1nccn2cnnc12 441039078 VIWUPDMOPPERHC-CYBMUJFWSA-N 410.869 1.496 0 50 HDAA Cn1ccc([C@H](NC(=O)N2CCC(S(N)(=O)=O)CC2)c2ccc(Cl)cc2)n1 460885805 UGOHFZALJUSKIM-MRXNPFEDSA-N 411.915 1.625 0 50 HDAA CCc1nc2ccccc2n1[C@@H]1CCCN(C(=O)c2cn(CC(=O)N(C)C)nn2)C1 773187839 MONHEKKUECSMKB-OAHLLOKOSA-N 409.494 1.756 0 50 HDAA CCc1cccc(NC(=O)CCC(=O)N2CCC3(CC2)C(=O)N(C)C(=O)N3C)c1 952977553 XWOCAPQCGJAGPH-UHFFFAOYSA-N 400.479 1.853 0 50 HDAA O=S(=O)(NCc1nnc2n1CCC2)c1ccc(-c2cc(C(F)(F)F)n[nH]2)o1 1506402984 QQDBSZNDLLRJNJ-UHFFFAOYSA-N 402.358 1.705 0 50 HDAA c1ccc(-c2nc([C@H]3CC[C@H]4OCCN[C@@H]4C3)n(-c3ccc4nncn4n3)n2)nc1 1857725014 IVNAFCXZQNZVIY-NUEKZKHPSA-N 403.450 1.392 0 50 HDAA CN(C)C(=O)[C@@H](NC(=O)Cc1csc(N2CCCNC2=O)n1)c1ccccc1 2325703686 BWVMCLSINKHBRC-INIZCTEOSA-N 401.492 1.551 0 50 HDAA NC(=O)c1ccc(N2CCN(C(=O)c3cc(=O)c4cc(Cl)ccc4o3)CC2)nc1 2325704740 BXYPFHLZVAIAER-UHFFFAOYSA-N 412.833 1.903 0 50 HDAA O=C(NCc1ccnn1[C@H]1CC1(F)F)C(=O)NCc1ccnn1[C@H]1CC1(F)F 2325816852 GBSMVZDOCCQMJP-RYUDHWBXSA-N 400.336 1.172 0 50 HDAA COCC(=O)N=S1(=O)CCC2(CC1)C[C@H](NC(=O)c1ccc(F)cn1)CCO2 2332238306 KMZOJZCVUZJFRK-ROBHTVMBSA-N 413.471 1.303 0 50 HDAA CC(C)Cc1nc2ccc(C(=O)N3C[C@H]4COC[C@@]4(CO)C3)cc2n1CCCN 2356149049 HGRJAMGSGHKQQB-JTSKRJEESA-N 400.523 1.665 0 50 HDAA CCN(CC1CCN(C2CCN(C)CC2)CC1)C(=O)[C@H](CCSC)NC(C)=O 11996657 HCVHCUVGYPEDDG-FQEVSTJZSA-N 412.644 1.899 0 50 HDAA COCC(=O)N1CCC(Oc2ccccc2C(=O)NCCCn2ccnc2)CC1 12429794 QMOOKGCCXKATKA-UHFFFAOYSA-N 400.479 1.719 0 50 HDAA O=C1N[C@@H](Cc2ccccc2)C(=O)N2CCN(Cc3ccc4ncccc4c3)C[C@H]12 14754147 QJRWMLIJTNANAW-FCHUYYIVSA-N 400.482 1.989 0 50 HDAA CN(CCc1cn[nH]c1)Cc1cnc(S(=O)(=O)CC2CC2)n1C[C@H]1CCCO1 20351080 LKSXOMVCGWWTJW-GOSISDBHSA-N 407.540 1.643 0 50 HDAA O=C(NCCc1nnc2n1CCN(Cc1cc(F)cc(F)c1)CC2)C1CCOCC1 20996652 XAXSPLQLFCRTSN-UHFFFAOYSA-N 419.476 1.700 0 50 HDAA CN(C)S(=O)(=O)N1CCC(Oc2ccc(C(=O)N3CCSCC3)cc2)CC1 23312081 OIXSMWJZXAFMFT-UHFFFAOYSA-N 413.565 1.525 0 50 HDAA O=C(CC[C@H]1NC(=O)c2ccccc2N=C1O)NCc1nc(-c2ccncc2)no1 252532921 FLNZMPRDXAJQKV-OAHLLOKOSA-N 406.402 1.928 0 50 HDAA O=C(C[C@H]1NC(=O)N(Cc2ccccc2)C1=O)N1C[C@@H]2C[C@H](C1)CN1C(=O)CCC[C@H]21 888090773 TYZUMFAJMLBQHP-FCGDIQPGSA-N 424.501 1.357 0 50 HDAA CN(CC1(CO)CC1)C(=O)[C@H]1CC(=O)N(c2nnc(Cc3ccccc3)s2)C1 1857734391 QZSWVMNHBPXBAD-HNNXBMFYSA-N 400.504 1.713 0 50 HDAA C[C@@H]1C(=O)N=C(CCNC(=O)c2ccc(=O)n(Cc3ccccc3Cl)c2)NC1=O 1875254813 ZPCRDZCXPXJWET-UHFFFAOYSA-N 414.849 1.361 0 50 HDAA COc1ccc([C@@H]2[C@@H](C(=O)N[C@H]3C[C@H](C(=O)OC)C3)OCC(=O)N2C2CC2)cc1 2100540760 OTWOVZVNPCZENR-OHHBCXFOSA-N 402.447 1.194 0 50 HDAA CC[C@@H](CN(CC)C(=O)c1ccc(CO)nc1)NC(=O)c1cc2cccn2c(O)n1 2325872908 RLGVDKPYJPDKHV-HNNXBMFYSA-N 411.462 1.598 0 50 HDAA CCc1nc(O)ccc1C(=O)N[C@H]1C[C@H]2COc3ccccc3S(=O)(=O)N2C1 2356168921 HSSIKBWKEDWBSH-STQMWFEESA-N 403.460 1.304 0 50 HDAA CCOC(=O)[C@H](CC1=CN[C@H]2C=CC=C[C@@H]12)NC(=O)CN1C(=O)c2ccccc2C1=O 2905456 WVOFZQZADYCTOA-SNRMKQJTSA-N 421.453 1.319 0 50 HDAA O=C1C[C@@H](N2CCC(O)CC2)C(=O)N1c1ccc(I)cc1 4553064 FNIGLYYEKBAPPQ-CYBMUJFWSA-N 400.216 1.380 0 50 HDAA COc1cccc(N2C(=O)CN(C(=O)CN3C(=O)c4ccccc4C3=O)C[C@H]2C)c1 12218276 SKXWKHWFCKNARR-CQSZACIVSA-N 407.426 1.555 0 50 HDAA CC1(C)CC(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC(C)(C)N1 12384377 RESRLIUHSZMHDL-UHFFFAOYSA-N 409.552 1.747 0 50 HDAA COc1ccc(S(=O)(=O)NC[C@H]2CCCN(C(=O)c3snnc3C)C2)cc1 12387626 HCBWHXXFFCCRJF-CYBMUJFWSA-N 410.521 1.686 0 50 HDAA C[C@@H]1CCc2c(sc(NC(=O)CN3CCN(c4ncccn4)CC3)c2C(N)=O)C1 17090048 KPRUPOGQIGTWSQ-CYBMUJFWSA-N 414.535 1.523 0 50 HDAA O=C(NCCc1nnc2n1CCN(Cc1ccc3c(c1)CCO3)CC2)[C@@H]1CCCO1 20912950 XWWMCWPUAMWGKG-IBGZPJMESA-N 411.506 1.109 0 50 HDAA CC1CCN(S(=O)(=O)c2cccc(C(=O)NCCCN3CCOCC3)c2)CC1 65363661 BOOFHVXVVZNIPJ-UHFFFAOYSA-N 409.552 1.559 0 50 HDAA CCN1CCN(C(=O)[C@H]2[C@@H]3C=C[C@@]4(CN(Cc5ccc(C)c(C)c5)C(=O)[C@@H]24)O3)CC1=O 77455351 WMFUTXKXYRAKIS-WWOUZDQESA-N 423.513 1.276 0 50 HDAA CNc1ccnc(N2CCC(N3CCC[C@H](C(=O)NCc4cccnc4)C3)CC2)n1 82126824 PAWBQPZVXRVLOR-SFHVURJKSA-N 409.538 1.911 0 50 HDAA CCc1nnsc1C(=O)N1CCc2nc(NC)nc(C(=O)N3CCCC3)c2C1 95366377 FAMMABAKXGQVOP-UHFFFAOYSA-N 401.496 1.367 0 50 HDAA O=C(OCCN1C(=O)c2ccccc2C1=O)[C@H]1CC=CC[C@@H]1C(=O)N1CCOCC1 253417992 HYHXMSYHBNRYSJ-ROUUACIJSA-N 412.442 1.267 0 50 HDAA Cc1ccc(S(=O)(=O)NCCCNC(=O)C[C@@H]2NC(=O)c3ccccc32)cc1 827810813 AWMSPUUXMUBWBT-SFHVURJKSA-N 401.488 1.654 0 50 HDAA O=C(c1ccccc1-n1cncn1)N1CCCN(S(=O)(=O)N2CCCCC2)CC1 952976165 QHYWUAMCYNDWNQ-UHFFFAOYSA-N 418.523 1.146 0 50 HDAA CN1CCN(CCOc2ccccc2CN2C[C@@H]3CCOC[C@]3(C(=O)O)C2)CC1 1857669852 PPZWOIAPHBIMRU-SIKLNZKXSA-N 403.523 1.236 0 50 HDAA O=C(CCn1cnnc1)N1CCC[C@@]2(CCc3c(O)nc(-c4cccnc4)nc32)C1 1857671872 VBLFGXYBHWFONA-OAQYLSRUSA-N 405.462 1.732 0 50 HDAA Cc1nn(CCC(=O)NCc2cnc3c(c2)CN(S(C)(=O)=O)CC3)c(C)c1C 1875249898 IUJIBIVCDWFZAI-UHFFFAOYSA-N 405.524 1.228 0 50 HDAA O=C([C@H](O)c1ccccc1)N1CCC2(CCc3c(O)nc(N4CCOCC4)nc32)CC1 1940198346 IBXQEKWSJUTXFZ-GOSISDBHSA-N 424.501 1.559 0 50 HDAA CCO[C@H]1C[C@H](OC(=O)NCc2ccc3c(c2)C(=O)N([C@H]2CCC(=O)NC2=O)C3)C1 2325886809 KGLFBXFULMXWFZ-ZOBUZTSGSA-N 415.446 1.241 0 50 HDAA CNc1ccc(CNC(=O)c2ccc3c(c2)C(=O)N([C@@H]2CCC(=O)NC2=O)C3)cc1 2325895510 CALDWIVESBVJQS-GOSISDBHSA-N 406.442 1.419 0 50 HDAA COc1ccc(OCCNC(=O)c2cccc(N3C(=O)[C@@H](C)CS3(=O)=O)c2)cc1 12003136 TYZCLUDKUNUUKC-AWEZNQCLSA-N 418.471 1.817 0 50 HDAA O=C(C[C@H]1C(=O)NCCN1Cc1cccc(C(F)(F)F)c1)NCCCn1cccn1 14957245 GSIAOBFHMSVUBP-KRWDZBQOSA-N 423.439 1.799 0 50 HDAA COc1ccc(CN2CCc3nnc(CCNC(=O)C(C)C)n3CC2)c(OC)c1C 20598790 SNOFHOSOJLYRDT-UHFFFAOYSA-N 415.538 1.977 0 50 HDAA Cc1nn(C)c(C)c1CN(C(=O)C[C@@H]1C(=O)NCCN1Cc1cccnc1)C(C)C 55182499 FFAGFIKCIHQCQY-HXUWFJFHSA-N 412.538 1.560 0 50 HDAA CNc1nn2c(N3CCN(C)CC3)cc(C)nc2c1S(=O)(=O)c1ccccc1 73196699 JOLFFOZBRXYKJV-UHFFFAOYSA-N 400.508 1.664 0 50 HDAA CN(C)CCCNC(=O)[C@H]1CC[C@H](CNC(=O)CNC(=O)c2ccccc2)CC1 245256138 OBEJDEQMMGFXQS-UAPYVXQJSA-N 402.539 1.407 0 50 HDAA CCCOc1cn(-c2ccccc2)nc1C(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 486755076 WPCSTGZLOBBCIC-HNNXBMFYSA-N 406.508 1.815 0 50 HDAA COc1ccc(F)c(F)c1CN1C[C@H]2CN(C(=O)c3ccnn3C)C[C@]2(CO)C1 1772809696 CPVXGZDPEKVMJT-RBZFPXEDSA-N 406.433 1.273 0 50 HDAA COc1ccc2c(c1)C=C(CN1CC[C@H]3[C@@H](C1)CN3C(=O)CCC(=O)N(C)C)CO2 1775982871 UFOLGSZEKRJIHH-ICSRJNTNSA-N 413.518 1.872 0 50 HDAA O=C1Cn2cnc3c2[C@H](c2cccc(c2)OCCCN1)N(C(=O)c1ccncc1)CC3 1775984178 JADZARCTYPMHLN-NRFANRHFSA-N 417.469 1.965 0 50 HDAA COc1ccc([C@@H](CC(=O)NCCN(C)C)c2c(O)n3ccccc3nc2=O)cc1 1776111828 SFGKOQOJUBXVEI-QGZVFWFLSA-N 410.474 1.609 0 50 HDAA CCc1nnc(N2C[C@H](C(=O)NC3CCN(Cc4ccncc4)CC3)CC2=O)s1 1857721093 YRQUQAJHBGGLSJ-OAHLLOKOSA-N 414.535 1.629 0 50 HDAA CC1CCC(N2C[C@H](C(=O)N[C@@H]3CCN(c4cc(O)nc(O)n4)C3)CC2=O)CC1 2325878705 YZSPVFVFKBHAFE-PIOWNMBXSA-N 403.483 1.010 0 50 HDAA O=C(NCc1ccc(Cl)cc1)c1cnc2sc(N3CCOCC3)nn2c1=O 8603062 UGZOEZJDVQDVIQ-UHFFFAOYSA-N 405.867 1.571 0 50 HDAA Cc1nn(C)cc1CN1C(=O)c2cccc(N3CCN(C(=O)C(C)C)CC3)c2C1=O 12451822 RBRDXOMSIRUSPD-UHFFFAOYSA-N 409.490 1.829 0 50 HDAA OC[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)C(SCc1ccccc1)SCc1ccccc1 16891566 XYJQPBTZELOVDP-INDMIFKZSA-N 410.557 1.615 0 50 HDAA C[C@@H](NC(=O)CCCn1nnnc1CN1CCOCC1)c1cnn(-c2ccccc2)c1 20204735 NEEVOWJUYGKGOS-QGZVFWFLSA-N 424.509 1.349 0 50 HDAA O=S(=O)(c1cccc(Cl)c1)N1CCN(c2ccnc(N3CCOCC3)n2)CC1 72117673 WHBMEDIKGPMHPD-UHFFFAOYSA-N 423.926 1.478 0 50 HDAA COc1ccc(CN2C=C(C(=O)OCc3noc(C)n3)C(C)=NS2(=O)=O)cc1 169760382 FGCUXMBMHBVDFH-UHFFFAOYSA-N 406.420 1.535 0 50 HDAA COc1ccc(C(=O)COC(=O)[C@H](C)N2C(=O)[C@H]3[C@H]4C=C[C@H]([C@H]3C2=O)[C@@H]2C[C@@H]42)cc1 245311709 QOIYRHHYTUAKSA-JPMXYSFMSA-N 409.438 1.863 0 50 HDAA C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cccc(C(=O)N[C@H]2CN(C3CC3)C[C@H]2C)n1 467720431 OBRFZKMFEPYPSE-YQMDMEMYSA-N 411.550 1.507 0 50 HDAA CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)CC12CCCCC2 497937081 HFZVPEIYPZMWBB-UHFFFAOYSA-N 420.535 1.433 0 50 HDAA CN(C)C(=O)CN1CCCN(c2cc(C(F)(F)F)nc(N3CCCC3)n2)CC1 1704316318 XUOZSQUQGYRIFC-UHFFFAOYSA-N 400.449 1.696 0 50 HDAA Cn1ccnc1CN1C[C@@H]2CN(C(=O)c3csc4c3CCCC4)C[C@@]2(CO)C1 1772809580 AOBUDCCCWNXEOX-QVKFZJNVSA-N 400.548 1.927 0 50 HDAA CN(C)C(=O)C[C@H]1CN2C[C@H](NC(=O)c3cc(-c4ccccc4)n(C)n3)C[C@H]2CO1 1857727643 WMDJSNQYBUNLHE-SQNIBIBYSA-N 411.506 1.137 0 50 HDAA O=C1CN(CCn2c(-c3cnccn3)cs/c2=N/c2ccc(F)cc2F)CCN1 1875255797 OQKOYVQYCSBLOV-NCELDCMTSA-N 416.457 1.949 0 50 HDAA O=C1CC[C@@H](N2Cc3c(cccc3-n3cc(-c4ccc(F)cn4)nn3)C2=O)C(=O)N1 1875356511 OZHANKPHOMDQRU-QGZVFWFLSA-N 406.377 1.229 0 50 HDAA O=C1CC[C@@H](N2Cc3cc(C(=O)Nc4cnc5n4CCCC5)ccc3C2=O)C(=O)N1 2325895994 OIXLTIFIWOAEJS-OAHLLOKOSA-N 407.430 1.233 0 50 HDAA O=C(NCc1cnn(-c2ccccc2)n1)[C@H]1CC(Cc2ccc3c(c2)OCO3)=NO1 12244434 QIOFFGHEGMYFLS-HXUWFJFHSA-N 405.414 2.000 0 50 HDAA Cc1ccc(CN2CCc3nnc(CCNC(=O)C4CCOCC4)n3CC2)s1 20453342 ZXMQXNQFFZQYHK-UHFFFAOYSA-N 403.552 1.792 0 50 HDAA O=C(c1ccccc1)[C@@H]1CCCN(C(=O)CCn2nnnc2CN2CCOCC2)C1 20917069 OCXNEAGKDADYMW-GOSISDBHSA-N 412.494 1.017 0 50 HDAA O=C1NC(=O)[C@](Cc2ccc(F)cc2)(C2CCN(c3ncnc4[nH]cnc34)CC2)N1 67773725 OZFRJQXEDATWKH-FQEVSTJZSA-N 409.425 1.529 0 50 HDAA COc1cccc(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N(C)Cc3nnc(C)o3)[C@@H]4C2=O)c1 77287774 VMHHCIBPGXJIOT-VGYLUTEMSA-N 424.457 1.327 0 50 HDAA CN(CCc1ccccc1)CCN1CC2(CCN(C(=O)[C@@H]3CCCN3)CC2)OC1=O 77541004 KEJFBRPEWCKUIW-FQEVSTJZSA-N 414.550 1.726 0 50 HDAA O=S(=O)(c1ccc(Cl)s1)N1CCN(Cc2nnc3n2CCCC3)CC1 170620921 SQGGGRSQHLRZGV-UHFFFAOYSA-N 401.945 1.836 0 50 HDAA COC(=O)CCOCCOCCOCCOCCOCCC(=O)OC(C)(C)C 214945638 BJNQNORQYFJOCD-UHFFFAOYSA-N 408.488 1.364 0 50 HDAA O=C([C@@H]1CN(S(=O)(=O)c2ccccc2Cl)CCO1)N1CCN(C2CC2)CC1 253427145 LIXGAWSVIKCOOE-INIZCTEOSA-N 413.927 1.036 0 50 HDAA Cc1ccccc1CC(=O)NC[C@@H]1CCCN(C(=O)CSc2nc(N)n[nH]2)C1 952967709 MCQDYCYSBCJOJL-AWEZNQCLSA-N 402.524 1.385 0 50 HDAA COc1ccc(C(=O)NC[C@H]2CCCN(C(=O)CSc3nncn3C)C2)cc1 952968837 QDTPLQNNMSFZJW-CQSZACIVSA-N 403.508 1.584 0 50 HDAA Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1NC(=O)Cn1c(=O)oc2ccccc21 1318730595 LCKNJYDHUUUMAE-CYBMUJFWSA-N 404.448 1.406 0 50 HDAA Cc1cc(C(C)(C)C)cc(S(=O)(=O)N2C[C@H](O)[C@@H](N3CCN(C)CC3)C2)c1C 1506430117 WJOKEWRGNLYVHS-OALUTQOASA-N 409.596 1.582 0 50 HDAA O=C(c1ccc2c(c1)nc(O)n2[C@H]1CC[C@H](O)CC1)N1CCC([C@@H](O)CO)CC1 1772708405 BEGBZMKJWJQXEK-BXWFABGCSA-N 403.479 1.423 0 50 HDAA Cn1cncc1CN1CCO[C@@]2(C[C@@H]3CC[C@H](C2)N3C(=O)c2n[nH]c3c2CCC3)C1 1857727930 GIAXPZJESLRWNM-BRLLKYFNSA-N 410.522 1.670 0 50 HDAA O=C(c1ccc(O)c(F)c1)N1CCO[C@@H](CN2CCOCC2)[C@@H]1c1cccnc1 1857735375 AYBCXBKAUZAKIW-PMACEKPBSA-N 401.438 1.841 0 50 HDAA O=S(=O)(NC[C@@H]1CCn2cnnc2C1)c1cccnc1NC[C@@H]1CCCCS1 1875335742 FOGVCMRTBRINCJ-CABCVRRESA-N 422.580 1.912 0 50 HDAA O=C1CC[C@@H](N2Cc3c(cccc3-n3cc(CN4CCCCC4)nn3)C2=O)C(=O)N1 1875355939 HJZNQDFYNODWKU-GOSISDBHSA-N 408.462 1.014 0 50 HDAA CN(CC(=O)N1C[C@H](C[C@H]2COCC(=O)N2)c2ccccc21)C(=O)c1ccccc1 2325725948 BOHHDTCUEZQPBT-ROUUACIJSA-N 407.470 1.794 0 50 HDAA O=C(N[C@H]1COC2(C1)CN(C(=O)c1ccc(-c3cc[nH]n3)s1)C2)c1ccccn1 2325872439 XVUVBKDFLBTOHK-CYBMUJFWSA-N 409.471 1.947 0 50 HDAA COCC(=O)N1CCCN(C(=O)c2cc3c(s2)CCOC32CCNCC2)CC1 2356155965 PUEUBTHCDAKMHE-UHFFFAOYSA-N 407.536 1.220 0 50 HDAA O=C(Cn1c(=O)oc2ccccc21)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 818890 KDSFLVCEYPVJLL-UHFFFAOYSA-N 417.443 1.254 0 50 HDAA O=C(c1cn(C[C@H]2CCCN(S(=O)(=O)c3cccc(F)c3)C2)nn1)N1CCCC1 12079995 XSDPETFVJGZWAW-OAHLLOKOSA-N 421.498 1.754 0 50 HDAA CCOC(=O)CNC(=O)N1CCC[C@H](CCC(=O)N(C)CCc2ccccn2)C1 12319509 DDHSBUULCVXPGN-QGZVFWFLSA-N 404.511 1.847 0 50 HDAA O=C(NCCN1CCOCC1)[C@H]1CNC[C@@H](COc2cccc(C(F)(F)F)c2)C1 14750140 JLOUWYPZEPOMME-JKSUJKDBSA-N 415.456 1.758 0 50 HDAA Cc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NCCc2nc3ccccc3n2C)o1 55107588 PHUXLBKBBQFORC-IBGZPJMESA-N 409.490 1.524 0 50 HDAA CC[C@H](N)C(=O)N1CCc2ccc(S(=O)(=O)N(C)Cc3nccs3)cc2C1 77322099 OTBDJEDXYGMFSN-INIZCTEOSA-N 408.549 1.586 0 50 HDAA COc1cccc(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N3CCn5cccc5C3)[C@@H]4C2=O)c1 77393529 QPCCBTSLAOEHRL-BLRYILKCSA-N 419.481 1.821 0 50 HDAA CC(C)(C)OC(=O)CCOCCOCCOCCON1C(=O)c2ccccc2C1=O 96503501 DXFQJIXZQAXLBR-UHFFFAOYSA-N 423.462 1.996 0 50 HDAA O=C(O)[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 136307465 QKPRYFGJUWCWLW-MGBSGCIJSA-N 410.467 1.406 0 50 HDAA O=C(c1ccc(CN2C(=O)NC3(CCS(=O)(=O)CC3)C2=O)cc1)N1CCCCC1 169772480 ZJGKNIWWSFENJO-UHFFFAOYSA-N 419.503 1.312 0 50 HDAA Cc1noc(C)c1NC(=O)c1cccc(S(=O)(=O)N2C[C@@H]3C[C@H]4C[C@H]3[C@H]2[C@H]4O)c1 408525073 JVZTZCLOLKEQMN-KYYHFZFISA-N 417.487 1.934 0 50 HDAA N=c1nc(CN[C@H](Cc2ccccn2)c2ccc(Br)cc2)[nH]c(=N)[nH]1 475723206 MCQLGHZXNDORKF-CQSZACIVSA-N 400.284 1.928 0 50 HDAA Cc1ccc(C(=O)N[C@H](C(=O)N[C@@H]2CCN([C@H](C(=O)O)C(C)C)C2=O)C(C)C)cc1 479006052 JMFDFUWGNWQBKV-SQNIBIBYSA-N 417.506 1.576 0 50 HDAA O=C([C@H]1CC(=O)N(c2n[nH]c3ccccc23)C1)N1C[C@@H]2C[C@@H](C1)[C@H]1CCCC(=O)N1C2 888088400 WHPFBAXYJMNJEV-IUVQAAGXSA-N 421.501 1.775 0 50 HDAA Cc1ccn2c(F)c(C(=O)N[C@H]3CC[C@@H](NS(=O)(=O)C4CCOCC4)C3)nc2c1 1857674258 ADDGUGIGJBSHRB-UONOGXRCSA-N 424.498 1.531 0 50 HDAA CCc1cc(CN(C)C(=O)[C@@H]2C[C@@H](O)[C@H](NC(=O)c3ccc(OC)nc3)C2)on1 1875250702 ZTBOLEAHOZYRAK-IAOVAPTHSA-N 402.451 1.169 0 50 HDAA CS(=O)(=O)c1nc(C2CC2)cc(N2C[C@H]3CN(C(=O)c4ccc[nH]4)C[C@H]3C2)n1 1875329843 GCDIXGKOLBIFJW-OKILXGFUSA-N 401.492 1.294 0 50 HDAA Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)N2CC[C@@]3(CCC(=O)N3)C2)cc1 1875345129 SIYDLKHLKNESPF-PXNSSMCTSA-N 405.520 1.419 0 50 HDAA Nc1ccc(-c2cn(-c3cccc4c3CN([C@H]3CCC(=O)NC3=O)C4=O)nn2)cc1 1875356267 MWMTZHGGLGDKAP-SFHVURJKSA-N 402.414 1.278 0 50 HDAA O=C1CC[C@@H](N2Cc3ccc(CNC(=O)Nc4ccc(F)cc4)cc3C2=O)C(=O)N1 2325886795 JLBUYGBBGCOMRG-QGZVFWFLSA-N 410.405 1.908 0 50 HDAA Cn1c(=O)[nH]c(=O)c2c1nc(S)n2C[C@@H](O)COc1ccc(Cl)cc1Cl 828752 LZLCBDONPUCBGN-MRVPVSSYSA-N 417.274 1.459 0 50 HDAA COc1ccccc1NC(=O)c1cn(CCNC(=O)Cc2ccc3c(c2)OCO3)nn1 12051658 PKTFYTRRDCQNCR-UHFFFAOYSA-N 423.429 1.627 0 50 HDAA COC(=O)CCC(=O)N1CCC(Oc2cccc(C(=O)N(C)CCN(C)C)c2)CC1 12302757 DHPYMVSUYHYTDY-UHFFFAOYSA-N 419.522 1.643 0 50 HDAA O=C(N[C@H](CCn1cncn1)c1ccccc1)c1cn(CCN2CCCCC2)nn1 12588255 KFWOWLHXKBXGFR-LJQANCHMSA-N 408.510 1.917 0 50 HDAA COc1cccc(C(=O)N2CCN3C(=O)[C@H](COCc4ccccc4)NC(=O)[C@H]3C2)c1 14533634 TVSAVWQMYAATIF-VQTJNVASSA-N 423.469 1.063 0 50 HDAA COc1ccccc1C(=O)N[C@H]1C[C@H]2C(=O)N[C@@H](COCc3ccccc3)C(=O)N2C1 14536773 IAAQTKLIZKSERG-WDSOQIARSA-N 423.469 1.110 0 50 HDAA COCCN1CCC(CN(C[C@H]2CCCO2)C(=O)Cn2nc3ccccc3n2)CC1 20906691 DEAPZJCKONRAMI-LJQANCHMSA-N 415.538 1.797 0 50 HDAA COc1ccc(CNC(=O)CC[C@@H]2CCCN(C(=O)c3ncn[nH]3)C2)c(OC)c1 95508253 CPJLSZWMJRLAGW-AWEZNQCLSA-N 401.467 1.771 0 50 HDAA COc1ccccc1O[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@@H](O)[C@H]1NC(C)=O 239274613 ALKOZBGCSKIQAN-GPHILITQSA-N 415.442 1.779 0 50 HDAA COc1ccc(CCN2C(=O)[C@@H](CCC(=O)N[C@@H](CO)C(C)C)N=C2O)cc1OC 252539480 OCCXBAKJTUOTNQ-CVEARBPZSA-N 421.494 1.284 0 50 HDAA Cc1c(C(=O)N2CCn3c(nnc3-c3ccccc3)C2)cnn1-c1ccc(O)nn1 465094394 KIXBMDQYLFTFIC-UHFFFAOYSA-N 402.418 1.591 0 50 HDAA Cc1cc(C)n(CCC(=O)N2C[C@@H]3CN(C(=O)c4csc(C)n4)C[C@@]3(CO)C2)n1 1772811963 CNYNDWBHNYMNKD-OXQOHEQNSA-N 417.535 1.248 0 50 HDAA Cn1ccnc1[C@@]1(CNC(=O)c2cc(-c3ccc(Cl)cc3)c[nH]2)NC(=O)NC1=O 1775985515 DUVCOXHFXOQLMV-LJQANCHMSA-N 412.837 1.533 0 50 HDAA O=C1C[C@H]2[C@H](CCN2C(=O)CN2CCOc3ccccc3C2)N1CCc1cccnc1 1857689186 IEDZEXQWSBNXCM-SFTDATJTSA-N 420.513 1.721 0 50 HDAA Cc1ccc(C(=O)N2CCC[C@H](C(=O)N3CCN(c4nnc(C)c(C)n4)CC3)C2)cc1 2325748808 VMRLETSNNGJUJJ-FQEVSTJZSA-N 422.533 1.998 0 50 HDAA O=C1CC[C@@H](CC(=O)NCC2(F)CCN(C(=O)c3csc4nccn34)CC2)CN1 2325824195 SXZOZWIPOADNHS-ZDUSSCGKSA-N 421.498 1.373 0 50 HDAA Cc1ccccc1OCC(=O)Nc1ccc2c(c1)C(=O)N([C@@H]1CCC(=O)NC1=O)C2 2325896103 RCRKEUTUQGHLNR-QGZVFWFLSA-N 407.426 1.774 0 50 HDAA CN(CC(=O)N1CCN(c2ccc(F)cc2)CC1)S(=O)(=O)c1ccc(F)cc1 1130455 AXNXIJLAVQHLQJ-UHFFFAOYSA-N 409.458 1.934 0 50 HDAA CCOC(=O)[C@]1(C)C=C(Nc2ccc(S(N)(=O)=O)cc2)C(=O)N1c1ccccc1 2308185 WQFRXHYDKKISFH-FQEVSTJZSA-N 415.471 1.998 0 50 HDAA O=C1NCCN(C(=O)Nc2ccccc2)[C@H]1CC(=O)N1CCN(c2ccccc2)CC1 9096628 NFMZGTWGPZDLRN-FQEVSTJZSA-N 421.501 1.758 0 50 HDAA Cc1c(C(=O)NC[C@H]2COCCO2)cnn1-c1ncc2c(n1)-c1ccccc1CC2 12028534 MJTGTKTVCJCFPC-KRWDZBQOSA-N 405.458 1.882 0 50 HDAA O=C1CC[C@@H](C(=O)N2CC(=O)N(Cc3cccnc3)C[C@@H](OCc3ccccc3)C2)N1 14746955 UYPOYQMAGPRWBT-UXHICEINSA-N 422.485 1.116 0 50 HDAA CN1CCN(C(=O)CC[C@@H]2CCCN(C(=O)Cc3ccc4c(c3)OCO4)C2)CC1 19720834 QPCMTADCIUMRLG-KRWDZBQOSA-N 401.507 1.751 0 50 HDAA Cc1ccc(OC[C@H]2CCCN(C(=O)c3cn(CCN4CCOCC4)nn3)C2)cc1 20206496 JGKVDRNJMBKEIO-IBGZPJMESA-N 413.522 1.850 0 50 HDAA CCN1CCN(C[C@@H](O)COc2cccc(CNCCn3nc(C)cc3C)c2)CC1 20783804 NQHPBQLKBHFGRF-JOCHJYFZSA-N 415.582 1.667 0 50 HDAA COCCN1CCN(Cc2ccc(OC)c(OC[C@H](O)CN(C)C(C)C)c2)CC1 22918953 GFHZCPGSLPKKEN-HXUWFJFHSA-N 409.571 1.539 0 50 HDAA COC(=O)CN(C)C(=O)C[C@@H]1C(=O)NCCN1Cc1ccccc1C(F)(F)F 55358741 KNSSYFBYWGKTSK-CQSZACIVSA-N 401.385 1.027 0 50 HDAA O=C(C[C@@H]1C(=O)NCCN1Cc1ccoc1)NC1CCN(c2ccc(F)cc2)CC1 55384854 LEYUTFJMXXCVQF-HXUWFJFHSA-N 414.481 1.894 0 50 HDAA Cc1nc(CCN(C)C(=O)[C@H]2[C@@H]3C=C[C@@]4(CN(C5CCCCCC5)C(=O)[C@@H]24)O3)no1 77357047 MGLGVEXPCNPTLC-UYZIEWPDSA-N 414.506 1.884 0 50 HDAA O=C([C@@H]1[C@@H]2C=C[C@@]3(CN(Cc4ccc(F)cc4)C(=O)[C@H]13)O2)N1CCc2n[nH]cc2C1 77385809 HXOFFQNZHKALOC-WEMPKCCASA-N 408.433 1.416 0 50 HDAA C[C@H](N)C(=O)N1CCc2cc(S(=O)(=O)NCCOc3ccccc3)ccc2C1 77541129 LFXYGACWHKBYRN-HNNXBMFYSA-N 403.504 1.276 0 50 HDAA CC(=O)N[C@@H](CC(=O)N1CCC[C@@H]1c1nc(C(N)=O)no1)c1ccc(Cl)cc1 170614427 KBEPNBYCFCRVIB-UONOGXRCSA-N 405.842 1.753 0 50 HDAA Cc1c(NC(=O)[C@H](C)N2C(=O)[C@@H]3CCCC[C@H]3C2=O)c(=O)n(-c2ccccc2)n1C 239203484 SLKBUXDMUWFXNV-USXIJHARSA-N 410.474 1.987 0 50 HDAA O=C(c1cc(S(=O)(=O)Nc2ccc(F)c(-c3nc[nH]n3)c2)c[nH]1)N1CCCC1 253421198 RPBFZPAZWFMHCP-UHFFFAOYSA-N 404.427 1.976 0 50 HDAA Cc1nc(C)n(C2CN(S(=O)(=O)C3CN(C(=O)c4cccc(Cl)c4)C3)C2)n1 685510296 JWUPALNQXVBSQZ-UHFFFAOYSA-N 409.899 1.259 0 50 HDAA O=C(Cn1c(=O)ccn(Cc2ccccc2)c1=O)N[C@H](CCO)Cc1ccccc1 799808568 VNPOSFYTVRUTLQ-HXUWFJFHSA-N 407.470 1.168 0 50 HDAA O=C(CCc1n[nH]c2c1CCCC2)NCCNS(=O)(=O)c1ccc(Cl)cc1 952966690 WEZKGZCVRCLVHP-UHFFFAOYSA-N 410.927 1.969 0 50 HDAA CCOc1cc(C)c(Cl)cc1S(=O)(=O)N1C[C@H](O)[C@@H](N2CCOCC2)C1 1506429445 URKLGPDZCJEBME-GJZGRUSLSA-N 404.916 1.113 0 50 HDAA CCOCC(=O)N1C[C@@H]2CN(C(=O)CNC(C)=O)C[C@@]2(CCc2ccccc2)C1 1772711857 GRSHOPUIWJVNIS-UGKGYDQZSA-N 401.507 1.079 0 50 HDAA CCn1nncc1S(=O)(=O)N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O 1857527636 YUMZGSHTHGBBLI-GFCCVEGCSA-N 419.385 1.280 0 50 HDAA O=C([C@H]1[C@@H]2CC[C@H]1CN2C(=O)CCc1nc2ccc(F)cc2[nH]1)N1CCC(O)CC1 1857722212 RDQIFYVNFKFQTJ-LTBCBRHQSA-N 414.481 1.855 0 50 HDAA CCSC[C@H](C)c1cn(-c2ccc3c(c2)CN([C@@H]2CCC(=O)NC2=O)C3=O)nn1 1875355426 KDVOZQXANDMICK-YVEFUNNKSA-N 413.503 1.885 0 50 HDAA C=CC(=O)N1CCC(C(=O)N2CCN(S(=O)(=O)c3cc(C)ccc3C)CC2)CC1 1875365653 LTJZDBJQTNQDJI-UHFFFAOYSA-N 419.547 1.561 0 50 HDAA Cc1cc2c(cc1C)O[C@H](C(=O)N1C[C@@H]3C[C@H]1CN3C(=O)c1cn(CCO)nc1C)C2 2325829636 OIKAHPZOTHNQGC-WFXMLNOXSA-N 424.501 1.230 0 50 HDAA Cc1cc(Cl)c(C(=O)N2CCN(C(=O)c3cc(C(N)=O)c[nH]3)C[C@H]2C)cc1N 2325872799 NIPFGAPLVMGQAD-LLVKDONJSA-N 403.870 1.644 0 50 HDAA CN(C)[C@H](C(=O)N1CCc2nc(C3CCOCC3)nn2CC1)c1ccccc1F 2356152387 HBAWAUQPLBZFAW-IBGZPJMESA-N 401.486 1.999 0 50 HDAA COc1cc2c(cc1OC)C1(CCN(C(=O)Cn3ccc(O)nc3=O)CC1)OCC2 2356153275 ZAMOBRAOLWQLLX-UHFFFAOYSA-N 415.446 1.057 0 50 HDAA CCOC(=O)c1nn(Cc2ccccn2)c2c1CN(C(=O)c1cnn(CC)c1)CC2 14746294 PKFCFMFSYDVCQF-UHFFFAOYSA-N 408.462 1.918 0 50 HDAA COc1ccc(CC(=O)N2CCc3nnc(CNC(=O)c4ccncc4)n3CC2)cc1 14878906 TUKMHLYATXEJLL-UHFFFAOYSA-N 420.473 1.239 0 50 HDAA Cc1ccc(OC[C@@H]2CCCN(C(=O)c3cn(CCN4CCOCC4)nn3)C2)cc1 20206492 JGKVDRNJMBKEIO-LJQANCHMSA-N 413.522 1.850 0 50 HDAA CCn1nc(C(=O)N2CCCC2)c2c1CCN(C(=O)Cc1cn3ccsc3n1)C2 20452733 UJOGZGPJEODEND-UHFFFAOYSA-N 412.519 1.976 0 50 HDAA CN(C)[C@H]1CCN(S(=O)(=O)c2ccc3c(c2)CN(C(=O)NC(C)(C)C)CC3)C1 77519234 QOUOWROYDGVLCY-KRWDZBQOSA-N 408.568 1.877 0 50 HDAA C[C@H](C(=O)N(C)C[C@@]1(O)CCN(Cc2ccccc2)C1)n1nnc(-c2ccccc2)n1 170601434 MQMPZNSQYGDVHE-JPYJTQIMSA-N 420.517 1.997 0 50 HDAA COc1cc2ncn(CC(=O)N[C@@H](C(=O)NC(C)C)C(C)C)c(=O)c2cc1OC 207892214 GZOWGPOXWPFYBV-GOSISDBHSA-N 404.467 1.079 0 50 HDAA O=C(NCc1ccc(-c2cccc(Cl)c2)o1)c1cc2n(n1)C[C@@H](O)CNC2=O 244817180 SVOWLGWSAKJRKP-ZDUSSCGKSA-N 400.822 1.831 0 50 HDAA Cc1ccc(S(=O)(=O)N2CCCN(CN3C(=O)[C@@H]4CC=CC[C@H]4C3=O)CC2)cc1 252444012 OPKPUYWGZZRINR-RTBURBONSA-N 417.531 1.600 0 50 HDAA O=C(Cn1nnnc1[C@H](c1ccccc1)N1CCOCC1)NCc1cc(C2CC2)n[nH]1 426424391 RZCUSKRNEGNHOT-FQEVSTJZSA-N 422.493 1.012 0 50 HDAA COCCN1CC[C@H](C(=O)N2CCCN(C(=O)c3ccc(N(C)C)cc3)CC2)C1 1704304080 KNIPNQPRZYDBMD-IBGZPJMESA-N 402.539 1.395 0 50 HDAA CCOC(=O)[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CCN(C(=O)c1cc(C)on1)C2 1857689675 JMBQIOZRIPEARX-CBGDNZLLSA-N 405.495 1.879 0 50 HDAA COc1cc(Cl)c(S(=O)(=O)N2CC[C@@]34OCCN3C(=O)C[C@@H]24)cc1Cl 1857727157 MIIMKEYFJWCEPG-HIFRSBDPSA-N 407.275 1.724 0 50 HDAA CCc1noc(CNC(=O)[C@@H]2CC(=O)N(c3nnc(Cc4ccccc4)s3)C2)n1 1857728415 APHJPODWRHXKED-CYBMUJFWSA-N 412.475 1.744 0 50 HDAA OCC1(CO)CC(n2cnc3c(N4CCC[C@@H](N5CCCC5)CC4)ncnc32)C1 1875269298 ULLJIBRQRAGVIQ-MRXNPFEDSA-N 400.527 1.587 0 50 HDAA COC(=O)c1cccc(Oc2nc(N3CCOCC3)nc(N3CCOCC3)n2)c1 1115432 KCHLRQLIBLVFFS-UHFFFAOYSA-N 401.423 1.124 0 50 HDAA CCOC(=O)[C@@]1(CCOc2ccccc2)CCCN(C(=O)CCn2cnnn2)C1 11878622 YQDAIPWBHPSHSL-HXUWFJFHSA-N 401.467 1.704 0 50 HDAA COC(=O)[C@@H]1CCCCN1C(=O)CSc1ccc2nnc(-c3cccnc3)n2n1 11963156 JGASIRRONJYGJA-AWEZNQCLSA-N 412.475 1.833 0 50 HDAA CCn1cc(CN2CCc3c(c(C(=O)NCc4ccccc4)nn3CCO)C2)c(C)n1 14531741 WQZNRQFPLBVKSG-UHFFFAOYSA-N 422.533 1.889 0 50 HDAA COc1cccc(CN2CCNC(=O)[C@H]2CC(=O)N(C)C2CCOCC2)c1OC 14962250 BAUIMBKVSBBEFB-QGZVFWFLSA-N 405.495 1.032 0 50 HDAA COCCN1C(=O)C[C@@H](C(=O)OC)C12CCN(Cc1ccc3c(c1)CCO3)CC2 14971947 DWRSHDJWUFVREN-SFHVURJKSA-N 402.491 1.624 0 50 HDAA COC(=O)[C@@H]1[C@H](c2ccccc2)N[C@H](c2ccccc2)[C@@H](C(=O)OC)S1(=O)=O 19301146 HXZGSGMQZHHVEH-MHORFTMASA-N 403.456 1.570 0 50 HDAA CC[C@@H](C(=O)N1CCN(Cc2ccccc2)CC1)n1c(=O)[nH]c2ccccc2c1=O 20412116 IZPXPVWEMSOMDW-FQEVSTJZSA-N 406.486 1.985 0 50 HDAA CCn1ccc(C(=O)N2CCC(N3CCC[C@H](C(=O)N4CCCC4)C3)CC2)cc1=O 71746408 ZYEDZWDFIXEROU-IBGZPJMESA-N 414.550 1.807 0 50 HDAA Cc1cccc(S(=O)(=O)N2CCN(c3ccnc(N4CCOCC4)n3)CC2)c1 72441976 OBZYQPGDHVYAIK-UHFFFAOYSA-N 403.508 1.133 0 50 HDAA CN(C)[C@@H]1CCN(S(=O)(=O)c2ccc3c(c2)CN(C(=O)c2cccnc2)CC3)C1 77374957 ZBZKPMXZTGSRMI-LJQANCHMSA-N 414.531 1.605 0 50 HDAA Cc1nnc(CN(C)C(=O)[C@@H]2[C@@H]3C=C[C@@]4(CN(c5ccc(C)c(C)c5)C(=O)[C@H]24)O3)o1 77535284 PUSUSNXRRREDMT-ZBPHCFQXSA-N 408.458 1.940 0 50 HDAA CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC[C@@H]1CN(CC(C)C)CCO1 229500267 AEPMRHYULFQQRU-NQIIRXRSSA-N 400.523 1.688 0 50 HDAA C[C@]1(c2cccc(-n3cnnn3)c2)NC(=O)N(CC(=O)Nc2ccc(F)cc2)C1=O 241171102 KEEUGUWTLAYYKK-LJQANCHMSA-N 409.381 1.207 0 50 HDAA C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)CC(=O)NC[C@H]1COc2ccccc2O1 252139735 GJDJWVDAOCTMHY-ZBFHGGJFSA-N 419.503 1.283 0 50 HDAA CC[C@H](C)[C@H](CO)NC(=O)C[C@@H]1N=C(O)N(CCc2ccc(OC)c(OC)c2)[C@@H]1O 252536776 JOFHZOMLDCBFMW-XCGRYBKZSA-N 423.510 1.076 0 50 HDAA Cc1nnc(CN2CCC(N3C[C@@H](COc4ccc(F)cc4)OCC3=O)CC2)n1C 299763208 ZAKOWUKTQKCUKY-IBGZPJMESA-N 417.485 1.533 0 50 HDAA CC[C@@H](C(=O)N1CCCN(Cc2cc(=O)n3ccsc3n2)CC1)n1cccn1 1529127076 ZYZJEGMNTNYMFO-INIZCTEOSA-N 400.508 1.638 0 50 HDAA Cc1nn(C)c(C)c1S(=O)(=O)N1CCC[C@@]2(CCc3cnc(N(C)C)nc32)C1 2356154450 WJXXTZLBUYWQNX-LJQANCHMSA-N 404.540 1.562 0 50 HDAA Cc1cc(C)n2nc(C(=O)N3CCC[C@@]4(CCc5cnc(N(C)C)nc54)C3)nc2n1 2356154666 FGPOJEUVKAFZDB-OAQYLSRUSA-N 406.494 1.717 0 50 HDAA COc1cc(OC)cc(C(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c1 899977 WGZHWRDJHDYUTM-UHFFFAOYSA-N 408.451 1.990 0 50 HDAA COC(=O)Cc1ccc(NC(=S)N2CCC(C(N)=O)(N3CCCCC3)CC2)cc1 987520 LFOAFEFNZGFVQE-UHFFFAOYSA-N 418.563 1.905 0 50 HDAA COC(=O)[C@H](C)NC(=O)[C@H]1CCCN1S(=O)(=O)c1cc(C)c(Cl)cc1C 4891296 RARDHEXCDGEDBD-GXTWGEPZSA-N 402.900 1.788 0 50 HDAA CCCCN1C[C@@H](C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1=O 9668545 GHVNHFJVQKAZNF-HNNXBMFYSA-N 409.508 1.295 0 50 HDAA COc1cccc([C@]2(CC(=O)N(C)CC(C)C)CC(=O)N(CCN(C)C)C2=O)c1 12037023 VJQLVCGRNCEDEG-QFIPXVFZSA-N 403.523 1.758 0 50 HDAA CC(C)CNc1cc(C(=O)N2CCC[C@@H](C(N)=O)C2)cc(S(=O)(=O)N(C)C)c1 14542568 JHMOEXJNMFHAMO-CQSZACIVSA-N 410.540 1.342 0 50 HDAA Cc1n[nH]c(SCCNCc2c(C(=O)N3CCOCC3)nc3c(C)cccn23)n1 20776696 IAGOPXUVTBZAKG-UHFFFAOYSA-N 415.523 1.424 0 50 HDAA CCCn1nc(C(=O)N2CCCCC2)c2c1CC[C@@H](NCCN1CCOCC1)C2 23353941 YPFRFLCLLBFIAC-GOSISDBHSA-N 403.571 1.698 0 50 HDAA COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)c1ccc(COC)o1)CC2 95518394 WWBHSSOCRQYGHO-UHFFFAOYSA-N 402.451 1.312 0 50 HDAA CN(C)S(=O)(=O)N1CCC(Oc2cccc(C(=O)N3C[C@H]4CC[C@H]3C4)c2)CC1 100919401 VBXSEBFDCFYVGA-RDJZCZTQSA-N 407.536 1.961 0 50 HDAA CC1=NN(C(=O)C(=O)N2N=C(C)[C@@H]3[C@@H]4[C@H](C[C@@]32O)C4(C)C)[C@]2(O)C[C@@H]3[C@@H]([C@@H]12)C3(C)C 252320650 IRCYFCMAOKHGHL-ZXIHTXQOSA-N 414.506 1.384 0 50 HDAA Cc1noc(C)c1CN1CCc2c(C(=O)NCCc3nc(N)n[nH]3)csc2C1 426442781 YSZVVYNHCJHQAA-UHFFFAOYSA-N 401.496 1.584 0 50 HDAA Cc1cc(O)cc(=O)n1CCC(=O)N1CCCN(C(=O)c2ccccc2F)CC1 437577415 MLLAXYKAEOCOPG-UHFFFAOYSA-N 401.438 1.766 0 50 HDAA O=C(Nc1cccc(-c2cnn[nH]2)c1)c1cccc(CN2CCS(=O)(=O)CC2)c1 443670510 VHOLTGHLEYOXDM-UHFFFAOYSA-N 411.487 1.954 0 50 HDAA Cc1nn(C)c(C)c1CCC(=O)N1CCCN(S(=O)(=O)N2CCCCC2)CC1 952987932 HKXCTTBIIDYRKX-UHFFFAOYSA-N 411.572 1.235 0 50 HDAA Cc1cc(CN2C[C@H]3CN(CCS(=O)(=O)c4ccccc4)C[C@@]3(CO)C2)on1 1772803911 AKAVKGBSHZTGJZ-XLIONFOSSA-N 405.520 1.183 0 50 HDAA CC[C@H]1[C@@H](C(=O)N(C)CC)C[C@H]2CN(C(=O)c3ccc4c(c3)OCO4)CC(=O)N21 1857708520 XZRLXBHJZLITMT-JYJNAYRXSA-N 401.463 1.345 0 50 HDAA O=C(N[C@H]1CC[C@H](O)CC1)[C@H]1CC(=O)N(c2nnc(Cc3ccccc3)s2)C1 1857711558 GLBSPUZNIRFNPT-JYJNAYRXSA-N 400.504 1.902 0 50 HDAA COc1ccc(C(=O)N2CCn3c(nnc3-c3ccccn3)C2)cc1N1CCNC1=O 1875263736 QSQZYFWPDRKCDD-UHFFFAOYSA-N 419.445 1.534 0 50 HDAA Cc1nc(C)c(C(=O)NCCCCc2cn(Cc3nc(C(=O)O)co3)nn2)s1 1875325210 UACICHPORUAPQT-UHFFFAOYSA-N 404.452 1.839 0 50 HDAA Nc1cc(NC(=O)NC2CC2)ccc1C(=O)N[C@H]1c2cccc(O)c2C[C@@H]1C(=O)O 2325898434 CCYMLLLLZCFHPI-YJBOKZPZSA-N 410.430 1.986 0 50 HDAA O=C(NCCNC1=NS(=O)(=O)c2ccccc21)c1cccc(Br)c1 2501586 LQJNKUOZYQGXNQ-UHFFFAOYSA-N 408.277 1.918 0 50 HDAA Cc1cc(N2CCCCS2(=O)=O)cc(C)c1S(=O)(=O)NC[C@H]1CCCO1 12004307 HQPGNNNSVFCGAF-MRXNPFEDSA-N 402.538 1.691 0 50 HDAA C[C@H](NS(=O)(=O)c1ccccc1)C(=O)N1CCC[C@H](c2nnc3ccccn23)C1 12408532 BBTZLMCMRZMSAZ-HOTGVXAUSA-N 413.503 1.802 0 50 HDAA COc1cc(O)ccc1CN1CCc2nnc([C@H](NS(C)(=O)=O)C(C)C)n2CC1 14885584 KYCQEZSTDUCVIQ-GOSISDBHSA-N 423.539 1.297 0 50 HDAA Cc1ccc(S(=O)(=O)NCCCn2cc(C(=O)N3CCSCC3)nn2)cc1 14958688 IHULHKUOAZFAAV-UHFFFAOYSA-N 409.537 1.144 0 50 HDAA COc1cccc(S(=O)(=O)N2CCN(c3cc(-n4ccnc4C)ncn3)CC2)c1 67613644 SBQVWPJRNNAIAP-UHFFFAOYSA-N 414.491 1.490 0 50 HDAA CN(C)CCNC(=O)c1ccc(OC2CCN(S(C)(=O)=O)CC2)c(Cl)c1 95521512 ILCGOZPWZLTWBN-UHFFFAOYSA-N 403.932 1.434 0 50 HDAA O=c1c2c(CO)c(-c3ccc(F)cc3)nn2ccn1Cc1nc(-c2cnccn2)no1 263615209 BDXOTJRPPKLNDP-UHFFFAOYSA-N 419.376 1.683 0 50 HDAA Cn1c(=O)n(C)c2nc(NC(=O)CCC(=O)N3CCC[C@H]3Cc3ccccc3)ccc21 427915634 POZYPGFFWJLLBE-KRWDZBQOSA-N 421.501 2.224 0 50 HDAA Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1NC(=O)c1cc(-c2ccccn2)[nH]n1 1529174271 SJMCGEPJIGXZHT-CYBMUJFWSA-N 400.464 1.897 0 50 HDAA CCOC(=O)CN(C)c1ncc(CN2CCN(c3ccc(F)cn3)[C@H](C)C2)cn1 1857682045 MLGVKZOXERPUAT-OAHLLOKOSA-N 402.474 1.721 0 50 HDAA CC(C)N(C)CC(=O)NC[C@H]1[C@H]2CN(CCc3ccc(O)cc3)C[C@]23CC[C@H]1O3 1857718881 XZSKJXAFUBTUCQ-ZZLPTCMGSA-N 401.551 1.871 0 50 HDAA COc1ccc([C@@H](CC(=O)NCCCN(C)C)c2c(O)nc3ccccn3c2=O)cc1 2049512055 XSLGVZDXCXOXDG-GOSISDBHSA-N 424.501 1.999 0 50 HDAA Cc1cc(C)n2ncc(C(=O)N3CCN(C(=O)c4cn(CC5CC5)nn4)C[C@H]3C)c2n1 2325828696 OMULICVGWALUOD-OAHLLOKOSA-N 422.493 1.334 0 50 HDAA CCOC(=O)N1CCN(C(=O)COc2ccc(S(=O)(=O)NC(C)C)cc2)CC1 798727 QLQULGSITRPDNL-UHFFFAOYSA-N 413.496 1.053 0 50 HDAA CCOC(=O)[C@H](CC)Sc1nc2c(c(=O)[nH]c(=O)n2C)n1C/C=C(/C)Cl 2361904 WCEQHYBVVNNHCD-RNKPRXRFSA-N 400.888 2.000 0 50 HDAA CCC[C@@H]1NC(=O)[C@H]2CN(S(=O)(=O)c3ccc4ccccc4c3)CCN2C1=O 14740597 OHHSMUDGEGSFGK-ZWKOTPCHSA-N 401.488 1.340 0 50 HDAA CN(Cc1cnn(C)c1)C(=O)C[C@H]1C(=O)NCCN1Cc1ccc(F)cc1Cl 55569081 XIXZJXBPBUMRMI-KRWDZBQOSA-N 407.877 1.562 0 50 HDAA CCc1nc(CN(C)C(=O)[C@@H]2[C@@H]3C=C[C@@]4(CN(c5ccc(F)cc5)C(=O)[C@H]24)O3)no1 77287223 BYODNKOUCPNJKY-NFQYFHPZSA-N 412.421 1.716 0 50 HDAA Cc1cccc(N2CCN(C(=O)CN3CCN(c4ncncc4Cl)CC3)CC2)c1 170601527 MZAXCSXTDRYOOQ-UHFFFAOYSA-N 414.941 1.909 0 50 HDAA COC(=O)c1nc(NC(=O)C[C@H]2NC(=O)N(CCc3ccccc3)C2=O)sc1C 206241277 MVRFVLODUQHTTD-CYBMUJFWSA-N 416.459 1.730 0 50 HDAA COc1ccc(CCN2C(=O)[C@@H](CC(=O)NCc3ccccn3)N=C2O)cc1OC 252538999 NQSXRWSRSIEGCI-MRXNPFEDSA-N 412.446 1.473 0 50 HDAA Cc1cn2nnc(C(=O)N3CCC(C(=O)N[C@H]4CCc5ccccc54)CC3)c2c(O)n1 263616274 HWBJIXWUTBBFKG-KRWDZBQOSA-N 420.473 1.794 0 50 HDAA O=C1CO[C@@H](COc2ccc(F)cc2)CN1C1CCN(Cc2ncccn2)CC1 299766889 ULMJBAVQQZKUKL-LJQANCHMSA-N 400.454 1.887 0 50 HDAA O=C(Nc1ccc(S(=O)(=O)N2C[C@@H]3C[C@H]4C[C@H]3[C@H]2[C@H]4O)cc1)c1cnccn1 408521309 PDXMXYNDZQBQFG-QBXRVLTGSA-N 400.460 1.119 0 50 HDAA Cc1ccc(C(=O)NC[C@H]2CCn3ncc(C(=O)N4CCN(C)CC4)c3C2)c(O)c1 436797248 ZMXSTBOEKWIZGU-INIZCTEOSA-N 411.506 1.277 0 50 HDAA COc1ccc(NC(=O)c2ccc(OCC(=O)N3CCOCC3)cc2)c2nonc12 952860938 VMPNIUJMRQOEJF-UHFFFAOYSA-N 412.402 1.721 0 50 HDAA O=C(Cn1c(=O)oc2ccccc21)NC1CCN(S(=O)(=O)c2ccccc2)CC1 952987388 NKNSOHHRRMCWLM-UHFFFAOYSA-N 415.471 1.564 0 50 HDAA CCNC(=O)N1[C@H]2CC[C@@H]1C[C@]1(C2)CN(C(=O)c2cn3ccsc3n2)CCO1 1857678947 NGAUBGKXPFMWSR-BDQBCWGISA-N 403.508 1.963 0 50 HDAA Cc1cnc(C(=O)N[C@@H]2CN3CCCC[C@@]3(C(=O)N3C[C@H]4CC=CC[C@H]4C3)C2)cn1 1857684329 JFOIMJMTHQPEQZ-YWNPBTLJSA-N 409.534 1.936 0 50 HDAA O=C(CC1=CCCC1)N[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)Nc3ccccc3)C[C@@H]12 1857686772 GYZBDAYJUBQIQL-KSZLIROESA-N 403.504 1.933 0 50 HDAA CCc1nnc(N2C[C@H](C(=O)NCc3nc4cc(OC)ccc4o3)CC2=O)s1 1857714747 KCQPJZIQALFYTD-SNVBAGLBSA-N 401.448 1.920 0 50 HDAA CCOC(=O)[C@H]1[C@@H](C)C=C[C@H]2CN(c3cncc(C(=O)N4CCOCC4)n3)C[C@H]12 1857740513 QRKBJZUPWXWZOI-FPXQBCRKSA-N 400.479 1.387 0 50 HDAA C=CC(=O)NCc1ccc(C(=O)N[C@H]2COCCN(C(=O)OC(C)(C)C)C2)cc1 1875370495 QWTQTJHBISUYNP-QGZVFWFLSA-N 403.479 1.855 0 50 HDAA C[C@H]1C[C@H](NC(=O)[C@H]2CN3CCC[C@H]3CO2)CN1C(=O)c1ccc(-c2ccccn2)o1 2325828542 KDAVEOCFOBYVLT-NWZZKEMCSA-N 424.501 1.924 0 50 HDAA O=C1CC[C@H](N2Cc3ccc(CNC(=O)OC[C@@H]4C[C@@H]5CC[C@H]54)cc3C2=O)C(=O)N1 2325900715 GZZAOCOZOITDFN-SCNOPHJPSA-N 411.458 1.720 0 50 HDAA CCOC(=O)C[C@@H]1C(=O)NCCN1C(=O)COc1ccc(Br)cc1C 1069665 HRXUBYMASKBDIT-CYBMUJFWSA-N 413.268 1.417 0 50 HDAA Cc1nn(C)cc1CN(C)Cc1cnc(S(=O)(=O)CC2CC2)n1C[C@H]1CCCO1 11820343 MFSARKFQPDCIFO-LJQANCHMSA-N 421.567 1.920 0 50 HDAA O=C1NCCN(C2Cc3ccccc3C2)[C@H]1CC(=O)N(CCO)Cc1ccccc1 11843867 JQBYULCBWKPQLP-QFIPXVFZSA-N 407.514 1.365 0 50 HDAA COc1cc(CN(C)Cc2ccn[nH]2)ccc1OC[C@H](O)CN1CCSCC1 12300569 JIKPWBZOUFCKSU-GOSISDBHSA-N 406.552 1.839 0 50 HDAA COc1ccc(C[C@@H]2NC(=O)[C@@H]3C[C@H](NCc4ccccc4OC)CN3C2=O)cc1 14749363 MJTAHPBHMLHEIB-IHPCNDPISA-N 409.486 1.504 0 50 HDAA Cn1ccnc1CN1CCN(Cc2c(C(=O)N3CCCC3)nc3sccn23)CC1 20448892 ITOMZIBMEHBWFL-UHFFFAOYSA-N 413.551 1.683 0 50 HDAA CCN1CCN(C(=O)C2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)CC1 31809662 NVEUWQVHPCENRY-UHFFFAOYSA-N 411.432 1.524 0 50 HDAA COc1ccccc1N1CCN([C@@H]2CCCN(C(=O)C3=NN(C)C(=O)CC3)C2)CC1 61969708 JZURRGUTMSIYEZ-QGZVFWFLSA-N 413.522 1.416 0 50 HDAA Cc1ccc(C)c(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N3CCc5n[nH]cc5C3)[C@@H]4C2=O)c1 77440060 UYEJSHGRRDBSAQ-BLRYILKCSA-N 418.497 1.893 0 50 HDAA CCN1CCN(C(=O)[C@@H]2[C@@H]3C=C[C@@]4(CN(CCOc5ccccc5)C(=O)[C@@H]24)O3)CC1 77453026 CIMFRZPUIXFECD-VAWZGJIGSA-N 411.502 1.012 0 50 HDAA COC(=O)CS(=O)(=O)c1ncc(-c2ncc(C(F)(F)F)cc2Cl)c(N)n1 261494838 LCDGDYBWFHXRDT-UHFFFAOYSA-N 410.761 1.740 0 50 HDAA O=C(NCc1nc(-c2ccccn2)no1)c1sccc1S(=O)(=O)N1CCCC1 670445308 KLBQLTUZGJPJAY-UHFFFAOYSA-N 419.488 1.908 0 50 HDAA O=C(Cc1csc(-c2nc[nH]n2)n1)N1CC[C@@H]2CN(C(=O)C(F)(F)F)C[C@@H]2C1 1449481421 VHYIMPNYAQRCCA-ZJUUUORDSA-N 414.413 1.340 0 50 HDAA Cc1ncc(CN(CCO)C(=O)c2cccc(OCC(=O)N3CCCCC3)c2)[nH]1 1704332697 UFWVWFRZJCWHEP-UHFFFAOYSA-N 400.479 1.744 0 50 HDAA CC1=C(CN2C[C@H]3CN(S(=O)(=O)c4cn[nH]c4)C[C@@]3(CO)C2)C(C)(C)CCC1 1772806742 KDCRVXZPRSZJID-OXJNMPFZSA-N 408.568 1.851 0 50 HDAA CS(=O)(=O)N[C@H]1CCC[C@H]2CN(C(=O)CN3CCOc4ccccc4C3)C[C@@H]12 1857678533 MKBAEFAODDGTCH-JQHSSLGASA-N 407.536 1.057 0 50 HDAA CO[C@H]1C[C@@H](C(=O)N(C)Cc2cnn(C)c2)CC[C@@H]1NC(=O)CCc1cnccn1 1857695066 RZPUOAPCDPGUDZ-WDSOQIARSA-N 414.510 1.101 0 50 HDAA Cc1cnc(CN2C(=O)C[C@H]3[C@@H]2CCN3C(=O)c2ccccc2-n2cnnc2)cn1 1857706817 RODSXRSYDJCDGB-OALUTQOASA-N 403.446 1.381 0 50 HDAA CS(=O)(=O)NCCNC(=O)[C@H]1CCCN(c2nc3cc(Cl)ccc3o2)C1 1857716323 HDJNHMLZMNYGLD-NSHDSACASA-N 400.888 1.363 0 50 HDAA CCc1nnc(N2C[C@@H](C(=O)NC3CCN(C4CCOCC4)CC3)CC2=O)s1 1857728065 LNPIUQGURBDXSM-ZDUSSCGKSA-N 407.540 1.213 0 50 HDAA COC(=O)c1cc(Br)c(Cn2c(Cl)cc(=O)n(C)c2=O)cc1OC 1875341394 RBGHILRBVONUSZ-UHFFFAOYSA-N 417.643 1.806 0 50 HDAA O=C1CC[C@H](N2Cc3ccc(-n4cc(COc5ccccc5)nn4)cc3C2=O)C(=O)N1 1875356722 VSJQJYYODIQELY-IBGZPJMESA-N 417.425 1.607 0 50 HDAA O=C1CO[C@H](C(=O)N2CCC(N3CCCC3=O)CC2)[C@@H](c2ccccc2Cl)N1 2100477062 AXBAEQYWPNVROP-MOPGFXCFSA-N 405.882 1.510 0 50 HDAA COC(=O)CNC(=O)[C@H](c1ccccn1)N(C(=O)c1ccccc1)c1cnn(C)c1 2325827200 YZTPYQQXXLYREI-IBGZPJMESA-N 407.430 1.492 0 50 HDAA COCCOC(=O)C1=C(N)OC(C)=C(C(=O)OC(C)C)[C@]12C(=O)Nc1ccccc12 2051523 JIXGGAXBEGARNZ-NRFANRHFSA-N 416.430 1.492 0 50 HDAA O=C(c1cn(C[C@@H]2COc3ccccc3O2)nn1)N1CCN(C2CCCC2)C(=O)C1 11872954 PHDFCVONWDHNHL-MRXNPFEDSA-N 411.462 1.345 0 50 HDAA COc1ccc(CN2CCNC(=O)C2)c(OC[C@@H](O)CN2CCCCCCC2)c1 12075016 WAZRLGVRESKSKJ-IBGZPJMESA-N 405.539 1.633 0 50 HDAA COc1cccc(CN2CCc3nnc([C@@H](NS(C)(=O)=O)C(C)C)n3CC2)c1 12127450 BFCOYGSAWACJMJ-SFHVURJKSA-N 407.540 1.591 0 50 HDAA COC[C@H](C)NC(=O)[C@@H]1CCCN(c2nc(C)c3ccc(S(C)(=O)=O)cc3n2)C1 14887143 KSMPIDZWGCRACC-DZGCQCFKSA-N 420.535 1.709 0 50 HDAA O=C(NCCN1CCOCC1)c1cn2c3c(cc(Br)cc3c1=O)CC2 33089021 AOXVBFRHQIVYMZ-UHFFFAOYSA-N 406.280 1.382 0 50 HDAA COc1cc(OC)cc(C(=O)N2CCN(c3cc(N4CCOCC4)ncn3)CC2)c1 38522546 VGJFZQITZCYOET-UHFFFAOYSA-N 413.478 1.293 0 50 HDAA COc1cccc(S(=O)(=O)N2CCN(c3cc(N4CCCC4)nc(C)n3)CC2)c1 65364540 VJOMZDGDAKDOEF-UHFFFAOYSA-N 417.535 1.905 0 50 HDAA CN1CCC(Oc2ccc(NC(=O)[C@H]3CCCN(S(=O)(=O)N(C)C)C3)cc2)CC1 67629577 HCFUJVFCAMMVAG-INIZCTEOSA-N 424.567 1.617 0 50 HDAA CN(Cc1ccoc1)C(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(c4ccc(CCO)cc4)C(=O)[C@H]13)O2 77407580 KMRSBFCYEPWJMN-MXBUBSDBSA-N 408.454 1.759 0 50 HDAA O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]2C(=O)N1c1cccnc1)[C@H]1C(=O)N(c2cccnc2)C(=O)[C@H]31 244741904 NYRYURCICOJXHW-NWCWSAAOSA-N 400.394 1.204 0 50 HDAA C[C@H]1CCC[C@@H](C)[C@]12NC(=O)N(CC(=O)N(CCC(N)=O)c1ccc(F)cc1)C2=O 247898243 YLJBLDKZZUZIKP-JORQVXCQSA-N 418.469 1.781 0 50 HDAA COc1cccc([C@@H]2C[C@H](O)CN2C(=O)CCN2C(=O)[C@H]3CCCC[C@@H]3C2=O)c1 328589406 QLFUTNLKCGQYQJ-WNHJNPCNSA-N 400.475 1.895 0 50 HDAA CN1C[C@H](C(=O)Nc2ccc(OCC(=O)N3CCOCC3)cc2)Oc2ccccc21 952984312 ZPHBBONYZPSKAA-HXUWFJFHSA-N 411.458 1.760 0 50 HDAA CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1Nc1nc(-c2ccccc2)nc2c1CCC2 1704308312 HDMNREOELCPCOB-MAUKXSAKSA-N 402.520 1.951 0 50 HDAA CC(=O)c1ccc(N2C[C@@H]3CN(C(=O)C4CCOCC4)C[C@@]3(CN(C)C)C2)nc1 1772808719 ZNOFMOHMLACEBU-DENIHFKCSA-N 400.523 1.537 0 50 HDAA O=C1[C@H](NS(=O)(=O)N2CC3CC2C3)CCN1c1cccc(OC(F)(F)F)c1 1857527507 BSQJXXOLSPHSSU-MMWSSPAHSA-N 405.398 1.619 0 50 HDAA O=C(Cc1cn2ccsc2n1)N[C@@H]1[C@H]2CC[C@@H]1CN(C(=O)C1CCOCC1)C2 1857699308 MAOASTYJMWFMQD-HWWDLCQESA-N 402.520 1.718 0 50 HDAA Cc1nc[nH]c1-c1nccn1C[C@H]1CN(CC2CCN(CC3CC3)CC2)C(=O)CO1 1857736434 PAWYKHXGUCZCAO-IBGZPJMESA-N 412.538 1.931 0 50 HDAA COc1cccnc1C(=O)N[C@H](C)[C@@H]1CN(C(=O)C2SCCCS2)CCO1 1875359416 CQDOTSISKVCHNU-OCCSQVGLSA-N 411.549 1.632 0 50 HDAA Cc1ccc(=NCCCNC(=O)[C@H]2OCC(=O)N[C@@H]2c2ccccc2Cl)[nH]c1 2356165162 WNHPPMHDZYEBPE-MOPGFXCFSA-N 402.882 1.640 0 50 HDAA COc1ccc(CCNC(=O)CN(c2ccccc2OC)S(C)(=O)=O)cc1OC 2085209 HWGUCKDNISKGTM-UHFFFAOYSA-N 422.503 1.837 0 50 HDAA biogenic O=C(N[C@H]1C[C@H]2C(=O)N[C@H](Cc3ccc(O)cc3)C(=O)N2C1)c1ccc(Cl)cc1 14748507 XJZZEHFZYSLAAT-JQHSSLGASA-N 413.861 1.486 0 50 HDAA CC(=O)N1CCCN(Cc2c(C(=O)N3C[C@H](C)O[C@H](C)C3)nc3sccn23)CC1 20536465 FSWWLRMIJXBADE-GASCZTMLSA-N 419.551 1.699 0 50 HDAA CCCCCn1c(N2CCN(Cc3ccccc3)CC2)nc2c1c(=O)[nH]c(=O)n2C 56900453 PUHPJZDSMWUOBY-UHFFFAOYSA-N 410.522 1.936 0 50 HDAA Cc1nc(CN(C)C(=O)[C@H]2[C@@H]3C=C[C@@]4(CN(Cc5cccnc5)C(=O)[C@H]24)O3)cs1 77354809 COGOACLOJOBXQR-NTLWEQJWSA-N 410.499 1.787 0 50 HDAA O=C([C@H]1CCCCN1C(=O)c1ccc(O)nn1)N1CCCN2c3ccccc3C[C@@H]2C1 427029627 JVXDFPXLMSLWOF-YLJYHZDGSA-N 421.501 1.841 0 50 HDAA Cc1cc(C)nc(-n2nc(C)cc2NC(=O)CN2CCC3(CC2)CCN(C)C3=O)n1 683675118 PUMAWRDWUYYHQN-UHFFFAOYSA-N 411.510 1.470 0 50 HDAA Cc1ccc(S(=O)(=O)NCCCNC(=O)CN2CCOc3ccccc3C2)cc1 827836801 GTJGCHVDTYYLPU-UHFFFAOYSA-N 417.531 1.674 0 50 HDAA COc1cc2c(cc1CN1C[C@@H]3CN(Cc4nccn4C)C[C@]3(CO)C1)OCO2 1772704485 IVIDDFLRCZQBQU-IERDGZPVSA-N 400.479 1.084 0 50 HDAA CC1=C(CN2C[C@H]3CN(S(=O)(=O)c4cn[nH]c4)C[C@]3(CO)C2)C(C)(C)CCC1 1772806741 KDCRVXZPRSZJID-JXFKEZNVSA-N 408.568 1.851 0 50 HDAA Cc1ccc(C(=O)NC[C@H]2CN(CC3CCN(CC4CC4)CC3)C(=O)CO2)cc1O 1857681099 YBKZBCWVUATEDR-FQEVSTJZSA-N 415.534 1.780 0 50 HDAA C[C@@H](O)CNC(=O)c1cc2c(s1)C1(CCN(c3cc[nH]c(=N)n3)CC1)OCC2 1857703659 VGWOJZRYKMPOJZ-GFCCVEGCSA-N 403.508 1.130 0 50 HDAA Cn1cc([C@H]2[C@H](CN3CCCCC3)OCCN2C(=O)CCn2ccccc2=O)cn1 1857719625 RAYGVKJBPJMIQH-UGKGYDQZSA-N 413.522 1.427 0 50 HDAA CCN(C)C(=O)[C@H]1C[C@H]2CN(C(=O)c3ccncc3)CC(=O)N2[C@H]1c1ccccc1 1857720702 GBOZZFBUGATABS-ZJOUEHCJSA-N 406.486 1.974 0 50 HDAA Cn1nc(C(F)(F)F)cc1CC(=O)N1CC[C@@H]2CN(C(=O)C(F)(F)F)C[C@H]2C1 1875330542 SIGWOZQLTCDRKU-NXEZZACHSA-N 412.334 1.851 0 50 HDAA O=C(O)c1ccc(S(=O)(=O)N2CCN(c3cccnn3)CC2)cc1C(F)(F)F 2325841040 ARSJGUPKZDEYSJ-UHFFFAOYSA-N 416.381 1.705 0 50 HDAA CN1CCC[C@@]2(CCCN2C(=O)CCCn2nnc(-c3ccc(F)cc3)n2)C1=O 2356137012 OJSAFXNHHRJLGW-HXUWFJFHSA-N 400.458 1.873 0 50 HDAA Cc1ccc(C(=O)N2CCC[C@@]3(CCc4c[nH]c(=N)nc43)C2)cc1N1CCNC1=O 2356142341 OIQVMQONAJLLMJ-JOCHJYFZSA-N 406.490 1.847 0 50 HDAA Cc1nc(=NC[C@H]2CN(CC3CCN(CC4CC4)CC3)C(=O)CO2)[nH]c(C)c1C 2356145793 IMYKWULIBGBRPC-FQEVSTJZSA-N 401.555 1.585 0 50 HDAA COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)N(C)Cc2ccccn2)cc1OC 11665285 APYMMQLWUJJJNQ-GOSISDBHSA-N 412.490 1.448 0 50 HDAA CC(C)CN1C[C@H](OCc2ccccc2F)CN(C(=O)[C@@H]2CNC(=O)C2)CC1=O 14752523 USAUWPCLKOKBAA-IRXDYDNUSA-N 405.470 1.174 0 50 HDAA COc1ccccc1/C=C/CN1CCNC(=O)[C@H]1CC(=O)N(C)Cc1cccnc1 14980043 ZXNOHOCVJPJMTN-AQDCRGGLSA-N 408.502 1.953 0 50 HDAA COc1ccc(-c2nn(C)c(=O)c3ccccc23)cc1CNC(=O)CN1CCOCC1 20267352 RJLAEWCHLUPQCM-UHFFFAOYSA-N 422.485 1.558 0 50 HDAA O=C1CN(S(=O)(=O)CCOc2ccccc2)CC(=O)N1CCOc1ccccc1 22340784 FPASLRDJYSUWCZ-UHFFFAOYSA-N 418.471 1.145 0 50 HDAA COc1cccc(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N(C)CCc3cn[nH]c3)[C@@H]4C2=O)c1 77519030 ZSCLZMSKKCSLKK-GJPOJAMWSA-N 422.485 1.401 0 50 HDAA CCc1nc(-c2c3n(c(=O)n(CC(=O)NC4CCCC4)c2=O)CCCCC3)no1 169763955 MIZGSWTWHWXWDO-UHFFFAOYSA-N 401.467 1.408 0 50 HDAA Cc1ccc(C(=O)NS(=O)(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)o1 225525996 NSSOAFBAUPXADX-UHFFFAOYSA-N 406.869 1.610 0 50 HDAA NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1S(=O)(=O)c1cc2c(cc1Cl)NC(=O)CO2 239352640 ACWDMASEMXBJKE-BIMULSAOSA-N 413.883 1.478 0 50 HDAA CCOc1ccc(-c2cc(C(=O)N3CCc4nn(CCOC)c(=O)cc4C3)[nH]n2)cc1 263616521 JECCSFAHASJVJL-UHFFFAOYSA-N 423.473 1.877 0 50 HDAA COc1ccc([C@@H]2Cn3nnc(C(=O)N4CCN(c5ncccn5)CC4)c3CO2)cc1 263619332 YEKSUDFQAWNZCE-SFHVURJKSA-N 421.461 1.311 0 50 HDAA Cc1cc(=NC(=O)c2cccc(Nc3ncccn3)c2)n([C@@H]2CCS(=O)(=O)C2)[nH]1 334159286 SYIPMGWQIHXQOT-MRXNPFEDSA-N 412.475 1.759 0 50 HDAA NS(=O)(=O)c1ccc(CNC(=O)[C@H](Sc2cnn[nH]2)c2ccccc2)cc1 334160579 HWAUZTJOBUJVAR-MRXNPFEDSA-N 403.489 1.602 0 50 HDAA Cc1nc(C2CCN(C(=O)C[C@H]3C(=O)NCCN3Cc3ccc(C)o3)CC2)n[nH]1 426661960 FYXFMKXEJYXVAG-KRWDZBQOSA-N 400.483 1.111 0 50 HDAA NC(=O)CC[C@@H]1CCCN(c2c(F)cc(S(N)(=O)=O)cc2Br)C1 428125847 QSZODFJCSJRWDV-VIFPVBQESA-N 408.293 1.718 0 50 HDAA CCc1nccn1CCCNS(=O)(=O)c1ccc(NS(=O)(=O)N(C)C)cc1 670467204 ONLIAUYLDBGYGD-UHFFFAOYSA-N 415.541 1.032 0 50 HDAA CNc1ncccc1C(=O)N1C[C@@H]2CN(CCn3cc(Cl)cn3)C[C@@]2(CO)C1 1772711060 VQIHXXLVMYGCRE-LIRRHRJNSA-N 404.902 1.040 0 50 HDAA CCN(CC)S(=O)(=O)c1cc(C)c(C)c(NC(=O)Cn2nc(C)n(CC)c2=O)c1 1875359558 JAYSXNSCMAAZDP-UHFFFAOYSA-N 423.539 1.659 0 50 HDAA CS(=O)(=O)N(CC(=O)N1CCOCC1)c1ccc(Cl)c(C(F)(F)F)c1 654131 SPUHYGVIFZFPBF-UHFFFAOYSA-N 400.806 1.984 0 50 HDAA COc1ccc(OC)c(S(=O)(=O)N2CCC(C(=O)NCc3cccnc3)CC2)c1 667592 DHIURUPMLNGTLF-UHFFFAOYSA-N 419.503 1.816 0 50 HDAA Cc1cc(C)n(CCCNC(=O)[C@H]2CCCN(S(=O)(=O)c3cnn(C)c3C)C2)n1 2732561 ZVJHDBFYVRRZKV-KRWDZBQOSA-N 422.555 1.149 0 50 HDAA CN(Cc1n[nH]c(=O)[nH]1)Cc1ccccc1OC[C@@H](O)CN1CCc2ccccc2C1 11814883 YRNHSJPOHBKAHI-FQEVSTJZSA-N 423.517 1.528 0 50 HDAA O=C1CCCN1C[C@@H]1CCCN(c2nc3nonc3nc2N2CCSCC2)C1 11817584 HAFXVCIPUUQQAE-ZDUSSCGKSA-N 403.512 1.405 0 50 HDAA CCOC(=O)CCNC(=O)N1CCC[C@@H](CNS(=O)(=O)Cc2ccccc2)C1 12315606 LUDRVQYVYLUTJG-KRWDZBQOSA-N 411.524 1.481 0 50 HDAA CCN(CCn1cccn1)Cc1cnc(S(=O)(=O)CC2CC2)n1C[C@@H]1CCCO1 20204948 RHQIDGHCPLXZFW-IBGZPJMESA-N 421.567 1.964 0 50 HDAA CCCN1CCC(N2C[C@H](NCc3ccccc3)C[C@H]2C(=O)NCCOC)CC1 20998186 CCEVFCNGTSSSIP-IRLDBZIGSA-N 402.583 1.856 0 50 HDAA Cc1cccc(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N(C)Cc3cc(C)[nH]n3)[C@H]4C2=O)c1 77541788 BHALVZDTOPSGON-SRYPRDQNSA-N 406.486 1.967 0 50 HDAA COCCN(CCOC)S(=O)(=O)N(C[C@@H](O)CC(C)(C)C)C1CCN(C)CC1 225829009 QHPSCFJWSVSKDJ-SFHVURJKSA-N 423.620 1.019 0 50 HDAA O=S1(=O)CCC[C@H](CS(=O)(=O)N2CCC(OCc3ccccc3)CC2)C1 240668105 HMJNOTZELGFZCD-KRWDZBQOSA-N 401.550 1.822 0 50 HDAA O=c1c2c(CO)c(-c3ccccc3)nn2ccn1Cc1nc(-c2cnccn2)no1 263615970 GIKIKMXMFLYTRH-UHFFFAOYSA-N 401.386 1.544 0 50 HDAA C[C@]1(O)CCOC2(CCN(C(=O)CN(c3cccc(F)c3)S(C)(=O)=O)CC2)C1 1704298017 CWMWESWQLUDGJM-SFHVURJKSA-N 414.499 1.514 0 50 HDAA CS(=O)(=O)C1(CNC(=O)N2CCC3(CC2)Cc2ccccc2NC3=O)CCC1 1875316688 AVRFLUMDIIVXCO-UHFFFAOYSA-N 405.520 1.940 0 50 HDAA COc1c(C(=O)N2[C@H]3CCC[C@@H](NC(=O)c4nc[nH]c5ncnc4-5)[C@H]2CC3)cnn1C 1875317358 VSWBIHJDQBIIIV-IACUBPJLSA-N 424.465 1.002 0 50 HDAA COC(=O)Cc1ccc(NC(=S)NCCc2ccc(S(N)(=O)=O)cc2)cc1 2191046 DBYFKSAJSZINGU-UHFFFAOYSA-N 407.517 1.579 0 50 HDAA O=C(O)[C@@H](NS(=O)(=O)c1ccc(Br)cc1)[C@@H](O)c1ccccc1 5009971 QIFVJBIKOKRULH-KBPBESRZSA-N 400.250 1.914 0 50 HDAA CCOC(=O)Cn1c(=O)c2c(nc3n([C@H](C)c4ccccc4)c(C)cn23)n(C)c1=O 10233495 LLWMBNJOXLBSJS-CQSZACIVSA-N 409.446 1.630 0 50 HDAA COc1cc(C)c(CN2CCC[C@@H](n3cc(C(=O)NCCCO)nn3)C2)cc1C 12281282 IVGGMYMPTBPXRU-GOSISDBHSA-N 401.511 1.853 0 50 HDAA Cc1cc(C)n(CCN(C)C(=O)[C@@H]2CCC(=O)N(CCCN3CCCC3=O)C2)n1 12431178 BFADJBSFGFOCAG-GOSISDBHSA-N 403.527 1.209 0 50 HDAA Cc1ccc(F)cc1NC(=O)N[C@H]1C[C@H]2C(=O)N[C@H](Cc3ccccc3)C(=O)N2C1 14532078 VNCWUADAZQKNNZ-UHOSZYNNSA-N 410.449 1.966 0 50 HDAA O=C1CN(C(=O)c2ccoc2)C[C@H](OCc2cccnc2)CN1CC1CCOCC1 14539357 WZEJKIAVHJWIPJ-HXUWFJFHSA-N 413.474 1.971 0 50 HDAA COc1cccc(CO[C@H]2CN(C(=O)Cn3cncn3)CC(=O)N(CC(C)C)C2)c1 14747495 UGSCCGUNTLULIH-LJQANCHMSA-N 415.494 1.199 0 50 HDAA CC(C)S(=O)(=O)c1ncc(CN2CCN(C=O)CC2)n1CCc1ccccc1 19774473 QMHGGGKHQQGIEF-UHFFFAOYSA-N 404.536 1.582 0 50 HDAA O=C(Cc1c[nH]c2ccccc12)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 38528053 GRFPFEPRZCDIJL-UHFFFAOYSA-N 406.490 1.686 0 50 HDAA O=C([C@@H]1CCCN(C2CCN(S(=O)(=O)c3cccnc3)CC2)C1)N1CCCC1 71746531 HYLGUISYNLKTMI-QGZVFWFLSA-N 406.552 1.569 0 50 HDAA C[C@@H](O)CCNS(=O)(=O)c1ccc2c(c1)CN(C(=O)c1ncoc1C1CC1)CC2 77284597 YANJSOAERADHIY-CYBMUJFWSA-N 419.503 1.800 0 50 HDAA O=C(CN1C(=O)NC2(CCC3(CC2)OCCO3)C1=O)N[C@@H](c1ccccc1)C1CC1 225491354 YFVSSWKHWFFNBX-SFHVURJKSA-N 413.474 1.862 0 50 HDAA CCOC(=O)c1cnc(SCC(=O)NC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)nc1N 252457322 YVNMILVMRNDDDJ-DMDPSCGWSA-N 409.512 1.978 0 50 HDAA CCN(C)C(=O)CN1CCC(N2C[C@@H](COc3ccc(F)cc3)OCC2=O)CC1 299794283 INQHQQKOVYPKIU-IBGZPJMESA-N 407.486 1.375 0 50 HDAA Cc1cc(NC(=O)[C@H](C)N2CCC[C@@H](c3n[nH]cc3C(=O)N3CCOCC3)C2)on1 328602977 DNVGPUYFELMBTK-LSDHHAIUSA-N 416.482 1.385 0 50 HDAA O=c1cc(N2CCC(O)CC2)cnn1[C@H]1CCCN(Cc2cnn3ccccc23)C1 328607757 WYQAKOLMLQBEBV-SFHVURJKSA-N 408.506 1.689 0 50 HDAA Cc1nc(C)c(C(=O)Nc2ccc(S(=O)(=O)N3C[C@@H]4C[C@H]5C[C@H]4[C@H]3[C@H]5O)cc2)o1 408521177 KQZIFDDRZUJNTE-JQJKNKOQSA-N 417.487 1.934 0 50 HDAA O=C(C1CCCC1)N1CCC(C(=O)N2CCC(N3CCN(CCO)CC3)CC2)CC1 952864112 YBNPHHRXKNYOMZ-UHFFFAOYSA-N 420.598 1.016 0 50 HDAA Cc1nnc(CCNC(=O)[C@@H]2[C@@H]3C=C[C@@]4(CN(Cc5ccccc5)C(=O)[C@H]24)O3)s1 1565526065 JACZJOPJCWQXJD-DKXUYOFUSA-N 410.499 1.487 0 50 HDAA Cc1[nH]nc(CN2C[C@H]3CN(C(=O)COCc4ccccc4)C[C@]3(CO)C2)c1Cl 1772814792 BMAMZVOKHVDGQK-UWJYYQICSA-N 418.925 1.841 0 50 HDAA Cc1noc(C)c1CN1C[C@@H]2COC[C@]2(C(=O)NCCCc2csc(=N)[nH]2)C1 1857689443 PVLLFMNZMUVTFK-AUUYWEPGSA-N 405.524 1.358 0 50 HDAA COC(=O)Cn1c(=O)c(CN2CC[C@H](CO)[C@@H](O)C2)cc2ccc(SC)cc21 1857718462 VCWRPOSVSBVIRX-KDOFPFPSSA-N 406.504 1.072 0 50 HDAA CCN=c1[nH]c(C(=O)N2CCOC[C@@]3(COCCN3Cc3ccccc3)C2)cs1 1875318165 OEVHIVXWYJCXBR-OAQYLSRUSA-N 416.547 1.740 0 50 HDAA CCc1[nH]nc(C(=O)N2CCC[C@@H]3[C@H]2CCN3C(=O)CCCc2cnn[nH]2)c1Cl 1875321926 BAKDXUXOQGMVCH-HUUCEWRRSA-N 419.917 1.972 0 50 HDAA CNC(=O)c1cc(NC(=O)C(=O)N[C@@H]2c3ccccc3C[C@H]2C)cc(C(=O)NC)c1 2325872992 UQTGUOFGALVPRD-XIKOKIGWSA-N 408.458 1.394 0 50 HDAA CCc1nc(SCC(=O)Nc2ccc(F)cc2)c2c(=O)n(C)c(=O)n(C)c2n1 4138910 BMZRDAJZZXEGRM-UHFFFAOYSA-N 403.439 1.460 0 50 HDAA NC(=O)c1nn(-c2ccccc2)nc1NC(=O)CN1CCN(c2ccc(F)cc2)CC1 12377162 BWZMYFNIADUJQD-UHFFFAOYSA-N 423.452 1.266 0 50 HDAA CNC(=O)c1cc(S(=O)(=O)N2CCN(c3ccccc3F)CC2)ccc1OC 16651309 PDJIOSNTMARKJS-UHFFFAOYSA-N 407.467 1.705 0 50 HDAA O=C(CCCn1nnnc1CN1CCOCC1)N(CC1CCC1)C[C@H]1CCCO1 19731283 BHKKPVRUFVTEFC-GOSISDBHSA-N 406.531 1.093 0 50 HDAA O=C(NCCc1cnccn1)[C@@H]1CCCN(C2CCN(Cc3ccncc3)CC2)C1 82108416 OKXQJTBHZFZVGM-HXUWFJFHSA-N 408.550 1.907 0 50 HDAA O=C(NCc1ccccn1)[C@@H]1CCCN(C2CCN(C(=O)c3cnccn3)CC2)C1 82155698 REEYTYWEOIBRID-QGZVFWFLSA-N 408.506 1.505 0 50 HDAA Cc1ccc2c(c1)N(CC(=O)c1c(N)n(CC(C)C)c(=O)n(C)c1=O)C[C@@H](C)O2 253428407 CXSWEXYWUVNJJM-CQSZACIVSA-N 400.479 1.564 0 50 HDAA O=C(Cn1cccn1)N1CCC(N2C[C@H](COc3ccc(F)cc3)OCC2=O)CC1 1857675480 AGUFRLAETMISQU-LJQANCHMSA-N 416.453 1.320 0 50 HDAA O=C1C[C@H]2[C@H](CCN2C(=O)c2cccc(-n3cnnc3)c2)N1CCc1cscn1 1857688059 REVAIQSYIZVKFD-ROUUACIJSA-N 408.487 1.782 0 50 HDAA COc1ccc(C(=O)O)nc1N1C[C@@H]2[C@H](CNC(=O)CC(C)C)[C@H]3CC[C@]2(C1)O3 1875246874 DDKSMZQUIQSHOW-RWYMCCIASA-N 403.479 1.935 0 50 HDAA CCN1C[C@H](C(=O)N2CCCC[C@@H](NC(=O)c3ccc(C(C)=O)[nH]3)C2)CCC1=O 2325864518 QWIAGLWULFBYNM-HZPDHXFCSA-N 402.495 1.587 0 50 HDAA CCn1ncc(NC(=O)Cn2nc(C(F)(F)F)c(Br)c2C)c1C(N)=O 2781266 ZVRXJALROZEONU-UHFFFAOYSA-N 423.193 1.927 0 50 HDAA C[C@H](O)[C@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)OCc1ccccc1 4829515 WMHMDYZXLLZIMG-KXBFYZLASA-N 400.431 1.522 0 50 HDAA COc1cc(C)c(CN2CCC(n3cc(C(=O)NCCCO)nn3)CC2)cc1C 14957654 PQIXGHVBKMHFMH-UHFFFAOYSA-N 401.511 1.853 0 50 HDAA COC(=O)c1ccc(N2C(=O)C[C@H](NCCc3ccc(OC)c(OC)c3)C2=O)cc1 18106022 YNHSAGSGYLYVJR-KRWDZBQOSA-N 412.442 1.955 0 50 HDAA O=S(=O)(c1ccc(Cl)cc1)N1CCN(c2cc(-n3cccn3)ncn2)CC1 65363113 XDPRWVILEMMTHK-UHFFFAOYSA-N 404.883 1.827 0 50 HDAA CC(C)(C)NC(=O)CN1CCC(N2CCC[C@H](C(=O)NCc3ccccn3)C2)CC1 82093616 LAIFVMOPUAERPS-SFHVURJKSA-N 415.582 1.789 0 50 HDAA Cc1nc(-c2c3n(c(=O)n(CC(=O)Nc4ccccc4Cl)c2=O)CCCC3)no1 169763886 IYCHCTHTCGBQHT-UHFFFAOYSA-N 415.837 1.997 0 50 HDAA O=C1NC[C@H]2[C@@H]1CCCN2C(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1 170608574 UKVBTWMVHVBUMD-ROUUACIJSA-N 405.520 1.602 0 50 HDAA CCCOc1ccc([C@@H]2[C@H](C(=O)OC)C(=O)C[C@](C)(O)[C@H]2C(=O)OC)cc1OC 239173856 OVBSUKWMFCUTJV-IKVWTGGYSA-N 408.447 1.870 0 50 HDAA COc1ccc(F)cc1S(=O)(=O)N1CCC[C@H](C(=O)NC[C@H]2CCCO2)C1 244858647 VPJHHJSYKGVNRT-DZGCQCFKSA-N 400.472 1.530 0 50 HDAA O=C(CC[C@H]1N=C(O)N(c2ccccc2)C1=O)NCCn1cnc2ccccc2c1=O 252495735 OYJKRCLREIIDFF-GOSISDBHSA-N 419.441 1.622 0 50 HDAA COCCn1cc([C@H]2[C@H](CNC(=O)c3cc(C)no3)CC(=O)N2C(C)(C)C)cn1 328605201 MJUJJSVICHXAFY-KBXCAEBGSA-N 403.483 1.944 0 50 HDAA COC(=O)c1c(F)ccc(S(=O)(=O)N2CSC[C@H]2C(=O)NC(C)(C)C)c1F 746404007 RHSIKLHHVFXDFB-JTQLQIEISA-N 422.475 1.730 0 50 HDAA O=C(O)C1CCN(S(=O)(=O)N(CCO)CC23CC4CC(CC(C4)C2)C3)CC1 1506399721 CLCREKNLCQMFRX-UHFFFAOYSA-N 400.541 1.539 0 50 HDAA COc1cc(OC)nc(N2CCCN(C(=O)CCc3c(C)nn(C)c3C)CC2)n1 1775977868 MXIUKAGHPSWTQA-UHFFFAOYSA-N 402.499 1.516 0 50 HDAA CN1CCC[C@@]2(C(=O)NCc3nnc4n3CCC4)CCN(C(=O)c3ccoc3)C[C@H]12 1775978699 UXRIOZJRLBRVIN-HRAATJIYSA-N 412.494 1.060 0 50 HDAA CC(C)CNC(=O)CN1C[C@@H]2[C@H](CNC(=O)CCC(F)(F)F)[C@H]3CC[C@]2(C1)O3 1857730584 WSGLIAWYRJPJAE-LUXYFRNMSA-N 405.461 1.697 0 50 HDAA O=C(c1cc2c(nc1O)CCC2)N1CC[C@H](O)[C@@](CO)(Cc2ccc(F)cc2)C1 1857736384 RIIWIPFHBQYWJJ-UGKGYDQZSA-N 400.450 1.843 0 50 HDAA N=c1ccnc(N2CCO[C@@]3(C[C@@H]4CC[C@H](C3)N4C(=O)CCc3ccncc3)C2)[nH]1 1875242592 VPXIZTWVDQIBHU-OEWRPIJISA-N 408.506 1.646 0 50 HDAA O=C(NC[C@@H]1CC(F)(F)CN1C(=O)c1cc(O)ccc1F)c1csc(O)n1 1875331156 RSTOPUHVYVNDGF-QMMMGPOBSA-N 401.366 1.973 0 50 HDAA C=CC(=O)N1CCC[C@@H](C(=O)N(C)CC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)C1 1875371522 DPFZJQXYNBGWQE-JKSUJKDBSA-N 412.490 1.633 0 50 HDAA O=C1CC[C@@H](N2Cc3ccc(CNC(=O)Nc4cccc(F)c4)cc3C2=O)C(=O)N1 2325887003 PZXXKFTVWDIVNN-QGZVFWFLSA-N 410.405 1.908 0 50 HDAA Cc1cn2ccc(C(=O)Nc3ccc4c(c3)C(=O)N([C@H]3CCC(=O)NC3=O)C4)cc2n1 2325895775 JIOVAKIQLLOLFD-KRWDZBQOSA-N 417.425 1.656 0 50 HDAA O=C(c1cc(O)nc(O)n1)N1CC[C@H]([C@H]2CCCN2C(=O)c2c[nH]c3nccc-3c2)C1 2332239548 ISDXWLSPAAMYOT-XJKSGUPXSA-N 422.445 1.483 0 50 HDAA CCN1CCN(C(=O)c2ccc(N3CCC(NCc4cnn(C)c4)CC3)cc2)CC1 11913702 HDMXJKDJKCJZFB-UHFFFAOYSA-N 410.566 1.956 0 50 HDAA COCC(=O)N1CCC(Oc2ccc(C(=O)NCCCn3cccn3)cc2)CC1 12714701 KDJUDYGBJMSDQP-UHFFFAOYSA-N 400.479 1.719 0 50 HDAA Cc1cnc(C)c(N2CCN(C(=O)C[C@@H]3C(=O)NCCN3Cc3ccccc3)CC2)n1 12751399 PEIFNBDQBFBAKG-HXUWFJFHSA-N 422.533 1.133 0 50 HDAA CCCn1nc(C(=O)N2CCN(C)CC2)c2c1CC[C@H](NCC1(O)CCCCC1)C2 14534374 BFHXWZZHLXEJHR-SFHVURJKSA-N 417.598 1.823 0 50 HDAA O=C1N[C@H](Cc2ccccc2)C(=O)N2CCN(Cc3ccc4ncccc4c3)C[C@H]12 14746919 QJRWMLIJTNANAW-FGZHOGPDSA-N 400.482 1.989 0 50 HDAA COc1ccc(S(=O)(=O)N2CCN(CC(=O)N[C@H](C)c3ccccc3)CC2)cc1 35889351 NOKYPQCCWPYXPL-QGZVFWFLSA-N 417.531 1.879 0 50 HDAA CN(Cc1nc(-c2ccccc2)no1)C(=O)C1CCN(S(=O)(=O)N(C)C)CC1 67604764 GGMNOWAPIADXNH-UHFFFAOYSA-N 407.496 1.213 0 50 HDAA Cc1cccc(C(=O)N2CCC(N3CCC[C@H](C(=O)N4CCOCC4)C3)CC2)n1 71747059 QAORFJRYRKBPCG-SFHVURJKSA-N 400.523 1.565 0 50 HDAA COc1cc(OC)nc(N2CCC(N3CCC[C@@H](C(=O)N4CCCC4)C3)CC2)n1 71775955 CJIGFFZDHDAAMW-MRXNPFEDSA-N 403.527 1.797 0 50 HDAA Cc1cc(F)ccc1N1C[C@]23C=C[C@H](O2)[C@@H](C(=O)N2CCN(C(C)C)CC2)[C@@H]3C1=O 77343920 LSWXUZOQJOSWKP-VAWZGJIGSA-N 413.493 1.973 0 50 HDAA COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)C[C@@H](C)n1cccn1)CC2 95522628 IVNAHINXBQEESM-OAHLLOKOSA-N 400.483 1.106 0 50 HDAA CC1CCN(S(=O)(=O)c2ccc(NC(=O)[C@H]3[C@H](C(=O)O)[C@H]4CC[C@H]3O4)cc2)CC1 138976736 FJSCWNGBMHLTEO-BRSBDYLESA-N 422.503 1.924 0 50 HDAA CCc1nc(-c2c3n(c(=O)n(CC(=O)NCc4ccccc4)c2=O)CCCC3)no1 169763923 YCFOJMVEWWYSSY-UHFFFAOYSA-N 409.446 1.275 0 50 HDAA Cc1cc(C(=O)COC(=O)c2ccc(N(C)C)cn2)c(C)n1[C@@H]1CCS(=O)(=O)C1 170595950 VPCSXNDQOMMAMO-MRXNPFEDSA-N 419.503 1.965 0 50 HDAA CN1CCC(N(C)C[C@H](NC(=O)N[C@H]2CCS(=O)(=O)C2)c2ccccc2)CC1 241897322 TXRNBNBHXZNNLE-HKUYNNGSSA-N 408.568 1.240 0 50 HDAA CN(C[C@@H]1CCCN2CCCC[C@@H]12)C(=O)C[C@@H]1NC(=O)N(Cc2ccco2)C1=O 409413881 FUCAKXSWTSBMKR-SZMVWBNQSA-N 402.495 1.813 0 50 HDAA CCCc1nc(C(=O)NCC2CCN(C(=O)Cn3cccnc3=O)CC2)cs1 823023375 ZOCLXVGYHLNOGD-UHFFFAOYSA-N 403.508 1.321 0 50 HDAA O=C1COc2ccc(S(=O)(=O)N3CCC[C@H](OCc4ccccn4)C3)cc2N1 952966485 WTTLPAACTDKIDR-HNNXBMFYSA-N 403.460 1.782 0 50 HDAA Cc1nnc(SCC(=O)NC2CCN(S(=O)(=O)c3ccccc3)CC2)s1 1176928764 MSFGGZPSIYESNM-UHFFFAOYSA-N 412.562 1.908 0 50 HDAA Cc1ccc(C(=O)NC[C@@H]2CN(CC3CCN(CC4CC4)CC3)C(=O)CO2)cc1O 1857681100 YBKZBCWVUATEDR-HXUWFJFHSA-N 415.534 1.780 0 50 HDAA Cc1cccnc1CN1CCN(C[C@]2(O)CCCN(C(=O)C3CCOCC3)C2)CC1 1857740243 JXUMMQDGPRYIMO-HSZRJFAPSA-N 416.566 1.288 0 50 HDAA C=CC(=O)N1CCC(C(=O)N2CCN(c3nnc(C(F)(F)F)s3)CC2)CC1 1875365424 HQVFYBFMYDZTSS-UHFFFAOYSA-N 403.430 1.630 0 50 HDAA CCn1cc(CNCc2ccc(OC[C@H](O)CN3CCSCC3)c(OC)c2)cn1 11813446 RHIFZISYZWLNNB-LJQANCHMSA-N 420.579 1.990 0 50 HDAA CCOC(=O)N1CCN(C(=O)[C@H]2CCC(=O)N(Cc3ccccc3OC)C2)CC1 11842373 XINHXGKHWHZRAX-KRWDZBQOSA-N 403.479 1.735 0 50 HDAA COCCN1C(=O)C[C@@](CC(=O)N2CCC[C@@H](OC)C2)(c2ccccc2OC)C1=O 11971090 POSOAJKILKXAEI-ZHRRBRCNSA-N 418.490 1.366 0 50 HDAA CS(=O)(=O)c1ncc(CN2CCC(N3CCCCC3)CC2)n1C[C@@H]1CCCO1 12302271 QISKIPVHVHSVDU-IBGZPJMESA-N 410.584 1.916 0 50 HDAA COc1cccc(CNC(=O)CC[C@@H]2CCCN(C(=O)CN3CCCC3=O)C2)c1 14952655 QJFNYKYNDODKFF-KRWDZBQOSA-N 401.507 1.953 0 50 HDAA CCOc1ccccc1CN1CCNC(=O)[C@H]1CC(=O)NCc1nc(C)cs1 14974981 GTKMJAOWCADRQE-MRXNPFEDSA-N 402.520 1.857 0 50 HDAA Cc1nc(N2CCN(C)CC2)cc(N2CCN(C(=O)c3ccc(F)cc3F)CC2)n1 72441856 AERUBZYFSHSWJF-UHFFFAOYSA-N 416.476 1.777 0 50 HDAA Cc1nc2ccccc2c(=O)n1CC(=O)NCc1cccnc1N1CCN(C)CC1 242047976 VRSPBJZBQPDKQO-UHFFFAOYSA-N 406.490 1.168 0 50 HDAA Cc1nc(C)c(C(=O)Nc2cccc(S(=O)(=O)N3C[C@@H]4C[C@H]5C[C@H]4[C@H]3[C@@H]5O)c2)o1 408521032 FXNKPYYGUHIJPK-RGYORQFESA-N 417.487 1.934 0 50 HDAA COc1ccc(C(=O)NC[C@@H]2CCCN(C(=O)CSc3nncn3C)C2)cc1 952968810 QDTPLQNNMSFZJW-AWEZNQCLSA-N 403.508 1.584 0 50 HDAA NC(=O)[C@H]1CCCN(c2ccc(C(=O)N3CCC(N4CCCNC4=O)CC3)cc2)C1 1324282526 VYJYGIZIJVYMBF-KRWDZBQOSA-N 413.522 1.408 0 50 HDAA CN(CC(N)=O)C(=O)c1cccc(NC(=O)c2ccc3nnc(C(F)F)n3c2)c1 1346055744 DHURCFVQJYCLAT-UHFFFAOYSA-N 402.361 1.477 0 50 HDAA O=C(CCSc1ccc2c(c1)OCCO2)N1C[C@@H](O)[C@H](Cc2cnccn2)C1 1857717826 AFQQWERITWUCSN-RHSMWYFYSA-N 401.488 1.792 0 50 HDAA O=C(c1cccc(-n2cnnc2)n1)N1C[C@H](O)[C@H](Cc2ccnc3ccccc23)C1 1857733003 QGOSUVINSAJLIC-UZLBHIALSA-N 400.442 1.886 0 50 HDAA COCCC[C@@]1(CO)CN(C(=O)Cc2ccc(NC(=O)C3CC3)cc2)CC[C@H]1O 1857738857 BNOCHCAFLCBPOV-KNQAVFIVSA-N 404.507 1.576 0 50 HDAA C=CC(=O)N1CCC(C(=O)N2CCN(C(=O)c3ccc(OC)cc3OC)CC2)CC1 1875370373 MKYKMZRIGZCDFO-UHFFFAOYSA-N 415.490 1.413 0 50 HDAA CN(CCN(C)C(=O)[C@@]12CCC[C@@H]1C2)C[C@@](C)(O)c1ccc(S(C)(=O)=O)cc1 2325794363 ZPUZDXTXXLRHHN-DUXKGJEZSA-N 408.564 1.878 0 50 HDAA CC[C@@H](CNC(=O)[C@@]1(C)CCCCNC1=O)NC(=O)c1nnc(C(C)(C)C)s1 2325823879 HBIDBMCKYSGJET-BUXKBTBVSA-N 409.556 1.767 0 50 HDAA O=C1NCCN(c2nc3ccccc3c(=NCc3ccccc3)[nH]2)C12CCNCC2 2325866689 WNACJBDQEOWNMP-UHFFFAOYSA-N 402.502 1.722 0 50 HDAA CCN(CCC(=O)Nc1ccc(C(N)=O)cc1)C(=O)C1CC2(C1)[C@@H](C(=O)O)C2(F)F 2325878318 KXNHMAPPJFUGIN-WXYZLBAPSA-N 423.416 1.709 0 50 HDAA CCN1CCN(C(=S)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)CC1 5940405 SHYPRKODTVMLGG-UHFFFAOYSA-N 406.537 1.612 0 50 HDAA COc1ccc(OC)c(C(=O)NCCn2cc(C(=O)N(C)Cc3ccccc3)nn2)c1 12159339 WEIITYPJGZEWMN-UHFFFAOYSA-N 423.473 1.998 0 50 HDAA Cc1noc(C)c1S(=O)(=O)N1CCCC[C@H]1CCn1cc(C(=O)NC(C)C)nn1 14880712 PGBRMAZFLSAYBL-HNNXBMFYSA-N 424.527 1.655 0 50 HDAA CN1CCN(S(=O)(=O)Cc2ccc(C(=O)NCCCc3ccco3)cc2)CC1 67604891 RFYPXCCACYNEDC-UHFFFAOYSA-N 405.520 1.719 0 50 HDAA Cc1cc(N2CCOCC2)nc(N2CCN(C(=O)c3ccc(F)cc3F)CC2)n1 72434316 BJSMWSREFLVUSV-UHFFFAOYSA-N 403.433 1.862 0 50 HDAA Cc1ccc(CCN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N(C)Cc3ncc[nH]3)[C@@H]4C2=O)cc1 77408148 YLACGKGPCXLYEI-YPIYEQTHSA-N 406.486 1.701 0 50 HDAA O=C(c1cscn1)N1CCc2cc(S(=O)(=O)NC[C@H]3CCCO3)ccc2C1 77505006 YGJFJJWNPJRAQW-OAHLLOKOSA-N 407.517 1.799 0 50 HDAA O=C1N[C@H](Cc2cnc[nH]2)C(=O)N2CCN(C(=O)c3cc(Cl)cc(Cl)c3)C[C@@H]12 215719431 WBXPBEJLUIVHSG-CABCVRRESA-N 422.272 1.111 0 50 HDAA CCN(CC)C(=O)c1cn([C@H]2CC[C@@H](NS(=O)(=O)c3c(C)noc3C)CC2)nn1 244884430 YMKFZTYAZOYMSA-GASCZTMLSA-N 424.527 1.827 0 50 HDAA CC[C@@H](CO)N1CCN(S(=O)(=O)c2cccc(C(=O)Nc3nccs3)c2)CC1 408525270 SYXFKKVFVVGOTK-HNNXBMFYSA-N 424.548 1.473 0 50 HDAA Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1NC(=O)Cn1ncc2ccccc2c1=O 1529162375 ZEIXSRLFDSGDPH-OAHLLOKOSA-N 415.475 1.208 0 50 HDAA Cc1nn(C)c(C(=O)NC[C@H]2CN(CC3CCN(CC4CC4)CC3)C(=O)CO2)c1C 1857678621 PVFKUQRYAYUQQW-IBGZPJMESA-N 417.554 1.116 0 50 HDAA COc1ccc([C@@H]2[C@H](C(=O)NC3CCN(C)CC3)C[C@@H]3CN(C)CC(=O)N23)cc1 1857696401 YRSPEYKVVSCCID-YFVAEKQCSA-N 400.523 1.109 0 50 HDAA CCOCc1nnc(N2C[C@@H](C(=O)NCCCc3c(C)noc3C)CC2=O)s1 1857716501 BAQQKBHICJATME-ZDUSSCGKSA-N 407.496 1.781 0 50 HDAA CNCc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(C)=O)c2ccccc2)cc1 2325869589 VEDOBDPFKZDZEN-VXKWHMMOSA-N 422.529 1.891 0 50 HDAA CCC[C@@H](C(=O)N[C@@H]1Cc2ccccc2[C@H]1NC(=O)c1csc(CO)n1)N(C)C 2325872419 XDLBNZRAIWVVII-HHXXYDBFSA-N 416.547 1.878 0 50 HDAA CC[C@@H](C)[C@H](C(=O)N[C@H]1CCN(c2cc(=O)n(C)c(O)n2)C1)n1cccc1C=O 2325899601 NIXDKJNYWCSAQQ-QWQRMKEZSA-N 401.467 1.082 0 50 HDAA COC(=O)c1sccc1NC(=O)CSc1nnnn1-c1ccc2c(c1)OCO2 2866189 PSYJGUWNWOWKQB-UHFFFAOYSA-N 419.444 1.970 0 50 HDAA CCn1c(CC(=O)Nc2ccc(C)cc2)nnc1SCC(=O)N1CCOCC1 4843011 YJLGUKILSTXCFA-UHFFFAOYSA-N 403.508 1.739 0 50 HDAA COCCCn1c(CN2CCC(N3CCSCC3)CC2)cnc1S(C)(=O)=O 11934199 NUEZEWSKWSAEQP-UHFFFAOYSA-N 416.613 1.336 0 50 HDAA COc1cc(C(=O)NCCN2CCCC[C@@H]2CO)ccc1OC1CCN(C)CC1 12439225 XLFKKGHMTCMRBW-GOSISDBHSA-N 405.539 1.745 0 50 HDAA NC(=O)c1ccccc1NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2)CC1 30848047 WRKCRSYHSAJBBF-UHFFFAOYSA-N 401.488 1.966 0 50 HDAA COc1cccc(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N(C)Cc3ccncn3)[C@H]4C2=O)c1 77337320 UCQDMSNXCIHCSN-SRYPRDQNSA-N 420.469 1.426 0 50 HDAA O=C(C[C@H]1COCCN1)N1CCC2(CCC(=O)N(CCc3ccccn3)C2)CC1 95368322 MCKSORTYGKSUKV-IBGZPJMESA-N 400.523 1.234 0 50 HDAA COc1ccc(C(=O)N2CCC(c3n[nH]c(=O)n3-c3ccccc3)CC2)c(OC)n1 169779714 NZYQGFKNNPMIQU-UHFFFAOYSA-N 409.446 1.993 0 50 HDAA CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCCC(=O)Nc1ccc2oc(=O)[nH]c2c1 170595315 OJQOJEADDLHKPH-CQSZACIVSA-N 418.450 1.965 0 50 HDAA CC(C)[C@H](CO)NC(=O)CC[C@H]1N=C(O)N(CCc2c[nH]c3ccccc23)C1=O 252532893 FKVCFYQWTGZITK-MSOLQXFVSA-N 400.479 1.749 0 50 HDAA COC(=O)c1cn(-c2ccc3c(c2)nc(C(F)(F)F)n3CCO)cc2c(=O)[nH]nc1-2 253415186 ZXWQPYVWTGTVPW-UHFFFAOYSA-N 421.335 1.813 0 50 HDAA Cc1nc(N2CCC[C@@H](C(=O)N(C)CCO)C2)nc2cc(S(C)(=O)=O)ccc12 299757406 JEYGWHCNKHELIB-CQSZACIVSA-N 406.508 1.009 0 50 HDAA O=C(Nc1cnc2c(c1)COCC2)[C@H]1CN(Cc2nc(O)c3ccccc3n2)CCO1 679120565 GVODUTAFMICDPK-LJQANCHMSA-N 421.457 1.643 0 50 HDAA O=C(NCC1CCN(C(=O)c2ccc3nn[nH]c3c2)CC1)c1cc(C(F)F)[nH]n1 952868963 JKCGUJAGMFMHSY-UHFFFAOYSA-N 403.393 1.901 0 50 HDAA COc1ccc(CNCC2CCN(C(C)=O)CC2)cc1OCCN1CCOCC1 952981461 ZENKTIRXTPGPLG-UHFFFAOYSA-N 405.539 1.754 0 50 HDAA C[C@H](Oc1ccccc1)C(=O)N1CCCN(C(=O)CSc2nc(N)n[nH]2)CC1 1529110310 LUDCGVJADQAFRP-ZDUSSCGKSA-N 404.496 1.007 0 50 HDAA CN(C)CCNC(=O)C[C@@H](c1ccc2c(c1)OCO2)c1c(O)n2ccccc2nc1=O 1857526937 SFLLHHWAECTXAI-HNNXBMFYSA-N 424.457 1.329 0 50 HDAA Cn1ncc(CCCNC(=O)c2cc(Br)c3c(c2)C(=O)NCCO3)n1 1857531153 LZORMPMVZZDSAA-UHFFFAOYSA-N 408.256 1.062 0 50 HDAA Cc1ccc2oc(N3CCC(C(=O)N4CCO[C@@H]5C[C@H](CO)C[C@@H]54)CC3)nc2n1 1857667961 ZSVYRNSXHPOZHR-UWWQBHOKSA-N 400.479 1.746 0 50 HDAA O=C1CC[C@@H](N2Cc3c(cccc3-n3cc(C[C@@H]4CCCCO4)nn3)C2=O)C(=O)N1 1875355941 HLESNTCHRGCYHW-KBXCAEBGSA-N 409.446 1.140 0 50 HDAA CC(C)(C)CN(CC(=O)O)C(=O)c1ccc2c(c1)C(=O)N([C@@H]1CCC(=O)NC1=O)C2 2325896762 GHCBOQBYRGDGBK-OAHLLOKOSA-N 415.446 1.021 0 50 HDAA Cc1nc(NCc2ccc3c(c2)C(=O)N([C@H]2CCC(=O)NC2=O)C3)c2cnn(C)c2n1 2325898205 WWHMOBBGOHEVFM-INIZCTEOSA-N 419.445 1.045 0 50 HDAA O=C(N[C@H]1CC[C@H]2C[C@H]1CN2C(=O)c1cccc(-n2ccnn2)c1)c1cnnc(O)c1 2332239585 UDTVAYVLZSIRTE-BQFCYCMXSA-N 419.445 1.186 0 50 HDAA COc1ccc(C(=O)Cn2c(N3CCCCC3)nc3c2c(=O)n(C)c(=O)n3C)cc1 1423549 SQSYEEJQSVKUJX-UHFFFAOYSA-N 411.462 1.316 0 50 HDAA COC(=O)c1c(NC(=O)CN(C)Cc2c(C)nn(C)c2C)sc(C(N)=O)c1C 17087738 OOANKIWAPRXTQA-UHFFFAOYSA-N 407.496 1.363 0 50 HDAA C1C[C@H](CN2CCOCC2)CN(c2nc3nonc3nc2N2CCSCC2)C1 19741123 OBRWYNLUKOGFQF-CQSZACIVSA-N 405.528 1.115 0 50 HDAA Cc1c(C)n2c3c(=O)n(CCN4CCOCC4)c(=O)n(C)c3nc2n1-c1ccccc1 20503805 JEKRFHGNMUIGID-UHFFFAOYSA-N 422.489 1.088 0 50 HDAA O=C(Cn1cnnn1)N1CCC[C@@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 55342723 LBHOSCVYPZJSTB-QGZVFWFLSA-N 423.443 1.505 0 50 HDAA COc1ccc(C(=O)N2CCN(c3ccnc(N4CCOCC4)n3)CC2)cc1OC 77134200 MZMREOXVJCUMDY-UHFFFAOYSA-N 413.478 1.293 0 50 HDAA CCN1CCN(CCCN2CC3(CCN(C(=O)c4ccccn4)CC3)OC2=O)CC1 77454099 FUXQBLGTQHONNO-UHFFFAOYSA-N 415.538 1.536 0 50 HDAA O=C(CC[C@H]1N=C(O)N(CCc2ccccc2)C1=O)N[C@H](CO)Cc1ccccc1 252552513 UUUDGKOGLSYSPU-VQTJNVASSA-N 409.486 1.854 0 50 HDAA COc1ccccc1CN1C[C@@H](C(=O)N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)CC1=O 253400288 DUMYIMXIEWCZHY-NEWSRXKRSA-N 421.497 1.851 0 50 HDAA biogenic Cn1c(NC(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc(=O)n(C)c1=O 1853322612 PZQQSJVOPGICDK-UHFFFAOYSA-N 404.854 1.228 0 50 HDAA O=C(CCO)N1CCC2(CC1)OCCc1cc(C(=O)N3CCC[C@H](O)C3)sc12 1857689684 VIZVUWHIRUMBKE-HNNXBMFYSA-N 408.520 1.118 0 50 HDAA COc1cccc(C(=O)N2CCC(C(=O)N3CCO[C@H]4C[C@H](CO)C[C@@H]43)CC2)c1 1857711250 PSKBEJKEMTXWMD-XPGWFJOJSA-N 402.491 1.546 0 50 HDAA CN(C)C[C@@H]1OCCN(C(=O)c2ccc3sc(=N)[nH]c3c2)[C@H]1c1cnn(C)c1 1857734496 UEYRZTIGYGSPPN-RDJZCZTQSA-N 400.508 1.586 0 50 HDAA COCCCNC(=O)[C@@]12CCCCN1C[C@@H](NC(=O)c1cccc(N(C)C)c1)C2 1875247908 UFQSNUGHJJMQAK-AVRDEDQJSA-N 402.539 1.632 0 50 HDAA Cc1nn(C)c(C)c1[C@@H]1COCCN1C(=O)C(=O)N[C@@H]1[C@H]2CCc3ccccc3[C@H]21 1875259527 BIMVASBNQKRWFI-FMWKFLBASA-N 408.502 1.781 0 50 HDAA O=C(O)c1cncc(-n2cc(C[C@H]3CCCN(C(=O)c4cncc(F)c4)C3)nn2)c1 1875324583 DUUIFKIMNWZRFK-CYBMUJFWSA-N 410.409 1.990 0 50 HDAA Cc1cc(C)cc(OCC(=O)N2Cc3ccccc3C[C@H]2C(=O)NS(C)(=O)=O)c1 1875390848 UREXLBGWCVOUEG-IBGZPJMESA-N 416.499 1.712 0 50 HDAA Cc1noc(C)c1S(=O)(=O)N1CCCCNC(=O)C[C@H]2CCCCN2CCC1 2100533381 MTDBRHPNEUWINB-QGZVFWFLSA-N 412.556 1.827 0 50 HDAA O=C(Cc1cccc(Cl)c1F)N[C@@H]1C=CCN(C(=O)Cc2c(O)ncnc2O)C1 2325850511 ABERMJPJSCAFKO-GFCCVEGCSA-N 420.828 1.349 0 50 HDAA O=C(NCc1ccnc(CNS(=O)(=O)C2CC2)c1)c1ccc2c(c1)OCCO2 2356145553 PSUTXZLPLHXNAA-UHFFFAOYSA-N 403.460 1.365 0 50 HDAA COc1ccc2c(c1)CCOC21CCN(C(=O)NC[C@H]2CCS(=O)(=O)C2)CC1 2356154309 QDFVWENWJDYIOW-OAHLLOKOSA-N 408.520 1.703 0 50 HDAA O=C(c1cc(S(=O)(=O)N2CCCC2=O)c(Cl)cc1Cl)N1CCOCC1 4868452 ZUZHXQWFSVVVOD-UHFFFAOYSA-N 407.275 1.777 0 50 HDAA CN(Cc1cccnc1)C(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(c4ccc(CCO)cc4)C(=O)[C@H]13)O2 77286884 RDSCUXIWOZCMNU-CIEVZJJWSA-N 419.481 1.561 0 50 HDAA CN(C)C(=O)NCC(=O)N1C[C@@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CCN2CC1 95383762 HDZGAWLDSJJBQG-CWFSZBLJSA-N 400.479 1.075 0 50 HDAA O=S1(=O)CCC[C@@H](CS(=O)(=O)N2CCC(OCc3ccccc3)CC2)C1 240668107 HMJNOTZELGFZCD-QGZVFWFLSA-N 401.550 1.822 0 50 HDAA COC(=O)[C@@H](CCSC)NC(=O)Cn1nc(-c2ccccc2Cl)ccc1=O 252537638 LXLWYPNTANHUMR-OAHLLOKOSA-N 409.895 1.975 0 50 HDAA CC(C)(C)OC(=O)N1CCC(CCN2CCCN3N=C(C(=O)O)C[C@@H]3C2=O)CC1 261506992 DGECYVFSYYOSID-MRXNPFEDSA-N 408.499 1.771 0 50 HDAA CCn1c(-c2cc(C)oc2C)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 328589629 GVGCUKBFVOPGAW-MRXNPFEDSA-N 423.539 1.806 0 50 HDAA O=C(C[C@H]1NC(=O)N(c2ccccc2)C1=O)N1C[C@@H]2C[C@H](C1)CN1C(=O)CCC[C@@H]21 888089293 SYJFTEHWCXFIGS-ATLSCFEFSA-N 410.474 1.361 0 50 HDAA CN1C[C@H]2CN(c3cc4c(nn3)CCN(C(=O)[C@H]3CCCCCC[C@@H]3N)C4)C[C@H]2C1 952891027 SOEOWHLSPBSVMA-YRPNKDGESA-N 412.582 1.657 0 50 HDAA CS(=O)(=O)c1cccc(C(=O)Nc2ccc(OCC(=O)N3CCOCC3)cc2)c1 952982487 ABTPSOVZAUPCCX-UHFFFAOYSA-N 418.471 1.580 0 50 HDAA COc1ccc(CN2C[C@@H]3CCOC[C@]3(C(=O)O)C2)cc1OCCN1CCOCC1 1857668966 RKOLGKOHXSHVMY-PGRDOPGGSA-N 420.506 1.329 0 50 HDAA COc1cc(Oc2cc(C(=O)NC[C@H]3CNCCO3)ccc2OC)ccc1CN 1857686654 AYTKGQYKWPXUJS-QGZVFWFLSA-N 401.463 1.673 0 50 HDAA CCCO[C@H]1C[C@@H](C(=O)NCc2c(C)noc2C)CC[C@@H]1N=c1cc[nH]c(=N)[nH]1 1857687300 PHDZYNALUGDVIG-XIRDDKMYSA-N 402.499 1.608 0 50 HDAA CCOC(=O)N1CCC(NC(=O)[C@H]2CC(=O)N(c3nnc(C(C)C)s3)C2)CC1 1857695776 XDFSPXZZOZQFHZ-LBPRGKRZSA-N 409.512 1.752 0 50 HDAA COc1ccc(N(CCC(N)=O)C(=O)COC(=O)c2cc3c(nc2O)CCC3)cc1 1875255034 UNPWGMFHIBBRGN-UHFFFAOYSA-N 413.430 1.350 0 50 HDAA CNC(=O)CN(CCCCn1ccnc1C)S(=O)(=O)c1cccc2c1OCO2 1875303603 FHOAGCGPDPYIQF-UHFFFAOYSA-N 408.480 1.137 0 50 HDAA COC1CC2(CCN(c3ccncc3S(=O)(=O)N3CCN(C(C)=O)CC3)CC2)C1 1875335829 IUPTWALBBCBKBK-UHFFFAOYSA-N 422.551 1.330 0 50 HDAA CCc1sc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)nc1-c1ccccc1 795405 HTISSGKDUPAFMW-UHFFFAOYSA-N 424.486 1.758 0 50 HDAA O=C(N[C@@H](Cc1ccc2c(c1)OCO2)C(=O)N1CCC[C@H]1C(=O)O)c1ccccc1 2989271 VKWBFVCJTYULKJ-IRXDYDNUSA-N 410.426 1.832 0 50 HDAA O=C1N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCN(C(=O)Nc3cccc(F)c3)C[C@H]12 14755231 ILUJLDMIOQXRHI-ZWKOTPCHSA-N 412.421 1.317 0 50 HDAA CC(C)C(=O)N1CCN(C(=O)c2ccc3ccccc3c2)[C@H]2CS(=O)(=O)C[C@H]21 72478967 SXFWSONFZMEOGI-MOPGFXCFSA-N 400.500 1.946 0 50 HDAA Cc1cc(C(=O)N2CCC(N3CCC[C@@H](C(=O)NCc4ccccn4)C3)CC2)[nH]n1 82087608 YSIBXBIYIVCRQW-QGZVFWFLSA-N 410.522 1.746 0 50 HDAA O=C(NCc1nnn[nH]1)[C@@H]1CCCN(C2CCN(C3Cc4ccccc4C3)CC2)C1 91755868 WMUKPSGTVBXYOG-GOSISDBHSA-N 409.538 1.160 0 50 HDAA C[C@@H](CO)N(C[C@@H](C)O)C(=O)Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 225516611 OGBJZCUYUNUGDS-LSDHHAIUSA-N 424.494 1.759 0 50 HDAA C[C@H](OC(=O)[C@H](C)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O)C(=O)Nc1ccc2c(c1)OCO2 239761319 CJNLWHZQQRAQCR-DDHJSBNISA-N 414.414 1.625 0 50 HDAA CCOC(=O)Cc1csc(NC(=O)C[C@H]2N=C(O)N(Cc3ccccc3)C2=O)n1 252548728 QHZAJYDVVLDVKJ-CQSZACIVSA-N 416.459 1.902 0 50 HDAA CN1CCN(c2ccc(NC(=O)C(=O)NCCCn3ccnc3)cc2Cl)CC1 750338228 IEFSKNMBZCWCFT-UHFFFAOYSA-N 404.902 1.433 0 50 HDAA NC(=O)c1csc(N2CCC(CNC(=O)[C@@H]3COc4ccccc4O3)CC2)n1 952986769 IDUYJHCDFXNUBD-INIZCTEOSA-N 402.476 1.415 0 50 HDAA O=C(O)C1CCN(S(=O)(=O)N2CCC(c3nc4ccc(F)cc4[nH]3)CC2)CC1 1506421696 UGOOVIITPPSTNK-UHFFFAOYSA-N 410.471 1.923 0 50 HDAA Cc1ccn(CC(=O)N2CCOC[C@@H](CN(C)Cc3cc(-c4ccccn4)no3)C2)n1 1857709793 RQDSRCANJRNNLA-SFHVURJKSA-N 424.505 1.849 0 50 HDAA COCc1nnc(N2C[C@H](C(=O)N3CCC(Cn4ccnc4)CC3)CC2=O)s1 1857731986 WSPFWWUYASDEEX-CQSZACIVSA-N 404.496 1.173 0 50 HDAA CCC(=O)N1CCC[C@]2(CCc3c2nc(-c2cccnc2)[nH]c3=NCc2nc[nH]n2)C1 1875241380 VTQAIEOWNJTOTK-QFIPXVFZSA-N 418.505 1.907 0 50 HDAA O=C(NCCn1ccnc1)c1ccc(Cn2cc(-c3cccc(C(=O)O)n3)nn2)cc1 1875326846 OVHFIJIEUFMQIB-UHFFFAOYSA-N 417.429 1.713 0 50 HDAA C=CC(=O)N1CCC(C(=O)NCc2cnn3c2CN(C(=O)OC(C)(C)C)CC3)CC1 1875371429 ANZYLWZWCIPVJL-UHFFFAOYSA-N 417.510 1.675 0 50 HDAA COC(C)(C)C(=O)N1CCCNC(=O)CC[C@@H](c2ccccc2)CCNC(=O)C1 1940195652 VKBKHEKUTYYTIQ-GOSISDBHSA-N 403.523 1.830 0 50 HDAA C[C@H](NC[C@H](O)COCc1ccc2c(c1)OCO2)c1ccc2c(c1)NC(=O)CO2 2325723185 CNGQUDDLOOBMAP-BBRMVZONSA-N 400.431 1.975 0 50 HDAA C[C@@H](CC(=O)N=[S@@]1(=O)CCCN(C(=O)c2cc(=O)n(C)cn2)CC1)C(F)(F)F 2332238771 KPMACRLSPJZINP-NQNZVUTLSA-N 422.429 1.209 0 50 HDAA COc1ccc(NC(=O)c2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)cc1 837299 YYYACIWLTCEMNH-UHFFFAOYSA-N 406.460 1.977 0 50 HDAA CCOC(=O)CSc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1C 1423113 BHQDGRGKGVOFLQ-UHFFFAOYSA-N 402.476 1.446 0 50 HDAA CN1CCN(S(=O)(=O)c2ccc(NC(=O)[C@H]3CC=CC[C@@H]3C(=O)O)cc2)CC1 4801824 OZFLFESHOSDAAE-IRXDYDNUSA-N 407.492 1.228 0 50 HDAA CSc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1C(=O)N1CCOCC1 16626641 KARPTDWRBPEFLV-ZDUSSCGKSA-N 400.522 1.338 0 50 HDAA CCCCN1CCN([C@@H](C(=O)N2CCCn3cncc3C2)c2ccccc2)C(=O)C1=O 77298160 HOHXHGJGWGTBJO-HXUWFJFHSA-N 423.517 1.828 0 50 HDAA CCN1CCC[C@H]1CNC(=O)CCC1CCN(C(=O)c2cc(C)[nH]c(=O)c2)CC1 95519610 CFBCJJBCAJQZDF-IBGZPJMESA-N 402.539 1.916 0 50 HDAA CCOc1ccc(OCC(=O)N2CCc3nc(NS(C)(=O)=O)sc3C2)cc1 241884815 SYALCJYVMKSRJW-UHFFFAOYSA-N 411.505 1.877 0 50 HDAA COc1cc(-n2cnnn2)ccc1NC(=O)C1CCN(C(=O)c2ccccn2)CC1 952983058 IEUJOZODRJPJCS-UHFFFAOYSA-N 407.434 1.557 0 50 HDAA CN(C)S(=O)(=O)N1C[C@H]2CC[C@@H](C1)N(C(=O)c1ccc(OC(F)F)cc1)C2 1073293642 MOINBWBRVYYKPU-OCCSQVGLSA-N 403.451 1.631 0 50 HDAA COc1ccc(CC(=O)O)cc1S(=O)(=O)N1CCCN(c2ccncc2C)CC1 1506418003 MYZSIEBIYCFKHW-UHFFFAOYSA-N 419.503 1.927 0 50 HDAA CCCO[C@@H]1CC[C@H](C(=O)NCc2ccccn2)C[C@H]1NC(=O)c1[nH]nnc1C 1857684742 BIUMNCPHSRZJRI-USXIJHARSA-N 400.483 1.518 0 50 HDAA CCOC(=O)CC1CCN(c2ncnc3c2ncn3C[C@@H](CO)[C@@H]2CCOC2)CC1 1875269159 JVKMWSRHVHEGIB-SJORKVTESA-N 417.510 1.641 0 50 HDAA CN(CCN(C)C(=O)[C@@]12CCC[C@@H]1C2)C[C@](C)(O)c1ccc(S(C)(=O)=O)cc1 2325794364 ZPUZDXTXXLRHHN-JRGCBEDISA-N 408.564 1.878 0 50 HDAA CCn1cc(C(=O)N[C@@H]2CN(C(=O)C[C@H]3CCOC3)C[C@@H]2F)c(-c2cnn(C)c2)n1 2325873057 XGCRNVMHGURTHT-XOKHGSTOSA-N 418.473 1.009 0 50 HDAA COCCN1CCC[C@@]2(CCCN2C(=O)CCn2nc(C)c(C(C)=O)c2C)C1=O 2356151523 LYACXSQLVKDAEB-OAQYLSRUSA-N 404.511 1.723 0 50 HDAA COCCOC(=O)C1=C(N)OC(C)=C(C(=O)OC(C)C)[C@@]12C(=O)Nc1ccccc12 2051522 JIXGGAXBEGARNZ-OAQYLSRUSA-N 416.430 1.492 0 50 HDAA Cc1ccc2c(C)nc(N3CCC[C@@H](N[C@@H]4CS(=O)(=O)C[C@H]4O)CC3)nc2c1 12127103 CXGITAAMGQIAQC-ATZDWAIDSA-N 404.536 1.353 0 50 HDAA CCOCCn1c(SCC(=O)OCc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C 12378320 PEPPYVVQIKAQPP-UHFFFAOYSA-N 418.475 1.295 0 50 HDAA C1C[C@@H](CN2CCOCC2)CN(c2nc3nonc3nc2N2CCSCC2)C1 19741121 OBRWYNLUKOGFQF-AWEZNQCLSA-N 405.528 1.115 0 50 HDAA O=C(c1cccs1)[C@@H]1CCCN(C(=O)c2cn(CCN3CCOCC3)nn2)C1 77002441 XZAGXLYTKGHPRO-OAHLLOKOSA-N 403.508 1.407 0 50 HDAA Cc1ccc2c(c1)[C@@H](NC(=O)Cn1nnnc1CN1CCOCC1)CC(C)(C)O2 95500043 MYLJUIBGPAZPNR-INIZCTEOSA-N 400.483 1.232 0 50 HDAA CN(CC(=O)N[C@@H]1CCCN(c2ccccc2Cl)C1=O)[C@H]1CCS(=O)(=O)C1 253371039 ZUOMHZBCXZEQOO-DZGCQCFKSA-N 413.927 1.071 0 50 HDAA Cc1cccnc1C(=O)NC[C@H]1CN(CC2CCN(CC3CC3)CC2)C(=O)CO1 299797245 QQKFUNBQZOLKOW-IBGZPJMESA-N 400.523 1.469 0 50 HDAA CCC(=O)NCc1cc2n(n1)CCN(C(=O)[C@H](C)Sc1nc(C)cc(O)n1)C2 426412705 HNFWCTRXZYFJAB-LBPRGKRZSA-N 404.496 1.236 0 50 HDAA C=CC(=O)Nc1ccc(C(=O)N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)cc1 780044291 KVZGFXFSBDTPJD-QGZVFWFLSA-N 407.492 1.078 0 50 HDAA CCNC(=O)[C@@]1(Cc2ccccc2)C[C@H]2CC[C@@H]1N2C(=O)c1nc2ncccn2n1 1704298169 GHFSPIMUXNXQGM-JLHGSKIFSA-N 404.474 1.866 0 50 HDAA COc1ccc(S(=O)(=O)N2CCC[C@]3(CCc4cnc(N)nc43)C2)cc1OC 1704353469 NZVHNMMFEPQRRF-IBGZPJMESA-N 404.492 1.745 0 50 HDAA O=C(c1ccncc1)N1C[C@H]2CN(C(=O)c3nc4c(s3)CCCC4)C[C@@]2(CO)C1 1772704642 DENMIVHMOVGEPO-YCRPNKLZSA-N 412.515 1.624 0 50 HDAA CCOC(=O)[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CCN(C(=O)c1n[nH]cc1Cl)C2 1857685848 WYYURSUMQYJJTH-STXHMFSFSA-N 424.929 1.959 0 50 HDAA O=C(N[C@@H]1C[C@@H](C(=O)N2CCc3sccc3C2)CC[C@H]1O)c1cccc(O)n1 1857694343 MCPXXWTXJGECDR-APHBMKBZSA-N 401.488 1.693 0 50 HDAA CC(=O)N1CCC[C@]2(CCc3c2nc(-c2cccnc2)[nH]c3=NCCn2cncn2)C1 1875248466 RYJREVQLCUWXII-QFIPXVFZSA-N 418.505 1.490 0 50 HDAA Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1[C@@H]1NC(=O)N([C@H]2CCNC2=O)C1=O 1875334727 BBDGHQPUEUEJHP-ZFWWWQNUSA-N 421.379 1.989 0 50 HDAA C[C@H](CCCNC(=O)[C@@H]1CCC[C@@H]1S(C)(=O)=O)NC(=O)[C@H](O)c1ccccc1 1875344109 DSHFZVMWRHXYMS-NRSFXHEJSA-N 410.536 1.334 0 50 HDAA Cn1nccc1C(=O)NC[C@@H]1[C@@H](c2ccccc2)[C@]12CN(c1ccncn1)C[C@@H]2O 2100541110 WIBUQDCFGGOSKM-HOQQESESSA-N 404.474 1.221 0 50 HDAA O=C(NCc1cc2c(s1)CCSC2)[C@H]1CC(=O)N(CCN2CCOCC2)C1 2325740527 UKVPGQLCLUJMCD-AWEZNQCLSA-N 409.577 1.334 0 50 HDAA CCn1nc(C(=O)N2CCN(C(=O)c3ccccc3O)CC2)c2ccccc2c1=O 2325748050 LCVULDODZUMIHF-UHFFFAOYSA-N 406.442 1.720 0 50 HDAA COc1ccc([C@@H]2[C@@H](C(=O)N3C[C@H]4C[C@@H](O)C[C@H]4C3)OCC(=O)N2C2CC2)cc1 2356148026 CYBFBWNTZRWHOK-ZCTIPADRSA-N 400.475 1.355 0 50 HDAA CCOC(=O)N1CCN(C(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)CC1 4844652 DZLNLEHBVXKDMK-UHFFFAOYSA-N 409.508 1.388 0 50 HDAA COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NCc2n[nH]c3c2CCC3)cc1C 11936121 HQFQUTFNWBDIKO-IBGZPJMESA-N 411.506 1.222 0 50 HDAA CCc1ccc(CN2CCc3nnc(CNC(=O)[C@H]4CCCN(C)C4)n3CC2)o1 12217710 CEBDKNPZWRHIOV-INIZCTEOSA-N 400.527 1.450 0 50 HDAA O[C@H](c1cccs1)C1CCN(c2nc3nonc3nc2N2CCOCC2)CC1 14952589 KBMZMGNLZBPAQU-AWEZNQCLSA-N 402.480 1.861 0 50 HDAA COc1ccc(S(=O)(=O)N(CC(=O)N2CCN(C)CC2)c2ccccc2)cc1 19589737 YOLWXCQLTGLSHO-UHFFFAOYSA-N 403.504 1.665 0 50 HDAA Cc1cc(C)n(-c2ccc(=O)n(CC(=O)N3CCN(Cc4ccccc4)CC3)n2)n1 40286891 BKRKMFUXGMQLKU-UHFFFAOYSA-N 406.490 1.390 0 50 HDAA O=C(c1csc2nc(-c3ccccc3)cn12)N1CCN[C@H]2CS(=O)(=O)C[C@H]21 67654272 JARURCXXBHYGCB-GOEBONIOSA-N 402.501 1.274 0 50 HDAA Cc1cccc(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N(C)Cc3nnc(C)o3)[C@@H]4C2=O)c1 77285419 IBVCOACSJJTBTF-UYZIEWPDSA-N 408.458 1.627 0 50 HDAA CN(Cc1ccno1)C(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(c4ccc(CCO)cc4)C(=O)[C@H]13)O2 77539823 YQDWEEKKNSPTMR-OZIGNCPNSA-N 409.442 1.154 0 50 HDAA CCOC(=O)[C@](C)(O)[C@]1(C(=O)OC(C)(C)C)OC(C)(C)O[C@@H]1C(=O)OC(C)(C)C 101083079 YFDJFTNNEABDGO-CFGAKRJMSA-N 418.483 1.874 0 50 HDAA CCCCOCCOCCOCCS(=O)(=O)N1CCN(c2nccs2)CC1 170595713 UVDRWCPUWUVRDN-UHFFFAOYSA-N 421.585 1.445 0 50 HDAA CC(C)C[C@@H](CO)NC(=O)CC[C@H]1N=C(O)N(Cc2ccc3c(c2)OCO3)C1=O 252536254 HZRAZQHJQJPYLV-LSDHHAIUSA-N 405.451 1.344 0 50 HDAA COC(=O)c1c(OC[C@@H]2CCCN(C)C2)cc(=O)n2c1CCN(CC1CC1)CC2 299755567 AEOWRDRDHGCEHN-QGZVFWFLSA-N 403.523 1.624 0 50 HDAA CCc1ncc(C(=O)N2CCC[C@H](n3ncc(N4CCOCC4)cc3=O)C2)s1 328605211 MMBWQTHSXJZCOK-AWEZNQCLSA-N 403.508 1.576 0 50 HDAA Cn1cncc1CN1CCC(N2C[C@@H](COc3ccc(F)cc3)OCC2=O)CC1 426444926 LDCGIJDRDMTQQY-FQEVSTJZSA-N 402.470 1.830 0 50 HDAA COc1cc(C)c(C(C)C)cc1S(=O)(=O)NCCCN1CCC[C@@H](C(N)=O)C1 670463498 UOODLGSIKKMXLR-MRXNPFEDSA-N 411.568 1.993 0 50 HDAA Cc1cc(C(=O)N[C@H](C)CN2CCc3ccccc3C2)c2c(O)nc(=O)n(C)c2n1 821809989 GKARNWSVBRLZDC-CQSZACIVSA-N 407.474 1.519 0 50 HDAA Cn1ccnc1CN1C[C@@H]2CN(Cc3nn(C)c4cccc(Cl)c34)C[C@]2(CO)C1 1772700639 FNFRMBCAPRXPGV-YCRPNKLZSA-N 414.941 1.887 0 50 HDAA O=C(NCc1cccn2nccc12)[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 1772805525 MTDPCVAPGOGOEF-GOSISDBHSA-N 402.451 1.943 0 50 HDAA CCn1cc(/N=c2/scc(-c3cnnn3C)n2CCOC[C@H]2CCOC2)cn1 1875255808 WEGOSXKRUXENAC-IKRFMFEDSA-N 403.512 1.847 0 50 HDAA NC(=O)c1cccnc1N1CCN(c2nccn3cc(Br)cc23)CC1 1875361711 ZFESLVFVGPJINA-UHFFFAOYSA-N 401.268 1.917 0 50 HDAA CN(C)c1ncc2c(n1)[C@@]1(CCCN(C(=O)Cn3c(=O)oc4ccccc43)C1)CC2 2356145611 FHUUPSWLGDDAQU-QFIPXVFZSA-N 407.474 1.957 0 50 HDAA Cc1ccc2cc(CN3C[C@@H]4CCS(=O)(=O)[C@@H]4C3)c(N3CCOCC3)nc2c1 2356164259 LPMKREOATBNFPI-FXAWDEMLSA-N 401.532 1.999 0 50 HDAA C[C@@H](NS(=O)(=O)c1ccc(OCC(=O)N2CCOCC2)cc1)c1ccccc1 802403 ADEBDTRLVOHBLD-MRXNPFEDSA-N 404.488 1.964 0 50 HDAA Cn1ccnc1SCCNC(=O)C[C@H]1C(=O)NCCN1CCCc1ccccc1 11819334 KNTSHXAWFXLSPD-SFHVURJKSA-N 415.563 1.452 0 50 HDAA COc1cc(CN(C)Cc2cc(C)[nH]n2)ccc1OC[C@@H](O)CN1CCOCC1 12301842 RBDKANRDMYUJMA-IBGZPJMESA-N 404.511 1.431 0 50 HDAA CCN1CCC[C@H]1CN(CC1CCN(CCOC)CC1)C(=O)CCn1cccn1 12750370 XTNSSPZSURMISJ-NRFANRHFSA-N 405.587 1.945 0 50 HDAA Cn1cc(CN2C[C@H](OCc3cccnc3)CN(Cc3cccc(O)c3)CC2=O)cn1 14533676 GMTZHNNKTGAMAW-JOCHJYFZSA-N 421.501 1.951 0 50 HDAA CN(C)c1ccnc(N2CCC(N3CCC[C@H](C(=O)N4CCOCC4)C3)CC2)n1 71749275 AGBQKOGVVDTVNY-KRWDZBQOSA-N 402.543 1.082 0 50 HDAA O=C(c1ccc(-c2ccccc2)cc1)N1CCN2C(=O)[C@@H]3CSCN3C(=O)[C@H]2C1 72162716 KTXQOORAFIBBQF-MOPGFXCFSA-N 407.495 1.922 0 50 HDAA CN(C)S(=O)(=O)N1C[C@@H]2CC[C@H](C1)N(C(=O)c1ccc(OC(F)F)cc1)C2 95374861 MOINBWBRVYYKPU-GXTWGEPZSA-N 403.451 1.631 0 50 HDAA CCCc1cc(C(=O)N2CCC3(CC2)c2nc[nH]c2CCN3C(=O)COC)no1 95507975 HPQRMQMYRPAERZ-UHFFFAOYSA-N 401.467 1.513 0 50 HDAA Cc1cnccc1C(=O)NC[C@@H]1CN(CC2CCN(CC3CC3)CC2)C(=O)CO1 299764222 QTUQPWNEHUBWNB-LJQANCHMSA-N 400.523 1.469 0 50 HDAA COC(=O)C[C@@]1(NC(=O)[C@H](Cc2c[nH]c3cc(F)ccc23)NC(C)=O)CCOC1 464441543 ZGCLJEGNRKQWHY-PXNSSMCTSA-N 405.426 1.193 0 50 HDAA O=C(NCc1csc(-c2cnccn2)n1)C1CCN([C@@H]2CCS(=O)(=O)C2)CC1 827758293 NATOXDNZCCFCKS-OAHLLOKOSA-N 421.548 1.115 0 50 HDAA COCCc1noc([C@@H]2CCCCN2C(=O)Cc2ccc(S(C)(=O)=O)cc2)n1 952868133 ZFMNAUUHQWBKFF-INIZCTEOSA-N 407.492 1.958 0 50 HDAA O=C(CCN1CCOCC1)Nc1cc(NC(=O)c2cc3ncccn3n2)ccc1F 1353829714 OVSMBNBGKCOICE-UHFFFAOYSA-N 412.425 1.782 0 50 HDAA CCOC(=O)[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CCN(C(=O)c1[nH]nnc1C)C2 1857670780 YZHBYPPFLWOOQF-JXXFODFXSA-N 405.499 1.009 0 50 HDAA COc1ccc(OC)c(S(=O)(=O)N2CCC(C(=O)NC[C@@H]3CCCO3)CC2)c1 814576 RHZHEALCUWIPNX-INIZCTEOSA-N 412.508 1.400 0 50 HDAA COc1ccc(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3c(C)n[nH]c3C)C2)cc1 5005162 DHDARIPYUWGVTR-INIZCTEOSA-N 406.508 1.752 0 50 HDAA COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NCc2ccncc2C)c(F)c1 11818653 TYWRDSYQSSYCAE-IBGZPJMESA-N 400.454 1.545 0 50 HDAA CC1CCN(Cc2nnnn2CC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)CC1 12433052 XDOANZAJIGBPGJ-HXUWFJFHSA-N 411.554 1.686 0 50 HDAA CC(C)N(C)Cc1nnnn1CC(=O)NC[C@H]1CCCN(CCc2ccccc2)C1 12596191 ZIBIZIJIPWTYHQ-HXUWFJFHSA-N 413.570 1.584 0 50 HDAA O=C1CN(C(=O)[C@H]2CCOC2)C[C@@H](OCc2ccccc2)CN1CC1CCOCC1 14748946 DEOCHGPWOOIRHI-SFTDATJTSA-N 416.518 1.706 0 50 HDAA CC(C)Cc1ccc(CN2CCc3nnc(CNC(=O)[C@@H]4CCC(=O)N4)n3CC2)cc1 20270994 ZEKFVUJNOHMNTE-IBGZPJMESA-N 424.549 1.430 0 50 HDAA Cn1c(=O)c(=O)n(C)c2cc(S(=O)(=O)N3CCC[C@H]3c3cccc(F)c3)ccc21 21791621 AATOPILPTWPIKS-INIZCTEOSA-N 417.462 1.902 0 50 HDAA CCOc1ccc(N([C@@H](CC)C(=O)N2CCC(C(N)=O)CC2)S(C)(=O)=O)cc1 65365066 BASOZTADSYCSTM-KRWDZBQOSA-N 411.524 1.354 0 50 HDAA Cc1nc(N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)cc(-n2ccnc2)n1 67601793 FIBRJWXNXSBLAZ-UHFFFAOYSA-N 402.455 1.621 0 50 HDAA CCN1CCN(C(=O)[C@@H]2[C@@H]3C=C[C@@]4(CN(CCOc5ccccc5)C(=O)[C@H]24)O3)CC1 77453020 CIMFRZPUIXFECD-SRYPRDQNSA-N 411.502 1.012 0 50 HDAA COc1ccc(CCNC(=O)Cn2ccn3nc4c(c3c2=O)CCCC4)cc1OC 169759952 DMASPFZAGBEBLT-UHFFFAOYSA-N 410.474 1.751 0 50 HDAA C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)N[C@@](C)(C(=O)O)C3CC3)c2)C[C@@H](C)O1 222164293 HVERKECGXIJZEN-VLXJIEOASA-N 410.492 1.468 0 50 HDAA COC(=O)c1cn(-c2ccc(-n3nc(C)cc3C)c(C(=O)O)c2)cc2c(=O)[nH]nc1-2 253398893 CJTQUIUJYXKBQX-UHFFFAOYSA-N 407.386 1.953 0 50 HDAA CC(=O)N[C@@H]1[C@H](Oc2ccc(C(C)=O)cc2)O[C@@H]2CO[C@H](c3ccco3)O[C@@H]2[C@H]1O 253498565 NLFBZPXTFIBIDP-SJFWLOONSA-N 417.414 1.566 0 50 HDAA COC1(CO)CCN(C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)C)CC1 446987250 AEIHLXMFUSOPAZ-IBGZPJMESA-N 401.507 1.851 0 50 HDAA COCCNS(=O)(=O)c1c[nH]c(C(=O)Nc2cccc(-c3nnc(C)o3)c2)c1 469625351 MAFTZYBSXGDLFX-UHFFFAOYSA-N 405.436 1.550 0 50 HDAA CCCn1cc(C(=O)N2C[C@H]3CN(C(=O)CCOC)C[C@]3(CN(C)C)C2)c(C)n1 1772710872 XBZKIXKTRLITOF-DYESRHJHSA-N 405.543 1.100 0 50 HDAA CN1C(=O)[C@@H]2CN(C(=O)[C@H](Cc3ccccc3)NC(=O)c3cccs3)C[C@@H]2C1=O 1857527068 SZMKJAZVHYTISY-XHSDSOJGSA-N 411.483 1.162 0 50 HDAA O=C(N[C@@H]1CN2CCCC[C@@]2(C(=O)NCc2ccc3nc[nH]c3c2)C1)[C@H]1CCCO1 1857686154 KBQXOCWHGOXOBS-NBCNXNJRSA-N 411.506 1.471 0 50 HDAA Cc1ccnn1CCC(=O)NC[C@H]1CN(CC2CCN(CC3CC3)CC2)C(=O)CO1 1857691615 SKNMTYDOTSMLBX-FQEVSTJZSA-N 417.554 1.047 0 50 HDAA CC(C)C[C@@H]1[C@H](C(=O)NCc2cccnc2)C[C@@H]2CN(Cc3ncc[nH]3)CC(=O)N21 1857693591 CZLAWBGIFYVDDW-GUDVDZBRSA-N 410.522 1.569 0 50 HDAA CN(CCOCc1cn(-c2cncc(C(=O)O)c2)nn1)C(=O)c1cncc(F)c1 1875324737 LJPNYQMFBZSYMR-UHFFFAOYSA-N 400.370 1.183 0 50 HDAA O=C1NC(=O)[C@@]2(CCCC[C@@H]2NC(=O)c2ccc(S(=O)(=O)C3CCC3)cc2)N1 1875329027 ZJGBUJZVEBCWID-KXBFYZLASA-N 405.476 1.263 0 50 HDAA C=CC(=O)NC[C@H](NC(=O)CN1CCCCS1(=O)=O)c1ccc2ccccc2c1 1875385839 CWTVGSHAIAPPIE-IBGZPJMESA-N 415.515 1.725 0 50 HDAA Cn1c(=O)[nH]c(=O)c2c1nc(N1CCCC1)n2C[C@H](O)COc1ccc(Cl)cc1 629377 SAAQTJDKFDGREJ-ZDUSSCGKSA-N 419.869 1.117 0 50 HDAA COc1cc(CN(C)Cc2cn(C)nc2C)ccc1OC[C@H](O)CN1CCOCC1 12385529 VKYRLZPZNNDLOZ-HXUWFJFHSA-N 418.538 1.441 0 50 HDAA Cc1ncsc1CCN(C)C(=O)[C@H]1CCC(=O)N(CCCN2CCOCC2)C1 15074529 MCYLRISGLBZYDB-KRWDZBQOSA-N 408.568 1.413 0 50 HDAA COc1ccc(S(=O)(=O)N2CCN(c3cc(N4CCCC4)nc(C)n3)CC2)cc1 15671247 AUYKDMIVLNTYAZ-UHFFFAOYSA-N 417.535 1.905 0 50 HDAA COc1cccc(OC[C@@H](O)CN2CCN(Cc3ccc4c(c3)OCO4)CC2)c1 19794755 CDXVEQDWNWPPIG-SFHVURJKSA-N 400.475 1.981 0 50 HDAA O=C(NCCN1CCOCC1)[C@H]1CCCN(C2CCN(Cc3ccncc3)CC2)C1 82099704 LOCMCFNQGURIMS-NRFANRHFSA-N 415.582 1.206 0 50 HDAA O=C(N[C@H]1CCCN(CCO)C1=O)c1cnn(-c2ccc(F)cc2)c1-n1cccc1 170600514 HYEIEJRYISCMOU-SFHVURJKSA-N 411.437 1.515 0 50 HDAA CS(=O)(=O)c1ccc(NC2CCN(S(C)(=O)=O)CC2)c(C(F)(F)F)c1 253419347 POMWSEGNUKCDNI-UHFFFAOYSA-N 400.444 1.945 0 50 HDAA O=C(NCCSc1nc[nH]n1)c1ccc2c(c1)nc(O)n2[C@H]1CC[C@H](O)CC1 426527998 PTVRBBSYESTNLM-JOCQHMNTSA-N 402.480 1.858 0 50 HDAA O=C(Cn1c(=O)oc2ccccc21)N[C@@H]1C2CN3CCN(C2)CC1(c1ccccc1)C3 670462975 UWQDVROMTFPFPT-XAHYOPIXSA-N 418.497 1.278 0 50 HDAA O=C(C1CCN([C@@H]2CCS(=O)(=O)C2)CC1)N1CCOc2ccc(Cl)cc2C1 1506428268 ONGQHZVOJNOKDL-QGZVFWFLSA-N 412.939 1.960 0 50 HDAA CCc1nc[nH]c(=NC[C@@H]2CN(CC3CCN(CC4CC4)CC3)C(=O)CO2)c1F 1857672372 AODWFBKAGXTUFW-QGZVFWFLSA-N 405.518 1.361 0 50 HDAA COc1ccc(CN2CC[C@@]34OC[C@@H](C(C)C)N3C(=O)C[C@@H]24)cc1OCC(=O)O 1857735066 GEWNFCIOLKDSGB-KLHJMIIUSA-N 404.463 1.716 0 50 HDAA CN(CC(=O)N1C[C@H](C[C@@H]2COCC(=O)N2)c2ccccc21)C(=O)c1ccccc1 2325725949 BOHHDTCUEZQPBT-ZWKOTPCHSA-N 407.470 1.794 0 50 HDAA O=C1CC[C@@H](N2Cc3ccc(CNC(=O)c4nc5ccccc5o4)cc3C2=O)C(=O)N1 2325896251 VBIYXNJMRLQDLH-MRXNPFEDSA-N 418.409 1.519 0 50 HDAA Nc1nc(CSc2nnnn2-c2ccc(F)c(Cl)c2)nc(N2CCOCC2)n1 1068047 ICSLBCOLLJIKBY-UHFFFAOYSA-N 423.865 1.351 0 50 HDAA CNC(=S)N(Cc1ccco1)[C@@H]1CC(=O)N(c2ccc(C(=O)OC)cc2)C1=O 1211636 GAJHCWSPTXTEFT-OAHLLOKOSA-N 401.444 1.705 0 50 HDAA COCCOC(=O)C1=C(N)Oc2c(oc(CO)cc2=O)[C@@H]1c1ccc(Cl)cc1 2242382 ZJFYZRIDJLZPKU-CQSZACIVSA-N 407.806 1.670 0 50 HDAA COCCn1c(=O)c2c(nc(-n3nc(C)cc3C)n2Cc2ccccc2)n(C)c1=O 12231674 RYKVXOBNAUOPPW-UHFFFAOYSA-N 408.462 1.394 0 50 HDAA CCS(=O)(=O)c1ncc(CN2CCC[C@H](CN3CCCC3=O)C2)n1CCOC 12302808 GGQPORBXZDMWAD-INIZCTEOSA-N 412.556 1.158 0 50 HDAA Cn1nc(C(=O)NCc2ccccc2F)c2c1CC[C@@H](N1CCCN(C=O)CC1)C2 14540066 NCLQSYBCTKWVNT-QGZVFWFLSA-N 413.497 1.511 0 50 HDAA CC(=O)OC(OC(C)=O)[C@@]12C=C[C@@H](O1)[C@H]1C(=O)N(c3ccc(C(C)=O)cc3)C(=O)[C@@H]12 16156123 MEVYGRCLEKIXBW-LHUKNYEISA-N 413.382 1.155 0 50 HDAA CCc1ccc(S(=O)(=O)NCCNc2cc(N3CCOCC3)nc(C)n2)cc1 38488313 JHKLTVDXXKJBAA-UHFFFAOYSA-N 405.524 1.574 0 50 HDAA Cn1cc(CNC(=O)C[C@@H]2C(=O)NCCN2Cc2ccccc2C(F)(F)F)cn1 55133308 GLHFHBFZCYRXSK-MRXNPFEDSA-N 409.412 1.446 0 50 HDAA C[C@@H](CN1CC2(CCN(C(=O)CN3C(=O)CNC3=O)CC2)OC1=O)c1ccccc1 72436263 GTLFUZJMZOBBER-HNNXBMFYSA-N 414.462 1.155 0 50 HDAA COc1cc(C(=O)N[C@@H](C)Cn2cncn2)ccc1OC1CCN(C(C)=O)CC1 95526682 BGEXHCKXPGMROO-AWEZNQCLSA-N 401.467 1.495 0 50 HDAA Cc1sc2nc(CN3CCC(C)CC3)nc(N3C[C@@H](O)C[C@H]3C(N)=O)c2c1C 247841346 QCZIEHGDKWZQSQ-GJZGRUSLSA-N 403.552 1.965 0 50 HDAA CC(C)c1ccc(N2C[C@H](C(=O)N3CCC(NS(C)(=O)=O)CC3)CC2=O)cc1 828244726 HEUFTABYZODSSY-MRXNPFEDSA-N 407.536 1.703 0 50 HDAA Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1NC(=O)c1cccc(-n2cnnc2)c1 1506410038 RGDGRVKSVBTMQO-INIZCTEOSA-N 400.464 1.693 0 50 HDAA COc1cccc2c1OCCCN(C[C@H]1[C@H]3CN(S(C)(=O)=O)C[C@]34CC[C@H]1O4)C2 1704312979 CYURPKJSJQZJJB-XKGFGPFHSA-N 422.547 1.719 0 50 HDAA CC(=O)N1CCCc2cc(S(=O)(=O)N3CC[C@@]4(CO)CCCN(C)[C@@H]4C3)ccc21 1704342879 FOYGYLKFZCSCPU-NHCUHLMSSA-N 421.563 1.453 0 50 HDAA Cc1noc(C)c1-c1ccc(S(=O)(=O)N2C[C@@H]3CNC[C@@]3(CN(C)C)C2)s1 1772700735 DTBIYKXSHNBAHV-KBXCAEBGSA-N 410.565 1.792 0 50 HDAA O=C([C@@H]1CCOC1)N1CCC2(CCc3c2nc(-c2ccccc2)[nH]c3=NCCO)CC1 1857686363 SFTVCHKPPLENNP-GOSISDBHSA-N 422.529 1.813 0 50 HDAA Cc1nc(N2CCOCC2)sc1C(=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 1857740839 OVTHEEUMDHUBJN-LSDHHAIUSA-N 400.504 1.709 0 50 HDAA COc1ccc(OC[C@@H](O)CN(CCO)C[C@H](O)Cn2ccc3ccccc32)cc1 2710303 RDLCNKMHHWWUDK-PMACEKPBSA-N 414.502 1.745 0 50 HDAA NCCCC[C@H](N[C@@H](CCc1ccccc1)C(=O)O)C(=O)N1CCC[C@@H]1C(=O)O 3873144 RLAWWYSOJDYHDC-OKZBNKHCSA-N 405.495 1.235 0 50 HDAA biogenic COCCS(=O)(=O)c1ncc(CN2CCC(CCO)CC2)n1Cc1ccccc1 12298362 RYMBMIQUKLIWKB-UHFFFAOYSA-N 421.563 1.946 0 50 HDAA COc1cc(CNCCCn2ccnc2)ccc1OC[C@@H](O)CN1CCOCC1 12445260 PUONILIYFYUPTK-IBGZPJMESA-N 404.511 1.144 0 50 HDAA COC(=O)CC[C@H]1CN(Cc2ccc(O)c(OC)c2)CC[C@H]1N1CCN(C)CC1 20600070 YIUUHNJINPYPHL-RBUKOAKNSA-N 405.539 1.792 0 50 HDAA Cc1nnc(NS(=O)(=O)c2ccc3c(c2)CN(C(=O)[C@H]2CCCO2)CC3)s1 77407460 AAPHARDUIHHNPY-OAHLLOKOSA-N 408.505 1.711 0 50 HDAA Cc1cnc(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N3CC(c5cccnc5)C3)[C@@H]4C2=O)cn1 77470499 LOLCOOQTVSPLDG-GJPOJAMWSA-N 417.469 1.088 0 50 HDAA O=C(C[C@H]1N=C(O)N(Cc2ccccc2)C1=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 252536597 IXZDOIFJMAPYEF-FGTMMUONSA-N 420.469 1.509 0 50 HDAA COC(=O)c1cn(-c2ccc(C(=O)NCCC(=O)O)c(Cl)c2)cc2c(=O)[nH]nc1-2 253413696 VLVNHUBKDCGAJF-UHFFFAOYSA-N 418.793 1.310 0 50 HDAA Cc1nc(C(=O)NC[C@@H]2CN(CC3CCN(CC4CC4)CC3)C(=O)CO2)c(C)s1 299786018 OZNIOGDGOQLSSK-GOSISDBHSA-N 420.579 1.839 0 50 HDAA C[C@@H](Nc1cc(N[C@H](C)C2(S(C)(=O)=O)CC2)ncn1)C1(S(C)(=O)=O)CC1 328592897 IZIRWQZEGZCZEE-VXGBXAGGSA-N 402.542 1.232 0 50 HDAA CC(=O)N1C[C@@H](C(=O)N2CCC(S(=O)(=O)N3CCCC3)CC2)Oc2ccccc21 800655518 XZANXOAZTOHYFD-IBGZPJMESA-N 421.519 1.217 0 50 HDAA O=C(CN1CCN(c2ncccn2)CC1)N[C@H]1CCCN(Cc2ccccc2F)C1 827836010 QBAWWVCZEJMWII-IBGZPJMESA-N 412.513 1.519 0 50 HDAA CC(C)CN1CCN(c2ncnc3c2ncn3CC2(CO)CCOCC2)[C@@H](C)C1=O 888097094 AGGGJRJVUOYBGD-INIZCTEOSA-N 416.526 1.309 0 50 HDAA Cn1cc(N2CC[C@@H](NC(=O)C3(S(=O)(=O)c4ccc(Cl)cc4)CC3)C2)cn1 1318563596 WPJKIDZYMNVNGN-CQSZACIVSA-N 408.911 1.775 0 50 HDAA O=C(Cc1csc(-c2nc[nH]n2)n1)N1CC[C@H]2CN(C(=O)C(F)(F)F)C[C@H]2C1 1449481419 VHYIMPNYAQRCCA-VHSXEESVSA-N 414.413 1.340 0 50 HDAA COc1cc(CN2C[C@H](Cc3ccccn3)[C@@H](O)C2)cc(Cl)c1OCC(N)=O 1616068373 BBGHMHAQYRTVEA-YOEHRIQHSA-N 405.882 1.643 0 50 HDAA COc1ccc([C@@H]2[C@@H](CO)OCCN2C(=O)c2nn(C)c(C)c2Cl)cc1OC 1704349259 RLRVVPBDOXEWIK-CRAIPNDOSA-N 409.870 1.974 0 50 HDAA COc1ccccc1CNC(=O)CN1C[C@@H]2CN(Cc3nccs3)C[C@]2(CO)C1 1772809477 BWFJLALMBGMEMU-UTKZUKDTSA-N 416.547 1.194 0 50 HDAA Nc1ncccc1CNC(=O)[C@@H]1CC(=O)N(c2nnc(Cc3ccccc3)s2)C1 1857718867 XDEUQSNIOQJATJ-OAHLLOKOSA-N 408.487 1.775 0 50 HDAA COC(=O)c1ccccc1NC(=O)CSc1nnnn1-c1ccc(C(=O)O)cc1 1857799073 MWYZDVFJIQOAJX-UHFFFAOYSA-N 413.415 1.878 0 50 HDAA CCC1(NS(=O)(=O)c2cccc3c2CN([C@H]2CCC(=O)NC2=O)C3=O)CCCC1 2325898866 ANNJESXVVJAKCD-HNNXBMFYSA-N 419.503 1.449 0 50 HDAA COCCn1c(CN(Cc2nccn2C)C(C)C)cnc1S(=O)(=O)CC1CC1 12300680 UBITZSRPKZHFKC-UHFFFAOYSA-N 409.556 1.857 0 50 HDAA COc1cc(CNCCc2ccccn2)ccc1OC[C@@H](O)CN1CCOCC1 12308154 OFGNIVSQTSYCFB-FQEVSTJZSA-N 401.507 1.494 0 50 HDAA Cc1ccn(-c2ccc(N3CCN(S(=O)(=O)c4ccccc4F)CC3)nn2)n1 13009334 LPQHEMBUBUTGRR-UHFFFAOYSA-N 402.455 1.621 0 50 HDAA CCCN1C(=S)N(CCO)C(=O)/C1=C/C=C1/Oc2ccccc2N1CCC(=O)O 32169502 JOROOBAQOSGEII-CZLYJICFSA-N 417.487 1.917 0 50 HDAA CCN1CCN(Cc2c(C(=O)N3CCCN(C)CC3)nc3sccn23)[C@@H](C)C1=O 55228646 SGCGZRAJAFCIIJ-HNNXBMFYSA-N 418.567 1.226 0 50 HDAA O=C(Nc1ccc2c(c1)OCCO2)N1CCN(c2cc(-n3cccn3)ncn2)CC1 67604412 AUNVVJNYGNGUAV-UHFFFAOYSA-N 407.434 1.788 0 50 HDAA Cc1nc(S(=O)(=O)Nc2ccccc2S(C)(=O)=O)c(Br)n1C 319129890 WBBDVQXRKMTSES-UHFFFAOYSA-N 408.299 1.695 0 50 HDAA Cc1noc(C)c1NC(=O)c1ccc(S(=O)(=O)N2C[C@@H]3C[C@H]4C[C@H]3[C@@H]2[C@@H]4O)cc1 408521377 RAXGFPZTPPBLJE-DFXHGPDCSA-N 417.487 1.934 0 50 HDAA COC(=O)c1cccc(NC(=O)CN2C(=O)N[C@]3(C[C@@H](C)C[C@@H](C)C3)C2=O)c1O 436714653 URYKKSAHMBUIGX-OYHTYJOISA-N 403.435 1.864 0 50 HDAA COC[C@H]1CN(C(=O)c2cccc(S(=O)(=O)Nc3cc(C)on3)c2)C[C@H](C)O1 440177633 JADODRBEWJKRLL-DZGCQCFKSA-N 409.464 1.660 0 50 HDAA COc1ccc([C@]2(C(=O)N3CCC(N4CCN(CCO)CC4)CC3)CC2(C)C)cc1 952977019 ONORDAUPAXYPRP-DEOSSOPVSA-N 415.578 1.964 0 50 HDAA COC[C@H]1CCCN(S(=O)(=O)NCCn2nc(-c3ccccc3)ccc2=O)C1 1506416749 DYCGBPGHQFVMIP-INIZCTEOSA-N 406.508 1.103 0 50 HDAA O=C(CCCOCc1ccccc1)N1CCCN(C(=O)CN2CCOC2=O)CC1 1772712684 WMRCMHKIDFXMJJ-UHFFFAOYSA-N 403.479 1.497 0 50 HDAA Cc1cc(=O)c(O)c(C2(CC(=O)NCCNc3ncccn3)CCSCC2)o1 1776111209 GSGWFLHWKOPRNE-UHFFFAOYSA-N 404.492 1.827 0 50 HDAA O=C(CCn1cnnn1)N[C@H]1CC[C@@H](NC(=O)C2(N3CCCC3)CCCCC2)C1 1857683021 PHRVNYDFXOHJOK-DLBZAZTESA-N 403.531 1.015 0 50 HDAA Cc1cc(N)n(CC(=O)N2CCC[C@@]3(CCc4c(O)nc(-c5cccnc5)nc43)C2)n1 1857698501 VDYGLDCJDFAWAO-JOCHJYFZSA-N 419.489 1.838 0 50 HDAA Cn1ccc(N2CC[C@@H](NC(=O)c3ccc(NC(=O)c4ccc(O)nc4)cc3)C2=O)n1 1875259210 VANGRCWMJPUYKD-MRXNPFEDSA-N 420.429 1.308 0 50 HDAA COc1ccc(N(CCC(N)=O)C(=O)COC(=O)c2nc(C)n3ccccc23)cc1 1875260221 AGVIUGZDYORHJV-UHFFFAOYSA-N 410.430 1.717 0 50 HDAA CN(C)CCOCCC(=O)N[C@H]1C[C@H](N=c2[nH]c(Cl)nc3[nH]ccc23)C1(C)C 1875325959 IHJOOPBFMMERDD-KBPBESRZSA-N 408.934 1.697 0 50 HDAA COc1ccc([C@@H](CC(=O)NCCNC(C)=O)c2c(O)nc3ccccn3c2=O)cc1 2049511996 KAPRLBACLOKZIU-QGZVFWFLSA-N 424.457 1.183 0 50 HDAA CCOc1ccc(N2C(=O)C[C@H](NCCc3ccc(S(N)(=O)=O)cc3)C2=O)cc1 852358 BOVSQYFIDHBSEV-SFHVURJKSA-N 417.487 1.197 0 50 HDAA COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](NC(=O)OCc1ccccc1)[C@H](C)O 4764005 FOULQMVLUUSLJT-ZYSHUDEJSA-N 414.458 1.563 0 50 HDAA O=C(c1ccc(OC2CCN(Cc3ccccn3)CC2)cc1)N1CCN(CCO)CC1 12387711 FGEMMMPTMDWPEV-UHFFFAOYSA-N 424.545 1.875 0 50 HDAA O=C1NCCN(Cc2ccoc2)[C@@H]1CC(=O)N1CCN(Cc2cccs2)CC1 12430923 SJUDDUDFFKXVQB-GOSISDBHSA-N 402.520 1.376 0 50 HDAA COCCN(C)C(=O)c1sc2ncnc(NCCCN3CCOCC3)c2c1C 15071410 NMGBIBLGEIHEDM-UHFFFAOYSA-N 407.540 1.852 0 50 HDAA NC(=O)C1CCN(C(=O)C2CCN(S(=O)(=O)CCCc3ccccc3)CC2)CC1 16647607 UVGLCCUPIDIQOE-UHFFFAOYSA-N 421.563 1.385 0 50 HDAA CCN1CCN(C[C@@H](O)COc2cccc(CNCCc3c(C)n[nH]c3C)c2)CC1 19759106 FBTCILATNMBGMA-OAQYLSRUSA-N 415.582 1.736 0 50 HDAA NC(=O)[C@@H]1CCCN(C(=O)c2coc(CN3CCN(c4ccccc4F)CC3)n2)C1 55386470 IZJGBORDYCWALK-OAHLLOKOSA-N 415.469 1.473 0 50 HDAA O=C(N[C@H](O)C(Br)(Br)Br)c1cccnc1 71769939 QNOWWNRIKDQEAY-SSDOTTSWSA-N 402.868 1.968 0 50 HDAA Cn1c(=O)n(C)c2cc(NC(=O)CC[C@H]3NC(=O)c4ccccc4N=C3O)ccc21 252522935 BLWIVPUVSIWYJC-OAHLLOKOSA-N 407.430 1.996 0 50 HDAA COc1ccc(-c2cc(=NC(=O)c3cccnc3)n([C@@H]3CCS(=O)(=O)C3)[nH]2)cc1 334158434 NUBIMOBXWWIUPE-MRXNPFEDSA-N 412.471 1.988 0 50 HDAA COc1ccc(CN(C)C(=O)CCN(C)[C@@H]2CCS(=O)(=O)C2)c2cccnc12 824645601 YGGWMASYKYIORZ-MRXNPFEDSA-N 405.520 1.711 0 50 HDAA O=C(Cn1ccc(=O)c2ccccc21)Nc1ccc(OCC(=O)N2CCOCC2)cc1 827860978 VTVRPBBWXYKLPY-UHFFFAOYSA-N 421.453 1.878 0 50 HDAA CS(=O)(=O)N1CCO[C@H](CNC(=O)c2ccc(CSc3ccccn3)cc2)C1 952984880 OKEWRWXUARDRJW-QGZVFWFLSA-N 421.544 1.764 0 50 HDAA CC(C)c1nnc(N2C[C@@H](C(=O)N3CCC4(CCC(=O)N(C)C4)CC3)CC2=O)s1 1857725521 ZZKDLRUMPUWPCS-AWEZNQCLSA-N 419.551 1.875 0 50 HDAA Cc1cc(C(=O)N2CCC3(CCc4c(O)nc(N5CCOCC5)nc43)CC2)nc(C)n1 1857732851 KGDABYMPRFXFFT-UHFFFAOYSA-N 424.505 1.546 0 50 HDAA O=C(CN1CCOCC1)NC[C@@H]1[C@@H](c2ccccc2)[C@]12CN(C1CCCC1)C[C@@H]2O 2356136851 MIODHCBHMYTMJV-CBJLPSGESA-N 413.562 1.454 0 50 HDAA CNS(=O)(=O)c1ccc(CCC(=O)N2CCN(c3ccccc3OC)CC2)cc1 4998485 PDVWWCCULISYCV-UHFFFAOYSA-N 417.531 1.885 0 50 HDAA O=C(CSc1nc(O)cc(=O)[nH]1)Nc1ccc(I)cc1 10059419 JRSRXIBKSAFPJN-UHFFFAOYSA-N 403.201 1.811 0 50 HDAA O=C1C[C@H](c2ccc(S(=O)(=O)N3CCN(c4ccccc4F)CC3)cc2)CN1 12375638 FNYZFMIBYQALMY-INIZCTEOSA-N 403.479 1.940 0 50 HDAA COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NCCn2nc(C)cc2C)c(F)c1 12431593 AEDBBGZYIRHFLK-IBGZPJMESA-N 417.485 1.155 0 50 HDAA Cc1c(S(=O)(=O)N2CCN(Cc3cccc(Br)c3)CC2)cnn1C 13961288 FTKSTEFVTAKSJI-UHFFFAOYSA-N 413.341 1.998 0 50 HDAA OCCN(CCO)Cc1ccc(OC[C@@H](O)CN2CCc3ccccc3C2)cc1 20515470 GBXSCAXCOMKNAT-QFIPXVFZSA-N 400.519 1.271 0 50 HDAA O=C(NC[C@H]1CCS(=O)(=O)C1)c1coc(COc2cccc3cccnc23)n1 67642311 GGBCYQSOKJYEMR-CYBMUJFWSA-N 401.444 1.966 0 50 HDAA O=C(Nc1ccc(N2CCCS2(=O)=O)cc1)[C@@H](Cc1ccccc1)n1cnnn1 223242880 LIMYPWUQIVJJHK-GOSISDBHSA-N 412.475 1.636 0 50 HDAA CN1CCN(c2cnn([C@@H]3CCCN(Cc4cccc5nccn45)C3)c(=O)c2)CC1 328607361 VWDYKJMWDBIUPD-LJQANCHMSA-N 407.522 1.480 0 50 HDAA Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1NC(=O)CN1CCOc2ccccc2C1 1529111940 BXXRYGOBEYQVEI-QGZVFWFLSA-N 418.519 1.693 0 50 HDAA O=C([C@H]1CCc2sc(N3CCOCC3)nc2C1)N1CCc2c(O)ncnc2C1 1772819926 XTLICGYWXBBCNA-LBPRGKRZSA-N 401.492 1.165 0 50 HDAA COCCn1ccnc1CN1C[C@H]2CN(c3cnccn3)C[C@]2(CCC(=O)O)C1 1857690896 UDFCCBMHVNRJQT-JXFKEZNVSA-N 400.483 1.123 0 50 HDAA COc1ccc(CCCC(=O)N[C@H]2C[C@H]3CO[C@@H](CC(=O)N(C)C)CN3C2)cc1 1857721347 LAKCQJAUWXXALF-BJLQDIEVSA-N 403.523 1.454 0 50 HDAA O=C([C@H]1CCOC1)N1CCC[C@](Cc2cn(CCc3ccccc3)nn2)(C(=O)O)C1 1875324505 BCHWIJPRYBXVEF-PGRDOPGGSA-N 412.490 1.793 0 50 HDAA N[C@H](C(=O)N1CCC(C(=O)Nc2ccc(Br)cc2)CC1)C1(O)CCC1 2325850668 FCWQFCLRSZCFMS-OAHLLOKOSA-N 410.312 1.869 0 50 HDAA Cc1cccc(S(=O)(=O)Nc2ccc3c(c2)CN([C@@H]2CCC(=O)NC2=O)C3=O)c1 2325897034 MSGIMIUTQKVWSI-QGZVFWFLSA-N 413.455 1.557 0 50 HDAA O=C(CCc1nc(Cl)n[nH]1)N1CCC[C@]12CCCN(Cc1ccccn1)C2=O 2356140460 JUZGBYQRMRSOSL-IBGZPJMESA-N 402.886 1.970 0 50 HDAA CCOC(=O)N1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)CC1 4807147 MNYGOWWLHKBCNU-INIZCTEOSA-N 409.508 1.388 0 50 HDAA COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)c1sc(C)nc1C)CC2 95497304 MERKBGQUJYOZPF-UHFFFAOYSA-N 403.508 1.646 0 50 HDAA COC(=O)[C@H]1CN(C(=O)Cn2c(=O)[nH]c3ccccc3c2=O)C[C@H]1c1ccsc1 170601216 RFRGQJYVNNQJMZ-GJZGRUSLSA-N 413.455 1.167 0 50 HDAA CC[C@H](C)N1C(=O)[C@H]2[C@H](C1=O)[C@@]1(N[C@H]2[C@H](C)O)C(=O)Nc2c1ccc(Cl)c2C 245256324 OWTVRJFUUJRVCS-LAIFLBIKSA-N 405.882 1.548 0 50 HDAA Cc1ccn2c(CN3CCC[C@@H](n4ncc(N5CC[C@H](O)C5)cc4=O)C3)cnc2c1 328608547 ZNKWRIZRGNVZIS-XLIONFOSSA-N 408.506 1.608 0 50 HDAA CN(CC[C@H]1CCCCN1C)c1ncnc2c1ncn2CC1(CO)CCOCC1 888097675 MNMUVXRMCCEJDA-QGZVFWFLSA-N 402.543 1.926 0 50 HDAA CCN1Cc2ccccc2C[C@H]1C(=O)N1CCc2c(C(=O)O)c(O)cc(=O)n2CC1 952985596 IMJILSUOZQKHNL-KRWDZBQOSA-N 411.458 1.084 0 50 HDAA Cc1noc(C)c1CCC(=O)NC[C@@H]1CCCN(C(=O)Cn2ccc(=O)cc2)C1 1506430940 ZWERRMBCYZSFFI-KRWDZBQOSA-N 400.479 1.441 0 50 HDAA CS(=O)(=O)NCCC(=O)N1CCC[C@@]2(CCc3cnc(-c4ccccc4)nc32)C1 1704301255 REVOUGPTQRGZKX-OAQYLSRUSA-N 414.531 1.889 0 50 HDAA O=C(N[C@@H]1CN2CCCC[C@@]2(C(=O)NCCCO)C1)c1ccc2c(c1)CCCO2 1875248345 LRWYJWGZNRWKIF-AVRDEDQJSA-N 401.507 1.237 0 50 HDAA CC(C)(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N=c1nc[nH]n1-c1ncccn1 1875316100 UVUQXXSSEBVTHX-UHFFFAOYSA-N 420.260 1.933 0 50 HDAA O=C1CC[C@H](N2Cc3c(cccc3-n3cc(C[C@@H]4CCCCO4)nn3)C2=O)C(=O)N1 1875355943 HLESNTCHRGCYHW-KSSFIOAISA-N 409.446 1.140 0 50 HDAA O=C(c1cc2c(s1)C1(CCNCC1)OCC2)N1CC[C@H](O)[C@@]2(CCCNC2=O)C1 2356145090 ADWCVPQITSJINB-OXJNMPFZSA-N 419.547 1.003 0 50 HDAA O=S(=O)(N1CCOCC1)N1C[C@@H]2C[C@H](C1)[C@@H]1CCCCN1[C@H]2Cc1ccccc1 2356161408 URRKWRHTUZYUKZ-MLNNCEHLSA-N 419.591 1.981 0 50 HDAA Cn1c(=O)c2c(nc(N3CCOCC3)n2Cc2cccc3ccccc23)n(C)c1=O 796264 BITFBKBPTVEDPS-UHFFFAOYSA-N 405.458 1.472 0 50 HDAA C[C@@H](NC(=O)C1(N(C)CCc2ccccc2)Cc2ccccc2C1)c1n[nH]c(=O)[nH]1 11879710 IYTQWXVYMKZRPI-MRXNPFEDSA-N 405.502 1.987 0 50 HDAA CC[C@H](C)C(=O)NCc1nnc2n1CCN(C(=O)Cc1cccc(F)c1F)CC2 12279905 TZQQQBGKUVMCIL-ZDUSSCGKSA-N 405.449 1.846 0 50 HDAA CCS(=O)(=O)c1ncc(CN2CCC[C@@H](CN3CCCC3=O)C2)n1CCOC 12302806 GGQPORBXZDMWAD-MRXNPFEDSA-N 412.556 1.158 0 50 HDAA CCN(Cc1ccncc1)C(=O)C[C@H]1C(=O)NCCN1Cc1ccc(OC)cc1F 12441600 IIECCZOUVIYUGL-FQEVSTJZSA-N 414.481 1.969 0 50 HDAA COCCN(CC1CCN(Cc2ccccc2OC)CC1)C(=O)C1=NNC(=O)CC1 12711319 GDXUHZHZIAFKJT-UHFFFAOYSA-N 416.522 1.648 0 50 HDAA CCOC(=O)c1csc(CCNC(=O)c2cn(CCN3CCCCC3)nn2)n1 15078971 OSJVKUXJTAUFIB-UHFFFAOYSA-N 406.512 1.370 0 50 HDAA CN(C)[C@@H]1CCN(CCCN2CC3(CCN(C(=O)c4ccccn4)CC3)OC2=O)C1 77406917 SMYXMOUSSFOLKC-GOSISDBHSA-N 415.538 1.535 0 50 HDAA O=C(CN1CCC[C@@H](n2ncc(N3CC[C@H](O)C3)cc2=O)C1)OCc1ccccc1 328605427 NOOVKJZWRGVPPO-QUCCMNQESA-N 412.490 1.195 0 50 HDAA CO[C@@H]1CC[C@H]2OCCN(c3ncnc4c3ncn4CC3(CO)CCOCC3)[C@@H]2C1 888097589 KQDJHUNOTBRZPI-BRWVUGGUSA-N 417.510 1.388 0 50 HDAA CC(C(=O)N1CCC(=O)NCCN(c2c(C)c(C)nc3ncnn23)CC1)=C1CCC1 952881084 QDGGEBRFYGJEOM-UHFFFAOYSA-N 411.510 1.396 0 50 HDAA Cc1n[nH]c(C)c1CN1CCC2(CC1)CC(=O)N(CC[C@@H]1COCCO1)CCO2 1857671016 LCOWIYGAQUGHSC-GOSISDBHSA-N 406.527 1.416 0 50 HDAA CCc1ccc(C(=O)N2C[C@@H]3COC[C@]3(C(=O)NCCn3ccc(C)n3)C2)s1 1857704339 OKNXNEXECNLYTN-FOIQADDNSA-N 402.520 1.720 0 50 HDAA Cc1cccc(CN2CCOC3(CCN(C(=O)[C@@H]4CCCCN4C)CC3)CC2=O)n1 1857707523 VQELGNBUQNOZNU-FQEVSTJZSA-N 414.550 1.984 0 50 HDAA O=C(NC[C@H]1[C@H]2CN(C(=O)CCc3cnccn3)C[C@]23CC[C@H]1O3)c1cccs1 1857725426 WMOHUSAZBUZRDK-BIZBXSGISA-N 412.515 1.907 0 50 HDAA CCOc1ccccc1NC(=O)N1CCC(OC)(C(=O)NCc2ncon2)CC1 1857731040 INKYESMAHJVJKR-UHFFFAOYSA-N 403.439 1.798 0 50 HDAA CCN1C[C@H](C(=O)N2CCCC[C@@H](NC(=O)c3c(F)ccc(N)c3F)C2)CCC1=O 2325864776 ZPMCDMYICUGZJG-ZIAGYGMSSA-N 422.476 1.916 0 50 HDAA C[C@]1(O)CC2(CCN(C(=O)C3(Cc4ccc(Cl)cc4)CNC3)CC2)OC[C@@H]1O 2356155598 JMLKGYUJUGYMAD-HKUYNNGSSA-N 408.926 1.366 0 50 HDAA O=c1c2cc3c(=O)n(-c4cccc(O)c4)c(=O)c3cc2c(=O)n1-c1cccc(O)c1 910462 MXQCWTDIPQPHPY-UHFFFAOYSA-N 400.346 1.302 0 50 HDAA CCOC(=O)C1=C(C)N=c2s/c(=C\c3cnn(C)c3)c(=O)n2[C@H]1c1ccccc1 1003078 AYYLKSPWNLDZCF-FJJYYWMZSA-N 408.483 1.532 0 50 HDAA Cc1csc(SCCn2c(Br)nc3c2c(=O)[nH]c(=O)n3C)n1 1247554 GCCFEKMWKNARSF-UHFFFAOYSA-N 402.299 1.743 0 50 HDAA CCOC(=O)CCN[C@H]1CCc2c(c(C(=O)N3CCOCC3)nn2CC(C)C)C1 14740749 FFUGIJIENWZGQA-INIZCTEOSA-N 406.527 1.412 0 50 HDAA COc1cc(C)c(Br)cc1S(=O)(=O)NCCCN1CCOCC1 19891012 QZHFCBOPGSUHPH-UHFFFAOYSA-N 407.330 1.767 0 50 HDAA CC[C@H](C(=O)N1CCN(Cc2ccccc2)CC1)n1c(=O)[nH]c2ccccc2c1=O 20412118 IZPXPVWEMSOMDW-HXUWFJFHSA-N 406.486 1.985 0 50 HDAA COc1ccc(CC(=O)N2CCN(c3cc(N4CCN(C)CC4)nc(C)n3)CC2)cc1 67622631 JBFRAYKSPRRBSJ-UHFFFAOYSA-N 424.549 1.437 0 50 HDAA CNC(=S)N(Cc1ccco1)[C@H]1CC(=O)N(c2ccc(C(=O)OC)cc2)C1=O 100284513 GAJHCWSPTXTEFT-HNNXBMFYSA-N 401.444 1.705 0 50 HDAA CCCCNC(=O)c1ccc(CN2C(=O)NC3(CCS(=O)(=O)CC3)C2=O)cc1 169772504 CBQLYUZWAGJWCY-UHFFFAOYSA-N 407.492 1.216 0 50 HDAA Cc1ccccc1C[C@H](C)N(C)C(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 225564142 JDGTXDORCPRNJP-DOTOQJQBSA-N 405.520 1.550 0 50 HDAA CCCNC(=O)[C@H]1CN(S(=O)(=O)c2cnc(NC(C)=O)s2)c2ccccc2O1 225797076 USEOZOCORUKMSR-CQSZACIVSA-N 424.504 1.584 0 50 HDAA Cc1n[nH]c(CN2CCC(N3C[C@H](COc4ccc(F)cc4)OCC3=O)CC2)n1 299758123 CQZSVGXGNKZUSS-GOSISDBHSA-N 403.458 1.523 0 50 HDAA CN1C[C@H]2CN(c3cc4c(nn3)CCN(C(=O)[C@@H]3CCC[C@@H](N(C)C)C3)C4)C[C@H]2C1 952890817 JHMHNCPXGCCJDB-RSPOEFSDSA-N 412.582 1.480 0 50 HDAA CCN(CC)Cc1cc(CN2CC[C@H](N3CCC(O)CC3)[C@@H](O)C2)ccc1OC 1565514062 MIQBHJJRQDLVFR-VXKWHMMOSA-N 405.583 1.929 0 50 HDAA C[C@@]1(O)CCOC2(CCN(C(=O)c3ccc(C(=O)N4CCOCC4)cc3)CC2)C1 1704337116 VVLSGPMTOKWNRU-OAQYLSRUSA-N 402.491 1.695 0 50 HDAA O=C(O)[C@@]1(Cc2ccccc2)CN(S(=O)(=O)c2ccc3nc[nH]c3c2)CC[C@@H]1O 1704342375 OKCRKBKBOJZYOI-ICSRJNTNSA-N 415.471 1.632 0 50 HDAA CCCO[C@@H]1CC[C@H](C(=O)N2C[C@H]3COC[C@H]3C2)C[C@H]1NC(=O)c1cnccn1 1857683413 SOWOGPOWIWPXPD-DOEOUOAPSA-N 402.495 1.275 0 50 HDAA CN(C)C(=O)C[C@H]1CN2C[C@H](NC3CCN(Cc4ccccc4)CC3)C[C@H]2CO1 1857716446 MQZQVQXBYWBVDW-FSSWDIPSSA-N 400.567 1.561 0 50 HDAA CN(C)C(=O)c1ccc2c(c1)N(C)[C@H](CC(=O)N[C@H]1CC[C@@H](C(=O)O)CC1)CO2 2100482850 CNSBQSNTVQPONH-VNQPRFMTSA-N 403.479 1.735 0 50 HDAA O=C(Cn1cccn1)NC[C@@H]1[C@@H](c2ccccc2)[C@]12CN(c1cnccn1)C[C@@H]2O 2100544820 KTRJYMIMSYICDW-GMQQQROESA-N 404.474 1.070 0 50 HDAA CCCc1c(C(=O)N2CCN(C(=O)COc3ccsn3)C[C@H]2C)nnn1CC 2325828522 JSAOSOUSUSOIAH-CYBMUJFWSA-N 406.512 1.459 0 50 HDAA CN(Cc1ccccc1CNC(=O)[C@H]1C[C@@H](n2cnnc2)C1)C(=O)C[C@H]1CCOC1 2325872808 NQEJTTDHJBJKOQ-AHRSYUTCSA-N 411.506 1.931 0 50 HDAA NCCc1ccc(NC(=O)c2cccc3c2CN([C@H]2CCC(=O)NC2=O)C3=O)cc1 2325895894 LXYLXLJNIVEGHJ-SFHVURJKSA-N 406.442 1.201 0 50 HDAA O=C1CC[C@H](N2Cc3cc(NC(=O)N4CCCc5ncccc54)ccc3C2=O)C(=O)N1 2325901401 DDZTVLGFJWIJIJ-SFHVURJKSA-N 419.441 1.827 0 50 HDAA CCOC(=O)C1=C(N)N2C(=O)[C@H](C)SC2=C(C(=O)OCC)[C@@H]1c1ccc(O)cc1 1076531 BXZKMYPJYDCNQH-GXFFZTMASA-N 418.471 1.961 0 50 HDAA O=C(Nc1c[nH]c(=O)[nH]c1=O)c1ccc2c(c1)C(=O)N(c1ccc(Cl)cc1)C2=O 1209477 QATXANRMHWJHMQ-UHFFFAOYSA-N 410.773 1.770 0 50 HDAA COc1ccc(NC(=S)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cn1 1426651 FQUXMCQJFLOXLH-UHFFFAOYSA-N 408.505 1.920 0 50 HDAA CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccccn3)CC2)N[C@@H]1c1ccccc1 9049233 PPHWWJCJQDCCCJ-RTBURBONSA-N 407.474 1.610 0 50 HDAA COC(=O)[C@H]1CCCCN1C(=O)c1ccccc1OC1CCN(S(C)(=O)=O)CC1 12703465 ZUGFPHKGJOCHII-QGZVFWFLSA-N 424.519 1.657 0 50 HDAA CN1CCC(N2CCN(Cc3cnn(-c4ccccc4F)c3)C[C@@H]2CCO)CC1 20998556 FHWOMFKNLHCRNF-FQEVSTJZSA-N 401.530 1.974 0 50 HDAA COc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(OC)cc2)C(=O)O)cc1 21299503 KWWCVCFQHGKOMI-HOTGVXAUSA-N 418.354 1.624 0 50 HDAA in-vitro Cc1ccc(N([C@@H](C)C(=O)N2CCC(C(N)=O)CC2)S(C)(=O)=O)cc1Cl 65362304 LRGVZTLILUEZGM-LBPRGKRZSA-N 401.916 1.527 0 50 HDAA CN(Cc1ccon1)C(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(c4ccc(CCO)cc4)C(=O)[C@H]13)O2 77470014 CCYMHXAZJLDZNJ-OZIGNCPNSA-N 409.442 1.154 0 50 HDAA COC(=O)C1(NC(=O)c2cccc(OC[C@@H]3CCCO3)c2)CCS(=O)(=O)CC1 240444239 FWUYTXOZGASWQT-INIZCTEOSA-N 411.476 1.095 0 50 HDAA COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N(C)[C@H]3CCCC[C@@H]3O)C2)cc1 243932136 BTHVEGRRLOFDSG-SNRMKQJTSA-N 410.536 1.858 0 50 HDAA COCCc1noc(CN2C(=O)N[C@H](c3ccc(OC)cc3)C3=C2COC3=O)n1 263619336 YERVJXRMVPJMNV-QGZVFWFLSA-N 400.391 1.345 0 50 HDAA CNS(=O)(=O)C[C@@H]1CCCN1C(=O)[C@H](CC(C)C)N1C(=O)c2ccccc2C1=O 488790855 XPTZKLNHLSWZDS-YOEHRIQHSA-N 421.519 1.238 0 50 HDAA COc1ccc(-c2ccc(C(=O)NCCS(=O)(=O)N3CCOCC3)c(F)c2)cc1 730177520 NHAWNUAIDMSLHJ-UHFFFAOYSA-N 422.478 1.893 0 50 HDAA O=C(NCCn1nc(-c2ccccc2)ccc1=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1 827695987 HJEGFNNUEQBPJF-GOSISDBHSA-N 417.469 1.470 0 50 HDAA Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1NC(=O)c1cccc(-n2cnnc2)c1 1506410039 RGDGRVKSVBTMQO-MRXNPFEDSA-N 400.464 1.693 0 50 HDAA O=C(CCc1n[nH]c2c1CCCC2)N1CCCN(S(=O)(=O)N2CCCC2)CC1 1506417593 RUKZRSBASJFOSE-UHFFFAOYSA-N 409.556 1.096 0 50 HDAA CSCC(=O)N1C[C@H]2CN(c3cc(C)nc(-c4ccccc4O)n3)C[C@]2(CO)C1 1772806494 YSYHRXDEAUCOAG-QVKFZJNVSA-N 414.531 1.778 0 50 HDAA CN(C)S(=O)(=O)N1C[C@H]2CN(Cc3ccc(Cl)cc3)C[C@@]2(CCC(=O)O)C1 1772817284 AYEGPYPCMNDBBU-QAPCUYQASA-N 415.943 1.745 0 50 HDAA CCCc1nnc(N2C[C@H](C(=O)NCCc3cn4ccsc4n3)CC2=O)s1 1857668142 HMSNKQNIKOVTTP-LLVKDONJSA-N 404.521 1.912 0 50 HDAA CCC(CC)(CNC(=O)c1ccc2c(c1)CN([C@H]1CCC(=O)NC1=O)C2=O)C(=O)O 2325895605 FFJZMWZYTSALTE-HNNXBMFYSA-N 415.446 1.068 0 50 HDAA CN(C(=O)CCCn1nnc(-c2ccc(F)cc2)n1)[C@@H]1C[C@@H]2CNC(=O)C[C@@H]2C1 2356144047 HKHRFOWAPHIZLU-UXLLHSPISA-N 400.458 1.633 0 50 HDAA CCCN1C(=O)/C(=c2\sc3nc(=O)c(-c4ccccc4)nn3c2=O)c2ccccc21 2695449 PWMGASKXBNKEJJ-VLGSPTGOSA-N 416.462 1.853 0 50 HDAA CC(=O)NCCNC(=O)C1CCN(C2CCN(Cc3ccccc3C)CC2)CC1 15065223 HMAKLACHYLQHDC-UHFFFAOYSA-N 400.567 1.924 0 50 HDAA Nc1ncc(CN2CCC[C@@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)cn1 20325173 BQABYQVYJGMYCY-LJQANCHMSA-N 410.522 1.570 0 50 HDAA Cc1c[nH]c(C(=O)N2CCc3ccc(S(=O)(=O)NC[C@H]4CCCO4)cc3C2)c1 77517553 MCHXZFPVLACZJA-QGZVFWFLSA-N 403.504 1.979 0 50 HDAA COCCOCCC(=O)N[C@@H]1CCN([C@H](C(=O)OC(C)(C)C)c2ccccc2)C1=O 170608634 YSSZIZYYMOPPKW-MJGOQNOKSA-N 420.506 1.840 0 50 HDAA COc1ccc(CN2C(=O)N[C@H](CC(=O)NCC3CCOCC3)C2=O)cc1OC 206240022 RVQINQZUAZDLJI-OAHLLOKOSA-N 405.451 1.057 0 50 HDAA Cc1nc(C(=O)NC[C@H]2CN(CC3CCN(CC4CC4)CC3)C(=O)CO2)cs1 299781912 LYCXRYYSCCIIEX-KRWDZBQOSA-N 406.552 1.531 0 50 HDAA CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)Cn1[nH]cc2c(=O)ncnc1-2 730534269 ULGQCZUBXRLJOK-UHFFFAOYSA-N 422.411 1.680 0 50 HDAA CC(C)c1cc(C(=O)NC23C[C@@H]4C[C@H](C2)CC(n2ncnn2)(C4)C3)nc2ncnn12 828215526 GJXDHHPVCMENPG-LWYUSKRHSA-N 407.482 1.712 0 50 HDAA COCCN1C[C@@H](C(=O)N2CCC3(CC2)OCCc2cc(OC)ccc23)CCC1=O 1704338640 WROZBRCPGZACHO-SFHVURJKSA-N 416.518 1.971 0 50 HDAA O=C(c1cnc(N2CCOCC2)nc1)N1C[C@@H](O)[C@H](Cc2ccc3ccccc3n2)C1 1704356959 MXKDHRKNIHDCRF-DYESRHJHSA-N 419.485 1.537 0 50 HDAA CS(=O)(=O)CCN1C[C@@H]2CN(Cc3ncc[nH]3)C[C@]2(CCc2ccccc2)C1 1772816541 UHLUYARLFHZLAM-CTNGQTDRSA-N 402.564 1.821 0 50 HDAA CCOc1ccc2nc(N3C[C@H](C(=O)NCCN4CCOCC4)CC3=O)sc2c1 1857710590 GCCRBQVVBHBZFS-CQSZACIVSA-N 418.519 1.496 0 50 HDAA COc1cccc(C(=O)N2CCC(C(=O)N[C@@H]3C[C@H]4CO[C@H](C)CN4C3)CC2)c1 1857726726 APIVBQNPYIOHBC-LZQZEXGQSA-N 401.507 1.525 0 50 HDAA CCOC(=O)CS(=O)(=O)NC(=O)c1ccc2c(c1)ncn2Cc1ccccc1 1875333162 FTZAGANHOYJSGF-UHFFFAOYSA-N 401.444 1.707 0 50 HDAA O=C1CC[C@H](N2Cc3ccc(-n4cc(CNc5nccs5)nn4)cc3C2=O)C(=O)N1 1875355109 AIRSKZAPGVWRJK-HNNXBMFYSA-N 423.458 1.097 0 50 HDAA O=C(NC[C@H]1CN(C2CC2)CCO1)c1cncnc1N1CC[C@H](C2CCOCC2)C1 1875360488 BGJVCKWVYQRIBX-HKUYNNGSSA-N 415.538 1.323 0 50 HDAA CCn1c(O)nc2cc(C(=O)N[C@@H]3CCN(c4cccc(C)c4)C3=O)ccc2c1=O 2325865146 OZXIMRLCOTUYPN-QGZVFWFLSA-N 406.442 1.966 0 50 HDAA COc1cc(C(=O)Nc2ccc(S(=O)(=O)NC(C)=O)cc2)cc(OC)c1OC 655517 BAXHJFVSNBVLLR-UHFFFAOYSA-N 408.432 1.790 0 50 HDAA O=C(CN1C(=O)[C@@H]2C=CC=C[C@H]2C1=O)OCC(=O)c1ccc(Br)cc1 1264183 PPCRDERFHPIULC-ZIAGYGMSSA-N 404.216 1.902 0 50 HDAA CSc1nnc(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)s1 2700603 RUHWYKVBLOMJKV-UHFFFAOYSA-N 414.534 1.842 0 50 HDAA CCOC(=O)C[C@H]1COCCN1C(=O)c1cn(Cc2ccc(F)cc2Cl)nn1 11703278 HSFPLAVLWOMZKB-AWEZNQCLSA-N 410.833 1.913 0 50 HDAA CC(C)[C@@H](NS(C)(=O)=O)c1nnc2n1CCN(Cc1ccc(F)c(F)c1)CC2 12127173 DCEOLFDNGDZJIP-QGZVFWFLSA-N 413.494 1.861 0 50 HDAA COc1cccc(N2C(=O)CN(C(=O)[C@H]3CC(=O)N(Cc4ccccn4)C3)C[C@@H]2C)c1 12151728 XAZGPJWDMNSSMT-IRXDYDNUSA-N 422.485 1.703 0 50 HDAA COc1ccc(CCCNC(=O)[C@@H]2CCC(=O)N(CCCN3CCCC3=O)C2)cc1 12373020 WXHDVOAZQQULRT-LJQANCHMSA-N 415.534 1.995 0 50 HDAA O[C@@H]1CN(Cc2ccc3c(c2)OCCO3)CC[C@H]1N1CCN(c2ccccn2)CC1 19224713 VUZGEROYXXIJCY-WOJBJXKFSA-N 410.518 1.610 0 50 HDAA CCN(CC)C(=O)Cn1cc(C(=O)N2CCN(Cc3ccccc3OC)CC2)nn1 23128913 XBJARVSFYQHTAP-UHFFFAOYSA-N 414.510 1.113 0 50 HDAA CCOC(=O)N1CCN([C@H]2CCCN(C(=O)c3c4c(nn3C)CCCC4)C2)CC1 55153727 SYXPLTYPLSJIDY-INIZCTEOSA-N 403.527 1.678 0 50 HDAA O=C([C@@H]1[C@@H]2C=C[C@@]3(CN(c4ccc(F)cc4)C(=O)[C@H]13)O2)N1CCCn2cncc2C1 77342348 JMWSNMIASIOHTK-WEMPKCCASA-N 408.433 1.741 0 50 HDAA CN(Cc1ccccn1)C(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(c4ccc(CCO)cc4)C(=O)[C@H]13)O2 77406953 LRZFSNQLEDXJKH-CIEVZJJWSA-N 419.481 1.561 0 50 HDAA CC(C)N(C)CC(=O)N1CCC(N2CCC[C@H](C(=O)NCc3ccccn3)C2)CC1 82136953 NTTSFIPXKPZZBP-IBGZPJMESA-N 415.582 1.741 0 50 HDAA CN1CC[C@H](N2CCC(NC(=O)c3cccc(NC(=O)[C@@H]4CCCO4)c3)CC2)C1=O 239762182 CLDUQPPFUHJNKE-OALUTQOASA-N 414.506 1.229 0 50 HDAA O=C(Cc1ccc(O)cc1)NC[C@H]1CN(CC2CCN(CC3CC3)CC2)C(=O)CO1 299801521 YZJYHPBEAYHBOW-NRFANRHFSA-N 415.534 1.400 0 50 HDAA CC(C)c1ccc(N2C(=O)N[C@H](CCC(=O)NCCS(=O)(=O)N(C)C)C2=O)cc1 409414210 IIVYRMLTAWGDSY-MRXNPFEDSA-N 424.523 1.023 0 50 HDAA COCCNC(=O)[C@@]12CCCN(Cc3ccc4c(c3)OCCO4)[C@H]1CN(C)CC2 1857683436 TZIAGKMXJWAMAU-RBBKRZOGSA-N 403.523 1.507 0 50 HDAA Cn1nc(C(=O)N2CC[C@@H](O)[C@@](CO)(Cc3ccccc3)C2)c2ccccc2c1=O 1857717876 CPDAGPDUFBTJCO-XXBNENTESA-N 407.470 1.362 0 50 HDAA CCOC(=O)c1[nH]cnc1C(=O)N1CC[C@@]23O[C@@H](c4ccccc4)CN2C(=O)C[C@@H]13 1857731901 SSBOUMVHQWBCMX-PZPWOCDFSA-N 410.430 1.501 0 50 HDAA O=C1CCO[C@H]2CN(Cc3cc(=O)n4ccsc4n3)C[C@@H]2N1Cc1ccccc1 1875251520 QULPVIPDLWLDEU-ROUUACIJSA-N 410.499 1.758 0 50 HDAA COC(=O)[C@@H]1C[C@H](O)CN(C(=O)[C@@]2(NC(=O)OC(C)(C)C)CCOC(C)(C)C2)C1 1875306223 XSPUHQSQHBCHQP-LAPQFRIASA-N 414.499 1.221 0 50 HDAA COCc1ccoc1C(=O)NCC1(OC)CN(C(=O)C[C@@H]2CSCCS2)C1 1875345654 FDLOBKVQXANSLA-CQSZACIVSA-N 414.549 1.622 0 50 HDAA CN(C)[C@H](C(=O)N1CCCN(C(=O)[C@H](c2cccnc2)N(C)C)CC1)c1cccnc1 2325744017 WDKMKBJEYIMTGY-SFTDATJTSA-N 424.549 1.443 0 50 HDAA CC(C)(C)OC(=O)N1CCC[C@H](c2c[nH]nc2C(=O)NCc2cc(O)nc(O)n2)C1 2325878291 KEOLCDHHXJXLGN-NSHDSACASA-N 418.454 1.655 0 50 HDAA O=C(/C=C/c1cccs1)NCc1ccc2c(c1)C(=O)N([C@@H]1CCC(=O)NC1=O)C2 2325887033 RAUWMXKUJGGKED-QQOXCAACSA-N 409.467 1.839 0 50 HDAA Cc1c(CN2CCC3(CC2)OCC[C@@](C)(O)[C@@H]3O)c(=O)n(-c2ccccc2)n1C 2356155156 ZLESPNBTXCUOHZ-LEWJYISDSA-N 401.507 1.351 0 50 HDAA CCOc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NCCOc2cccnc2)cc1 11662459 YQHKVAKWFIPUGJ-HXUWFJFHSA-N 412.490 1.366 0 50 HDAA COc1cc(C(=O)N2CCN(c3ncccn3)CC2)ccc1OC1CCN(C)CC1 11843106 BMBGETZEUARLBM-UHFFFAOYSA-N 411.506 1.921 0 50 HDAA COc1ccc(OC[C@@H](O)CN(CCO)C[C@@H](O)Cn2ccc3ccccc32)cc1 12080506 RDLCNKMHHWWUDK-UXHICEINSA-N 414.502 1.745 0 50 HDAA CCOC(=O)CCNC(=O)C[C@@]1(c2ccccc2C)CC(=O)N(CCCOC)C1=O 12097194 SYBVUCSOTXJWAO-QFIPXVFZSA-N 418.490 1.488 0 50 HDAA COC(=O)[C@@H](C)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cc(C)c(Cl)cc1C 13153698 RARDHEXCDGEDBD-OCCSQVGLSA-N 402.900 1.788 0 50 HDAA COc1ccc(C[C@@H]2NC(=O)[C@H]3CN(C(=O)Oc4ccccc4)CCN3C2=O)cc1 14749173 JIGZMNASDOGFSN-RBUKOAKNSA-N 409.442 1.448 0 50 HDAA COCCN1CCN(C(=O)[C@H]2CCC(=O)N(CCc3ccc(Cl)cc3)C2)CC1 14969404 WUQMNVWBDBWWCJ-SFHVURJKSA-N 407.942 1.912 0 50 HDAA O=C(C1CCN([C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2=O)CC1)N1CCOCC1 18271494 AVWVPWYKQWSJRZ-QGZVFWFLSA-N 405.882 1.543 0 50 HDAA COc1ccc(S(=O)(=O)N(CC(=O)N2CCN(C)CC2)c2ccc(F)cc2)cc1 20500867 QVRWIVTWACYOPG-UHFFFAOYSA-N 421.494 1.804 0 50 HDAA Cc1cc(C)n(-c2ccc(=O)n(CC(=O)NC3CCN(Cc4ccccc4)CC3)n2)n1 40267945 ANJWYAGQHFLSRP-UHFFFAOYSA-N 420.517 1.827 0 50 HDAA COc1cccc(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N(C)CCc3cn[nH]c3)[C@@H]4C2=O)c1 77519026 ZSCLZMSKKCSLKK-VAWZGJIGSA-N 422.485 1.401 0 50 HDAA O=C([C@@H]1CC(c2cccc(Cl)c2F)=NO1)N1CC[C@H]2CS(=O)(=O)C[C@@H]2C1 1471723080 LYRFKNXCCQSUTK-PGUXBMHVSA-N 400.859 1.865 0 50 HDAA CCN1CC[C@@H]2C[C@@H](N3CCOCC3)CC[C@@]2(C(=O)NCCc2ccncc2)C1 1857689105 DVOKCZXEQDQBRK-FUPPJEDESA-N 400.567 1.953 0 50 HDAA COCCn1nnc([C@H]2CN(S(=O)(=O)c3cc4ccccc4s3)CCO2)n1 1857722742 MPNQMSRNLCNKSV-CYBMUJFWSA-N 409.493 1.296 0 50 HDAA CCc1cc(C(=O)N2CCC[C@@H]2[C@H]2CCN(C(=O)CC[C@@H]3CCC(=O)NC3)C2)n[nH]1 1875362047 NXMIODQDNKQZPM-TXPKVOOTSA-N 415.538 1.732 0 50 HDAA CN(C)C(=O)CN1C(=O)[C@]2(CCN(Cc3cccc4ccnn34)C2)c2ccccc21 2100548137 VKKIXQOJVMUIEH-QHCPKHFHSA-N 403.486 1.913 0 50 HDAA COc1ccc(N(CC(=O)Nc2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1OC 784249 RULSRHKKEBAUIN-UHFFFAOYSA-N 422.459 1.880 0 50 HDAA COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N3CCN(C)CC3)cc2)cc1 4821228 PAZICYZVKVXKPB-UHFFFAOYSA-N 403.504 1.908 0 50 HDAA COc1ccc(OC[C@H](O)CN(CCO)C[C@@H](O)Cn2ccc3ccccc32)cc1 12080507 RDLCNKMHHWWUDK-WOJBJXKFSA-N 414.502 1.745 0 50 HDAA COC(=O)[C@H]1CCCCN1C(=O)c1sc2ncnc(N3CCN(C)CC3)c2c1C 12191160 VEWHAUMWYDIWMG-CQSZACIVSA-N 417.535 1.919 0 50 HDAA COCC1CCN(Cc2ccc(OC[C@@H](O)CN3CCOCC3)c(OC)c2)CC1 14975451 VMAOCYVITNQKIH-FQEVSTJZSA-N 408.539 1.626 0 50 HDAA COc1ccc(OC[C@H](O)CN2CCC(O)CC2)c(CNCCN2CCCC2)c1 20877505 VTMCRVYECHYCLP-HXUWFJFHSA-N 407.555 1.077 0 50 HDAA COc1cccc(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N(C)CCc3cn[nH]c3)[C@H]4C2=O)c1 77519022 ZSCLZMSKKCSLKK-MXBUBSDBSA-N 422.485 1.401 0 50 HDAA CCn1cc(C(=O)N2CCC3(CC2)c2nc[nH]c2CCN3C(=O)COC)c(C)n1 95498831 UFIWWFWNDPADLP-UHFFFAOYSA-N 400.483 1.097 0 50 HDAA O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1c1cccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)n1 100117082 XUHBJVKFPCUALP-RAPWYXBGSA-N 401.422 1.705 0 50 HDAA O=C(CCSc1nnnn1CCc1cccs1)NC(=O)NCC(F)(F)F 170656103 MAQATMKBZRJIQS-UHFFFAOYSA-N 408.431 1.848 0 50 HDAA Cc1nc(Cn2nnc(NS(=O)(=O)c3cnn(Cc4ccccc4)c3)c2C)no1 240551368 GTDZNVBVEJHKPL-UHFFFAOYSA-N 414.451 1.372 0 50 HDAA C[C@H](CNC(=O)[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)O)NC(=O)[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)O 245227981 UVEYHRIJZVRJOR-BTQWICPYSA-N 406.479 1.101 0 50 HDAA O=C(CCn1c(O)nc2ccccc21)NC12C[C@@H]3C[C@H](C1)CC(n1ncnn1)(C3)C2 670452062 NHMBIVZIPKQFGD-XFKLWTPLSA-N 407.478 1.983 0 50 HDAA O=C(Cn1cnnc1O)N1CC[C@](c2nc(-c3ccccc3)no2)(C(F)(F)F)C1 952892370 GYCHNNZIMXHHEU-INIZCTEOSA-N 408.340 1.766 0 50 HDAA O=C(COc1ccc(F)cc1)NC[C@H]1CCCN(C(=O)c2cnc(O)nc2O)C1 952964902 DUHBTGTUVSTWOE-GFCCVEGCSA-N 404.398 1.074 0 50 HDAA CC(C)C[C@H](CO)NC(=O)CC[C@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O 1772492643 AOFUIKDJJOOQST-VQIMIIECSA-N 414.506 1.934 0 50 HDAA COc1cc(CN2C[C@H]3CN(Cc4cc(C)no4)C[C@@]3(CO)C2)cc2c1OCO2 1772708593 DONUGRCMSRUFKA-HRAATJIYSA-N 401.463 1.647 0 50 HDAA Cc1noc(C)c1S(=O)(=O)N1C[C@H]2[C@@H](NC(=O)c3ccncc3)CCC[C@H]2C1 1857671953 ZKRXOOWGENLNAA-BBWFWOEESA-N 404.492 1.906 0 50 HDAA CCN1CC[C@@H]2C[C@@H](N3CCOCC3)CC[C@@]2(C(=O)NCCc2nncn2CC)C1 1857702730 BAOIEEBMCNAMBE-XQBPLPMBSA-N 418.586 1.170 0 50 HDAA COCC(=O)NCC[C@@H]1COCCN1Cc1cc(F)ccc1-n1nc(C)cc1C 1857709823 SWYAGYXFFWJNFD-LJQANCHMSA-N 404.486 1.982 0 50 HDAA CN(Cc1ccccc1Cl)C[C@H](O)C1CCN(C(=O)CN2CCOCC2)CC1 1857740209 DNPZVBUJCUNMIZ-FQEVSTJZSA-N 409.958 1.704 0 50 HDAA Cc1cc(C(=O)N[C@@H]2CN3CCCC[C@@]3(C(=O)NCCc3cscn3)C2)no1 1875245562 FWFAEBIUXCZBCJ-KXBFYZLASA-N 403.508 1.525 0 50 HDAA OC[C@H](Cn1cnc2c(N3CC[C@@H](O)[C@H](C4CCCC4)C3)ncnc21)[C@H]1CCOC1 1875269227 NVSDETRRKMZZMN-CADBVGFASA-N 415.538 1.849 0 50 HDAA CN(Cc1ccc2c(c1)OCCO2)c1ncnc2c1ncn2C1CC(CO)(CO)C1 1875269308 VIYJQCYIGWDKED-UHFFFAOYSA-N 411.462 1.540 0 50 HDAA O=C(NCc1ccnn1[C@H]1CC1(F)F)C(=O)NCc1ccnn1[C@@H]1CC1(F)F 2325816853 GBSMVZDOCCQMJP-TXEJJXNPSA-N 400.336 1.172 0 50 HDAA CCCN1C[C@@H](C(=O)N2CCCC[C@H](NC(=O)c3cccc(C(N)=O)c3)C2)CC1=O 2325864132 HNLFTQSJRTUCIG-ROUUACIJSA-N 414.506 1.155 0 50 HDAA COCCCN1C(=O)[C@@]2(CCN(C(=O)c3cnn4ccn(C)c34)C2)c2ccccc21 2356138043 GAKSMCLDJGBZPX-JOCHJYFZSA-N 407.474 1.840 0 50 HDAA O=C1N[C@H](c2ccc3c(c2)OCO3)[C@H](C(=O)c2cccnc2)[C@](O)(C(F)(F)F)N1 1156691 NGXKDHNDHYWXGJ-CPUCHLNUSA-N 409.320 1.914 0 50 HDAA O=C([C@@H]1CC(Cc2ccc3c(c2)OCO3)=NO1)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 14952671 UXZFNUOVKMMTQG-XFQAVAEZSA-N 421.453 1.910 0 50 HDAA COCCN1CCN(C(=O)[C@@H]2CCC(=O)N(CCc3ccc(Cl)cc3)C2)CC1 14969400 WUQMNVWBDBWWCJ-GOSISDBHSA-N 407.942 1.912 0 50 HDAA CCOC(=O)c1ccc(S(=O)(=O)N2CCN(CCc3ccccn3)CC2)cc1 35361580 NOSPRBVOWBUODY-UHFFFAOYSA-N 403.504 1.807 0 50 HDAA CNC(=O)C(C)(C)NC(=O)[C@H]1CCCN(C2CCN(Cc3cccnc3)CC2)C1 82115747 ZNQORBVGPMAHTP-SFHVURJKSA-N 401.555 1.399 0 50 HDAA CC(=O)NCCNC(=O)[C@H]1CCCN(C2CCN(c3nc4ccccc4o3)CC2)C1 82119919 YSZJRTXBYXYIRF-KRWDZBQOSA-N 413.522 1.761 0 50 HDAA COc1cc(CN(C)Cc2cccnc2)ccc1OC[C@H](O)CN1CCOCC1 95502372 JXFJHRJUIKDGEF-HXUWFJFHSA-N 401.507 1.794 0 50 HDAA NC(=O)C1(N2CCCCC2)CCN([C@@H]2CC(=O)N(c3cccc(F)c3)C2=O)CC1 100152874 QZIKMTSBJFAIGO-QGZVFWFLSA-N 402.470 1.263 0 50 HDAA COc1ccccc1NC(=O)Cn1c(=O)c(-c2noc(C)n2)c2n(c1=O)CCCC2 169763890 DCMJSUKLGCASON-UHFFFAOYSA-N 411.418 1.352 0 50 HDAA CCc1nc(-c2c3n(c(=O)n(CC(=O)NCc4ccccc4)c2=O)CCCCC3)no1 169763947 VLUNRGWQZNAWON-UHFFFAOYSA-N 423.473 1.665 0 50 HDAA COC(=O)C1(NC(=O)[C@@H]2CC(=O)N(c3cc(OC)ccc3OC)C2)CCSCC1 170591030 ZFJRDBMBCLYYFE-CYBMUJFWSA-N 422.503 1.612 0 50 HDAA CCCCn1c(=O)[nH]c(=O)c2c1nc(COC(=O)[C@H](C(C)C)N(C)C)n2CCC 170622067 SJYAEMLDDZYCIG-HNNXBMFYSA-N 407.515 1.726 0 50 HDAA Cn1ccc(N2CCC[C@H](NC(=O)C3(c4cccc(F)c4)CCOCC3)C2=O)n1 460414594 BEDGOYVGFOVVNQ-KRWDZBQOSA-N 400.454 1.919 0 50 HDAA CON(C)S(=O)(=O)c1ccc(C(=O)Nc2cc([C@@H]3CCCOC3)nn2C)cc1 791091017 WCAMVUOYXOMBOS-CQSZACIVSA-N 408.480 1.748 0 50 HDAA O=C([C@@H]1CC(c2cccc(Cl)c2F)=NO1)N1CC[C@@H]2CS(=O)(=O)C[C@@H]2C1 1471723084 LYRFKNXCCQSUTK-ZETOZRRWSA-N 400.859 1.865 0 50 HDAA Cc1ncc(C(=O)N2CCC(N3C[C@@H](COc4ccc(F)cc4)OCC3=O)CC2)[nH]1 1857676924 ZIYWNXFBILMOAF-SFHVURJKSA-N 416.453 1.768 0 50 HDAA O=C(CN1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1)N=c1cccn[nH]1 1875352690 AFJXPFZIPRRWCJ-UHFFFAOYSA-N 413.869 1.358 0 50 HDAA COC(=O)c1ccc(CNC(=O)[C@H]2OCC(=O)N[C@@H]2c2ccccc2Cl)cc1 1940196284 XQQCXAPXCJOFHB-MSOLQXFVSA-N 402.834 1.999 0 50 HDAA O=C(O)CN1C[C@H]2COC[C@@H]1CN(C(=O)Cc1csc(-c3ccccc3)n1)C2 1940197233 BIAZUPPOUWMOBW-PBHICJAKSA-N 401.488 1.596 0 50 HDAA Cc1cc(C)n(CCC(=O)N2CC[C@]3(C2)C(=O)N(CC(=O)N(C)C)c2ccccc23)n1 2100534518 MBTLHMKJTGAPAK-HSZRJFAPSA-N 423.517 1.495 0 50 HDAA O=C(C[C@@H]1CCC[C@H](C2CC2)O1)NS(=O)(=O)[C@H]1CS(=O)(=O)c2ccccc21 2325873069 XVEZZPPWJMYGBK-LXZKKBNFSA-N 413.517 1.699 0 50 HDAA CN(C)c1ncc2c(n1)[C@]1(CCCN(C(=O)c3nc(=N)[nH]c4c3CCCC4)C1)CC2 2356145723 SQKJPBVEQWTPET-JOCHJYFZSA-N 407.522 1.744 0 50 HDAA CCCCNc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@H](O)COc1ccc(OC)cc1 1835187 ZYBMARGNGIQUPG-ZDUSSCGKSA-N 417.466 1.084 0 50 HDAA Cc1nonc1OCCNCc1ccccc1OC[C@H](O)CN1CCSCC1 12571368 AFUQFZQFJKSKGE-QGZVFWFLSA-N 408.524 1.335 0 50 HDAA COCCNC(=O)c1nn(CCC(C)C)c2c1CN(C(=O)[C@@H]1CSC(=O)N1)CC2 14742596 JSEPNDSADMBOEA-AWEZNQCLSA-N 423.539 1.015 0 50 HDAA COC(=O)C1CCN(C[C@@H](O)COc2ccc(CNC3CCOCC3)cc2)CC1 14956834 CJAUIZPQWXTMEM-HXUWFJFHSA-N 406.523 1.580 0 50 HDAA COc1cccc(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N3CCC(F)CC3)[C@H]4C2=O)c1 77323452 VECDDYIYDVSALJ-OZIGNCPNSA-N 400.450 1.938 0 50 HDAA CCCCN1CCN([C@@H](C(=O)N2CCC3(CCO3)CC2)c2ccccc2)C(=O)C1=O 77485970 PTIMQPJKRMABRF-LJQANCHMSA-N 413.518 1.980 0 50 HDAA CN(C)CC(=O)N1CCC[C@@H](CCC(=O)N2CCN(Cc3ccccc3)CC2)C1 95507341 ZARIDTQRBVTCRW-NRFANRHFSA-N 400.567 1.911 0 50 HDAA Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N3CCCCCC3)CC2)c(Cl)n1 170597250 QMEXNFFRDOGGNI-UHFFFAOYSA-N 414.959 1.752 0 50 HDAA COc1ccc(CN2C(=O)N[C@H](CC(=O)NCc3cccn3C)C2=O)cc1OC 206245048 FLXCEHHZENLXET-OAHLLOKOSA-N 400.435 1.169 0 50 HDAA COCCn1c(N)c(N(Cc2ccccc2)C(=O)c2ccn(C)c2C)c(=O)[nH]c1=O 225796226 SWPHKCVBEYWNPO-UHFFFAOYSA-N 411.462 1.259 0 50 HDAA COC(=O)c1cnc(O)c([C@H](CC(N)=O)c2cc(OC)c3c(c2)OCCO3)c1O 253623910 SMABRDWPVMEUAF-SNVBAGLBSA-N 404.375 1.067 0 50 HDAA biogenic Cc1cc(C(=O)NC[C@@H]2CN(CC3CCN(CC4CC4)CC3)C(=O)CO2)cc(O)n1 299798526 SGHHEKSPUARJOU-LJQANCHMSA-N 416.522 1.175 0 50 HDAA Cc1nc2nc(CN3CCC[C@H](CNC(=O)c4scnc4C)C3)cc(O)n2n1 952967450 JVOMEUWAPUXFDX-CYBMUJFWSA-N 401.496 1.545 0 50 HDAA Cn1nc2n(c1=O)C[C@@H](C(=O)N1CCCN(c3nc4ccccc4s3)CC1)CC2 1506423235 GLBOJUYWTUXJPN-AWEZNQCLSA-N 412.519 1.493 0 50 HDAA CN1C(=O)CCO[C@H]2CN(C(=O)c3nn(Cc4ccccc4)c4ncccc34)C[C@@H]21 1857673452 IZBPRAUSMAPMNL-ROUUACIJSA-N 405.458 1.551 0 50 HDAA O=C(Cc1ccc(F)cc1)NC[C@H]1CN(CC2CCN(CC3CC3)CC2)C(=O)CO1 1857693966 UZRSRIREVZKASN-NRFANRHFSA-N 417.525 1.834 0 50 HDAA Cc1cccc(CC(=O)N[C@@H]2CN(CC(=O)N3CCc4ccccc43)CC[C@@H]2O)c1 1857697548 CORLXECNGMODOX-IRLDBZIGSA-N 407.514 1.678 0 50 HDAA CCc1nn(C)c(Cl)c1CN1CCO[C@]2(CCN(C(=O)C3CCOCC3)C2)C1 1857703460 QJILCMNLQYULHL-HXUWFJFHSA-N 410.946 1.866 0 50 HDAA COC[C@H]1CCCN1S(=O)(=O)N1CCc2nn(C)c(-c3ccccc3)c2CC1 1875244686 PQYCRWWGVSZBMW-QGZVFWFLSA-N 404.536 1.843 0 50 HDAA Cc1nc(C)c(CC(=O)N[C@@H]2CC[C@H](C(=O)N3CCC(C)CC3)C[C@H]2O)c(O)n1 2100543590 VTGHDOXVVFWPQH-CGTJXYLNSA-N 404.511 1.246 0 50 HDAA COC(=O)[C@H]1C[C@@H](n2cc([C@@H]3CCC[C@H]3O)nn2)CN1C(=O)[C@@H]1C2C[C@@H]3C1[C@@H]3C2 2325872918 RQDQYYSYGMRWMG-KMIRIZKXSA-N 400.479 1.124 0 50 HDAA O=C1CC[C@@H](N2Cc3cc(NC(=O)N4C[C@@H]5C[C@]5(C(F)F)C4)ccc3C2=O)C(=O)N1 2325901570 LPDULOAXCZGNMQ-CJAGKMTESA-N 418.400 1.567 0 50 HDAA CCOC(=O)N1CCN(C(=O)[C@@H](C)N(c2ccc(C)c(C)c2)S(C)(=O)=O)CC1 1079077 BADCXUOSACTJEQ-MRXNPFEDSA-N 411.524 1.759 0 50 HDAA COCCOC1CCN(C(=O)C[C@H]2C(=O)NCCN2Cc2ccc(F)cc2)CC1 11873371 BQJGXNMKAXOEKB-IBGZPJMESA-N 407.486 1.170 0 50 HDAA O=C(Cc1ccccc1)NCc1nnc2n1CCN(Cc1ccc3c(c1)OCO3)CC2 19229486 OYHNBLKZNBRHQN-UHFFFAOYSA-N 419.485 1.924 0 50 HDAA O=C(CCCn1nnnc1CN1CCOCC1)N[C@H](c1cccnc1)C(F)(F)F 20211666 AVOBVVBYVNXJQF-MRXNPFEDSA-N 413.404 1.100 0 50 HDAA CN1N=C(C(=O)N2CCC[C@@H](N3CCN(c4ccc(F)cc4)CC3)C2)CCC1=O 55369510 ZZUMLXNMTABWPN-GOSISDBHSA-N 401.486 1.547 0 50 HDAA O=C1CCN(C(=O)[C@H]2CCCN(C3CCN(CCc4ccccc4)CC3)C2)CCN1 82120494 CXZCUUORTAGNIW-NRFANRHFSA-N 412.578 1.754 0 50 HDAA CC(=O)N1CCN(C(=O)[C@H]2CCCN(C3CCN(Cc4ccncc4)CC3)C2)CC1 82162147 KCBLDVSJCGJHTI-NRFANRHFSA-N 413.566 1.449 0 50 HDAA O=C(CCn1nnnc1CN1CCOCC1)N1CCCC[C@H]1CCc1ccccn1 91914649 AGENIRIPNFYCCN-IBGZPJMESA-N 413.526 1.304 0 50 HDAA CC(=O)OC[C@@H]1O[C@H](c2ccccc2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 253916597 RSVDHRRPXRATQV-LJDSDSDDSA-N 408.403 1.485 0 50 HDAA O=C1C[C@H](C(=O)N2CCN(c3ncnc4ccccc34)CC2)CN1Cc1ccncc1 827695816 FFSNHZRYVKZMFE-SFHVURJKSA-N 416.485 1.722 0 50 HDAA Cc1oc2c(c1C(=O)N1CCCN(S(=O)(=O)N3CCCCC3)CC1)C(=O)CCC2 952966065 HPPBEUJJGNFEQA-UHFFFAOYSA-N 423.535 1.986 0 50 HDAA Cc1c(C(=O)Nc2cccc(C(=O)N3CCC[C@@H](O)C3)c2)cnn1-c1ccc(O)nn1 1320126323 DBZWGFQUMIJGBL-MRXNPFEDSA-N 422.445 1.526 0 50 HDAA Nc1ncc2c(n1)[C@@]1(CCCN(S(=O)(=O)c3ccc4c(c3)CCC(=O)N4)C1)CC2 1704311706 RDDMFLPOOIVUNR-FQEVSTJZSA-N 413.503 1.612 0 50 HDAA CCn1nc(C)c(NC(=O)CN2C[C@@H]3CN(Cc4nccs4)C[C@]3(CO)C2)c1C 1772804574 ATEVTAQKSSCFMT-UZLBHIALSA-N 418.567 1.341 0 50 HDAA Cc1ccc(OCC(=O)NC[C@H]2[C@H]3CN(CCn4ccnc4)C[C@]34CC[C@H]2O4)cc1 1857731686 XBFSYMSSQOXQPN-ZZLPTCMGSA-N 410.518 1.866 0 50 HDAA CCOc1ccccc1CN1CCNC(=O)[C@H]1CC(=O)N(C)CC1CCOCC1 12717269 RXDTWTFEGIEHPM-LJQANCHMSA-N 403.523 1.661 0 50 HDAA O=C([C@H]1CCCO1)N1CCN(CCOc2cccc(CN3CCOCC3)c2)CC1 14991718 MVLIZZIRELKKII-OAQYLSRUSA-N 403.523 1.221 0 50 HDAA COc1ccc(N2C(=O)C[C@@H](N3CCC(C(N)=O)(N4CCCCC4)CC3)C2=O)cc1 18136778 KQHOZNLYLAZSEB-GOSISDBHSA-N 414.506 1.133 0 50 HDAA CCc1nn(CC(=O)NCCCN2CCOCC2)c(=O)c2cc3cc(F)ccc3n12 20384687 HXMIKWIQDOPIMN-UHFFFAOYSA-N 415.469 1.189 0 50 HDAA CCN1CCN(C[C@H](O)COc2cccc(CN(C)Cc3nonc3C)c2)CC1 20993220 XNYZDRHOYAZTPT-IBGZPJMESA-N 403.527 1.387 0 50 HDAA CCn1c(=O)c(O)nc2cc(C(=O)NCCc3cccc(C(=O)N(C)C)c3)ccc21 303841413 DANYYMZHYUBRSZ-UHFFFAOYSA-N 408.458 1.796 0 50 HDAA Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2S(=O)(=O)c1ccc(-n2cnnn2)cc1 481865360 JANMDHZCYKBNKI-UYAOXDASSA-N 410.503 1.967 0 50 HDAA O=C1Cn2cnc3c2[C@H](c2cccc(c2)OCCCN1)N(C(=O)C1CCOCC1)CC3 1775979193 IWNZUSLXKYHQLL-NRFANRHFSA-N 424.501 1.683 0 50 HDAA CN1CCn2nc(C(=O)N3CCCN(c4nc5ccccc5s4)CC3)cc2C1=O 1857679828 XFQDFMZDZVXDRX-UHFFFAOYSA-N 410.503 1.931 0 50 HDAA COCCN=c1[nH]c2cc(C(=O)N3C[C@@H]4C[C@H](C3)[C@@H]3CCCCN3C4)ccc2n1C 1857721227 GBRSTYOZCSOSEJ-POAQFYNOSA-N 411.550 2.000 0 50 HDAA COC(=O)[C@H]1C[C@H]2CN(C(=O)c3csc(=N)[nH]3)CC(=O)N2[C@H]1c1ccccc1 1857732265 JXEYCECBVNECSA-XEZPLFJOSA-N 400.460 1.143 0 50 HDAA CCOC(=O)C(C)(C)Cc1cn(CCNC(=O)c2ccc3nc(O)n(C)c3c2)nn1 1875337578 AGBAZPDFSKUTEV-UHFFFAOYSA-N 414.466 1.432 0 50 HDAA C=CC(=O)NC[C@H](NC(=O)[C@@H]1CCc2nnnn2CC1)c1ccc2ccccc2c1 1875386596 UYIYGFQUVICMMC-APWZRJJASA-N 404.474 1.939 0 50 HDAA O=C1C[C@H](c2ccccc2)NCCCN(C(=O)CN2CCOCC2)CCCCN1 2356160602 ZQJXQYYZMJTCRM-HXUWFJFHSA-N 402.539 1.168 0 50 HDAA C[C@H](O)[C@H](NC(=O)CNC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 4763736 WFOUCHSTLPZYMW-KXBFYZLASA-N 400.431 1.522 0 50 HDAA COC(=O)c1ccccc1NC(=O)CN1N=N[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 18166039 VQLVVSSITWIBES-DLBZAZTESA-N 407.386 1.405 0 50 HDAA O=C(CSc1nc(=O)c2c3c(sc2[nH]1)CCCC3)NCCCN1CCOCC1 19791078 RPRXIHWYDMAWII-UHFFFAOYSA-N 422.576 1.794 0 50 HDAA O=C(C[C@H]1C(=O)NCCN1Cc1c(F)cccc1Cl)NCCc1ccccn1 55182824 VKCHXCUFZBVJFQ-SFHVURJKSA-N 404.873 1.924 0 50 HDAA COc1cccc(CN2CCC[C@@](O)(CN3CC(n4cccn4)C3)C2=O)c1OC 67490238 LQDDVFIETZEOPX-OAQYLSRUSA-N 400.479 1.311 0 50 HDAA CCCc1nc(N2CCC(N3CCC[C@H](C(=O)N4CCN(C)CC4)C3)CC2)no1 71416215 UWKHSTYNZPOMQH-KRWDZBQOSA-N 404.559 1.477 0 50 HDAA CN(Cc1ccno1)C(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(CCOc4ccccc4)C(=O)[C@H]13)O2 77386075 NSJVWNWRHNFDKE-WEMPKCCASA-N 409.442 1.494 0 50 HDAA CCOc1ccc(N2C(=O)C[C@H](N3CCN(CCc4ccncc4)CC3)C2=O)cc1 100790818 VTWITHAEHKCHKC-NRFANRHFSA-N 408.502 1.973 0 50 HDAA C[C@@]12CC[C@@H]3[C@H](CC[C@@]4(O)C[C@@H](O)CC[C@]34C(=O)O)[C@@]1(O)CC[C@H]2C1=CC(=O)OC1 254760379 XJIILRFVONGQOG-BYEOHFTNSA-N 420.502 1.784 0 50 HDAA CCn1cnnc1CN1CCC(N2C[C@@H](COc3ccc(F)cc3)OCC2=O)CC1 299797694 PBYVEQFOOXWWLU-IBGZPJMESA-N 417.485 1.708 0 50 HDAA COC(=O)[C@H](O)C1CCN(C(=O)[C@@H](Cc2c[nH]c3cc(F)ccc23)NC(C)=O)CC1 438197802 BZPFKSQZDCBEQW-RTBURBONSA-N 419.453 1.127 0 50 HDAA Cn1nc(-c2nc(-c3cccc([C@@]4(C)NC(=O)NC4=O)c3)no2)c2ccccc2c1=O 761934325 QEPSFPZSGPMODA-OAQYLSRUSA-N 416.397 1.705 0 50 HDAA Nc1nc(CCCNC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)cs1 827748244 GLECRYWLUXKDAH-HNNXBMFYSA-N 412.512 1.767 0 50 HDAA CNC(=O)c1cc(S(=O)(=O)N(C)Cc2nc(-c3ccccn3)no2)ccc1OC 952872308 NXVSATJJIHIVCC-UHFFFAOYSA-N 417.447 1.321 0 50 HDAA CCc1ccc(S(=O)(=O)N2CCCN(S(=O)(=O)N3CCCCC3)CC2)s1 952973194 ROQXGFGQTLHYFH-UHFFFAOYSA-N 421.610 1.738 0 50 HDAA CCc1noc([C@H]2CC[C@@H](NS(=O)(=O)c3ccc4c(c3)n(C)c(=O)n4C)C2)n1 1309921451 RYHYPAYLHXEOTJ-NWDGAFQWSA-N 405.480 1.437 0 50 HDAA CS(=O)(=O)c1ccc(CN2CC[C@H](O)[C@@](Cc3ccccc3)(C(=O)O)C2)cc1 1704296967 AODVEOMYANKNEW-FPOVZHCZSA-N 403.500 1.970 0 50 HDAA O=C(NCCO)[C@@H]1C[C@@H]2CN(Cc3nccs3)CC(=O)N2[C@@H]1c1ccccc1 1857687125 NVUASPYQKYFNGM-GPMSIDNRSA-N 400.504 1.026 0 50 HDAA OC[C@@H](Cn1cnc2c(N3CC[C@@H](O)[C@H](C4CCCC4)C3)ncnc21)[C@H]1CCOC1 1875269229 NVSDETRRKMZZMN-ZSYWTGECSA-N 415.538 1.849 0 50 HDAA COc1cccnc1C(=O)N[C@@H](C)[C@H]1CN(C(=O)C2SCCCS2)CCO1 1875359414 CQDOTSISKVCHNU-GXTWGEPZSA-N 411.549 1.632 0 50 HDAA COc1ncccc1CN1CCC2(CCc3c(O)nc(N4CCOCC4)nc32)CC1 2100483794 PPUUIGRKANXVSF-UHFFFAOYSA-N 411.506 1.902 0 50 HDAA Cc1cc(OCC(=O)N(C)[C@H]2CCCC[C@H]2N(C)C(=O)COc2cc(C)on2)no1 2325724265 UYUCTVBNXUMNLU-IYBDPMFKSA-N 420.466 1.965 0 50 HDAA CC(C)(C)c1nccc(=NCc2ccc3c(c2)C(=O)N([C@H]2CCC(=O)NC2=O)C3)[nH]1 2325897610 AMGHXLSPXOQTAW-INIZCTEOSA-N 407.474 1.569 0 50 HDAA O=C(NC[C@H]1CCCO1)c1ccc2c(c1)C(=O)N(N1C(=O)c3ccccc3C1=O)C2=O 9720833 AODWRDVWWUWMMS-CYBMUJFWSA-N 419.393 1.403 0 50 HDAA CC(C)CNC(=O)c1ccccc1NC(=O)C1CCN(S(=O)(=O)N(C)C)CC1 10331250 RQCWWAZPGJCHDA-UHFFFAOYSA-N 410.540 1.529 0 50 HDAA O=C(C[C@@H]1C(=O)NCCN1CCCc1ccccc1)NCCCOc1cccnc1 11665205 AYZSFGLGIAHFAK-OAQYLSRUSA-N 410.518 1.790 0 50 HDAA CN(Cc1ccncn1)C(=O)C[C@H]1C(=O)NCCN1Cc1cccc2ccccc12 11702900 NPANAGWSBHKONT-NRFANRHFSA-N 403.486 1.979 0 50 HDAA CCOC(=O)N1CCN(C(=O)[C@@H]2CCC(=O)N(Cc3ccccc3OC)C2)CC1 11842372 XINHXGKHWHZRAX-QGZVFWFLSA-N 403.479 1.735 0 50 HDAA COc1ccc(Cn2c(=O)c(CNC[C@H](O)CO)cc3cc4c(cc32)CCC4)cc1 12126162 WRLXKDCOWZXXDM-NRFANRHFSA-N 408.498 1.990 0 50 HDAA Cn1nnnc1SCCNC(=O)[C@@H]1CCC(=O)N(CCc2cccc(F)c2)C1 12439746 HQJFLDFPCBUMLP-CQSZACIVSA-N 406.487 1.039 0 50 HDAA COc1cc(CNCC2(O)CCCCC2)ccc1OC[C@H](O)CN1CCOCC1 12709456 CMAZAGUOGOXSCC-LJQANCHMSA-N 408.539 1.552 0 50 HDAA CS(=O)(=O)N1CCN(CC(=O)Nc2ccc(Br)cc2Cl)CC1 13323668 WSCIIVCZQCMLAM-UHFFFAOYSA-N 410.721 1.618 0 50 HDAA Cn1nc2n(c1=O)C[C@H](C(=O)N1CCC(c3[nH]ncc3-c3ccccc3)CC1)CC2 67460100 QNASYKIWCQAIAI-QGZVFWFLSA-N 406.490 1.941 0 50 HDAA O=C1N(CCc2ccccc2)CCC[C@]1(O)CN1CCCN(c2ncccn2)CC1 67804806 GWPTUYJGIZHFKC-QHCPKHFHSA-N 409.534 1.585 0 50 HDAA COc1cc(-c2ccc(C)s2)cc2c1OCCN(C(=O)[C@H](CO)NC(C)=O)C2 67947842 UUPZLRCQMHVGEA-INIZCTEOSA-N 404.488 1.950 0 50 HDAA O=C(CC[C@H]1CCCN(C(=O)c2cnc[nH]c2=O)C1)NCc1ccc(F)c(F)c1 95501684 OGNMEMJYJUMXJK-CYBMUJFWSA-N 404.417 1.997 0 50 HDAA COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)c1c(F)cccc1F)CC2 95512075 JDJCKFRAGNSMME-UHFFFAOYSA-N 404.417 1.851 0 50 HDAA O=C(NCCS(=O)(=O)N1CCOCC1)NCc1ccc(F)cc1C(F)(F)F 748094714 JRFLVTQKDWWFCC-UHFFFAOYSA-N 413.393 1.306 0 50 HDAA O=C(NCCOc1cccc2cccnc12)C1CCN([C@@H]2CCS(=O)(=O)C2)CC1 827758310 QWMVTBBGUGHLHG-GOSISDBHSA-N 417.531 1.629 0 50 HDAA CC(C)Cc1cc(C(=O)N2CCC[C@H](CNC(=O)c3ccnn3C)C2)nc(O)n1 952991201 ZOOFAVKZCCYWIB-CQSZACIVSA-N 400.483 1.396 0 50 HDAA Cc1cc(-c2cc(S(=O)(=O)N3CCN(CCn4cncn4)CC3)c(C)s2)n[nH]1 1506404889 VYOAOIDESLBHRT-UHFFFAOYSA-N 421.552 1.353 0 50 HDAA O=C(c1ccccn1)N1CCC(C(=O)N2CCO[C@H](CO)[C@H]2c2ccccc2)CC1 1529179630 ZXNLQOSDJPRAJW-NHCUHLMSSA-N 409.486 1.895 0 50 HDAA CSCC(=O)N1C[C@@H]2CN(C(=O)c3ccccc3-c3ncc[nH]3)C[C@@]2(CO)C1 1857698943 OMWVTEMLFRFPFY-JLTOFOAXSA-N 400.504 1.333 0 50 HDAA CCN1C[C@H](C(=O)N2CCCC[C@@H](NC(=O)c3cccc(N)c3C)C2)CCC1=O 2325864533 RLPLLZQKYZACGN-IAGOWNOFSA-N 400.523 1.947 0 50 HDAA CC1(C)CN2C[C@H]1CNC(=O)[C@@]1(CC=CCOc3ccccc3C2=O)CNCCO1 2325894061 SFRCVCJTFMIVBZ-UZUQRXQVSA-N 413.518 1.598 0 50 HDAA O=C(N[C@@H]1CCCOC12CCNCC2)c1cc2c(s1)C1(CCNCC1)OCC2 2356142418 QYGUCBCQXKXGGA-QGZVFWFLSA-N 405.564 1.931 0 50 HDAA O=C1CCCN1C[C@H]1CCCN(c2nc3nonc3nc2N2CCSCC2)C1 11817585 HAFXVCIPUUQQAE-CYBMUJFWSA-N 403.512 1.405 0 50 HDAA COc1ccccc1CN1CCC[C@H](CN(CCN(C)C)C(=O)C2(C(N)=O)CC2)C1 12299345 KCTYRIQXLCPHIC-SFHVURJKSA-N 416.566 1.563 0 50 HDAA COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NCCCOC(C)C)c(C)c1C 12702351 YYYDODBCADVLBZ-IBGZPJMESA-N 405.539 1.934 0 50 HDAA CCS(=O)(=O)c1ncc(CN(C)C[C@H]2COc3ccccc3O2)n1CCOC 19770856 XKPLBQLABHAFTD-INIZCTEOSA-N 409.508 1.595 0 50 HDAA C[C@H]1CN(C(=O)c2nc3sccn3c2CNCCN2CCOC2=O)C[C@@H](C)O1 20916589 ICVNOIJQATUCSV-BETUJISGSA-N 407.496 1.187 0 50 HDAA Cc1cc(N2CCN(S(=O)(=O)c3ccccc3F)CC2)nc(N2CCOCC2)n1 65364576 MYQFPTSNBKNBQL-UHFFFAOYSA-N 421.498 1.272 0 50 HDAA Nc1cc(N2CCC(N3CCC[C@@H](C(=O)NCc4ccccn4)C3)CC2)nc(N)n1 82166306 ZEKPQOPSAWKSRP-OAHLLOKOSA-N 410.526 1.033 0 50 HDAA NC(=O)C1=NO[C@H](CNC(=O)c2csc(-c3cc(Br)cs3)n2)C1 170606000 JFWBYSJDXKQHRA-ZETCQYMHSA-N 415.294 1.994 0 50 HDAA COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NC[C@H]3CCCO3)C2)cc1OC 239203388 SGUPMAUTKYHATF-LSDHHAIUSA-N 412.508 1.400 0 50 HDAA CCn1nc(C(=O)N[C@@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)ccc1=O 681004009 DTKCSMQOWFIZLD-CYBMUJFWSA-N 408.380 1.813 0 50 HDAA CCN1CCN(C(=O)CC2(N3Cc4ccccc4C3=O)CCN(C(C)=O)CC2)CC1 888105585 VIOPKIUUYJEKRH-UHFFFAOYSA-N 412.534 1.578 0 50 HDAA COc1ccc(-n2cccn2)cc1S(=O)(=O)N(CCN(C)C)C[C@H]1CCCO1 952965506 ADLMCYKGDYHVNX-QGZVFWFLSA-N 408.524 1.612 0 50 HDAA OCCN1CCN(C2CCN(Cc3cnc(NCc4ccccc4)nc3)CC2)CC1 952978080 ATFHXLMKAVBDGH-UHFFFAOYSA-N 410.566 1.663 0 50 HDAA O=S(=O)(NCc1ccc(CN2CC[C@@H](O)C2)cc1)c1cccc2c1OCCCO2 1212460055 MPAFSCIYMZCISS-GOSISDBHSA-N 418.515 1.893 0 50 HDAA CN1CCN(C(=O)c2ccnc(N3CCC[C@]4(CCc5cnc(N)nc54)C3)c2)CC1 1704312693 IQIBUNPNTOIJKA-QFIPXVFZSA-N 407.522 1.326 0 50 HDAA CN(C)C[C@@H]1OCCN(C(=O)c2cc(O)c3cccc(F)c3n2)[C@H]1c1cnn(C)c1 1857726144 GRKNDBLAYRMQPB-ICSRJNTNSA-N 413.453 1.957 0 50 HDAA O=C1CC[C@@H](N2Cc3cc(C(=O)N4CCC[C@@H]5CCOC[C@@H]54)ccc3C2=O)C(=O)N1 2325901756 WTOFTMBAFLJTQE-XWIAVFTESA-N 411.458 1.089 0 50 HDAA O=C1CO[C@H](C(=O)N2CCC3(CC2)OCCc2ccsc23)[C@@H](c2cccnc2)N1 2356160403 QMYBWRBGKTWKIU-MSOLQXFVSA-N 413.499 1.790 0 50 HDAA COc1ccc(OC)c(N(CC(N)=O)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 1145192 OVOUNRJQNPKLBG-UHFFFAOYSA-N 410.448 1.402 0 50 HDAA CCOC(=O)C1CCN(C(=O)CCNC(=O)Cn2ccc3ccccc3c2=O)CC1 4101433 ZALWTYLFVRWRJL-UHFFFAOYSA-N 413.474 1.310 0 50 HDAA Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccc3c(c1)OCO3)[C@@H]1C(=O)c3ccccc3C1=N2 4145081 ANBFDVKHKKQALL-SJORKVTESA-N 415.405 1.892 0 50 HDAA Cc1nnc(SCCNC(=O)C[C@@H]2C(=O)NCCN2Cc2ccccc2)s1 11880107 ABVHRLXAIRCBRT-OAHLLOKOSA-N 405.549 1.446 0 50 HDAA COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)N(C)Cc2cccnc2)c(F)c1 12303090 WDJLBQDBWYMCLR-LJQANCHMSA-N 400.454 1.578 0 50 HDAA COc1ccc(C[C@@H]2NC(=O)[C@@H]3C[C@H](NC(=O)c4cccc(C)c4)CN3C2=O)cc1 14543575 ZRPATPQVMBHHFZ-IHPCNDPISA-N 407.470 1.444 0 50 HDAA CCCn1nc(C(=O)N2CCCCC2)c2c1CC[C@@H](N1CCN(C(C)=O)CC1)C2 14731510 FFUXWARSNWBDFT-GOSISDBHSA-N 401.555 1.941 0 50 HDAA Cc1cnc(SCCN2CCOCC2)nc1[C@H]1CCCN(C(=O)[C@@H]2CCOC2)C1 14982748 VXPHWKJGZNHGBG-ZWKOTPCHSA-N 420.579 1.952 0 50 HDAA O=C(NCC[C@@H]1CCCCO1)c1coc(CN2CCN(c3ncccn3)CC2)n1 15079748 RJUDWGOIHKLVOS-INIZCTEOSA-N 400.483 1.476 0 50 HDAA CC(C)(CNC(=O)c1cc(COc2ccc3c(c2)OCO3)[nH]n1)N1CCOCC1 20538408 NTXFKXRDDGOPJR-UHFFFAOYSA-N 402.451 1.558 0 50 HDAA CN(C)S(=O)(=O)N1CCC[C@@H](C(=O)NCCCN2CCc3ccccc3C2)C1 72436942 ONPIGRLESFTCJX-LJQANCHMSA-N 408.568 1.069 0 50 HDAA CN(C)S(=O)(=O)N1CCC(C(=O)NCCCN2CCc3ccccc3C2)CC1 72437293 FDEDAFLTAWCAMK-UHFFFAOYSA-N 408.568 1.069 0 50 HDAA COc1cccc(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N(C)Cc3cc(C)[nH]n3)[C@H]4C2=O)c1 77392235 FFJZFRAGMGELJM-SRYPRDQNSA-N 422.485 1.667 0 50 HDAA COC[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CCN(Cc1nc3ncccn3n1)C2 95356963 YOAFKDMKLCDVKI-OPYAIIAOSA-N 400.527 1.464 0 50 HDAA COCC(=O)N1CCC(Oc2ccc(C(=O)N[C@H](C)c3nnc(C)o3)cc2)CC1 95499843 WPWAKILEHMMVEZ-CYBMUJFWSA-N 402.451 1.885 0 50 HDAA NC(=O)C1(N2CCCCC2)CCN([C@H]2CC(=O)N(c3ccccc3F)C2=O)CC1 100093391 ARJAEZNDZNXWTM-KRWDZBQOSA-N 402.470 1.263 0 50 HDAA CC(=O)Nc1ccc(N2C(=O)[C@@H]3[C@H](C)N[C@]4(C(=O)Nc5ccccc54)[C@H]3C2=O)cc1 138694219 APSOXGPIXXHVNR-QKPDRWLSSA-N 404.426 1.590 0 50 HDAA COc1cc2nc(CN3C[C@H](SC)[C@H](N4CCCC4)C3)[nH]c(=O)c2cc1OC 230247808 IXKQWVHGVCUEDA-QAPCUYQASA-N 404.536 1.952 0 50 HDAA C[C@@H](NC(=O)CN(Cc1ccco1)[C@H]1CCS(=O)(=O)C1)c1ccc2c(c1)OCO2 252486979 QLPBNVPFBHFINP-ZBFHGGJFSA-N 420.487 1.875 0 50 HDAA O=C(NC12C[C@@H]3C[C@H](C1)CC(n1cncn1)(C3)C2)[C@H]1CC(=O)N(Cc2cccnc2)C1 952976982 ODXYNJUBMSHBCX-RTEQLQKUSA-N 420.517 1.886 0 50 HDAA CN1C[C@H](NC2CCN(C(=O)c3ccncc3)CC2)c2sccc2S1(=O)=O 1506426835 JGNUKMFFNHOBOR-HNNXBMFYSA-N 406.533 1.713 0 50 HDAA Cc1ccccc1OCC(=O)NC[C@@H]1CCC[C@H](NS(=O)(=O)c2cnn(C)c2)C1 1857671255 BXTGSFMXOKEBHI-SJORKVTESA-N 420.535 1.761 0 50 HDAA Cc1c(C(=O)N2CC[C@@]34OC[C@@H](c5ccccc5)N3C(=O)C[C@@H]24)cnc2ccnn12 1875242858 FPRRXKZFNSVXIX-SVMVAKDDSA-N 403.442 1.952 0 50 HDAA CC[C@H](C)[C@H](NC(=O)CN1CCC(C(=O)NCCc2cccs2)CC1)C(=O)O 1875258609 DZIFKYCCJWPLIP-KSSFIOAISA-N 409.552 1.734 0 50 HDAA COc1ccccc1CNC(=O)[C@H]1OCC(=O)N[C@@H]1c1ccc(OC)c(OC)c1 2100556057 CCHWKDMYDYEGQP-UXHICEINSA-N 400.431 1.585 0 50 HDAA CN(C)[C@@H](C(=O)N1CCCN(C(=O)[C@@H](c2cccnc2)N(C)C)CC1)c1cccnc1 2325744015 WDKMKBJEYIMTGY-NHCUHLMSSA-N 424.549 1.443 0 50 HDAA COC(=O)CCCCC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)c1ccn([C@@H]2CC2(F)F)n1 2325872021 FEMXKAFNQXUKBB-HVOFVXBASA-N 410.421 1.526 0 50 HDAA CS/C=C/C(=O)N[C@H](CNC(=O)c1cc(=O)n(-c2nc(C)cc(C)n2)[nH]1)C1CC1 2325872287 QJMVHBBJPWBELL-LQYUOIDQSA-N 416.507 1.074 0 50 HDAA CC(=O)Cn1c(=O)c2c(nc(-n3nc(C)cc3C)n2Cc2ccccc2)n(C)c1=O 12516544 CEKAHSFHDPFIRJ-UHFFFAOYSA-N 406.446 1.337 0 50 HDAA COc1ccc(CN2CCC(OC)CC2)c(OC[C@H](O)CN2CCN(C)CC2)c1 19226149 DCZKHBJIEBLRJJ-LJQANCHMSA-N 407.555 1.293 0 50 HDAA O=C(C1CCN(S(=O)(=O)Cc2c(F)cccc2Cl)CC1)N1CCOCC1 24613336 ROFNUBKOUCELEE-UHFFFAOYSA-N 404.891 1.880 0 50 HDAA Cc1cc(CNC(=O)C[C@H]2C(=O)NCCN2Cc2cccc(C(F)(F)F)c2)nn1C 55054042 BHHMFBZRVYXCHD-KRWDZBQOSA-N 423.439 1.754 0 50 HDAA Cc1nc(N2CCOCC2)cc(N2CCN(C(=O)c3sc(C)nc3C)CC2)n1 67603839 LGRCUVCUEJRJFA-UHFFFAOYSA-N 402.524 1.657 0 50 HDAA Cc1ccc(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N(C)Cc3nccn3C)[C@@H]4C2=O)cc1C 77319208 ICJQRSWUNREKRF-WWOUZDQESA-N 420.513 1.978 0 50 HDAA C[C@H](Cn1cncn1)NS(=O)(=O)[C@H]1CCCN(C(=O)c2cccc(Cl)c2)C1 170593701 BHHCNDWKKPTFCU-CJNGLKHVSA-N 411.915 1.544 0 50 HDAA CC(C)(C)OC(=O)N1CCC(COC(=O)Cn2nnc3ccccc3c2=O)CC1 170606820 LXJWLRFXYQALES-UHFFFAOYSA-N 402.451 1.982 0 50 HDAA O=C(CC[C@@H]1NC(=O)N(c2ccccc2)C1=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 253413819 VTHZABFDSTWVQK-RYRKJORJSA-N 420.469 1.699 0 50 HDAA biogenic COCCn1ccc2c(OCC(=O)N3CCN(S(=O)(=O)C(C)C)CC3)cccc21 263588814 YQWIKXHPEQSQRZ-UHFFFAOYSA-N 423.535 1.549 0 50 HDAA CC(C)c1cc(C(=O)NC[C@H]2CN(C3CCN(C4CCC4)CC3)C(=O)CO2)no1 299799059 XAXZUJBRDVJJAY-KRWDZBQOSA-N 404.511 1.772 0 50 HDAA O=S(=O)([C@H]1CCCN(c2nc(O)c3cn[nH]c3n2)C1)N1CCc2ccccc21 302496564 MMCUMLAXULDBRK-ZDUSSCGKSA-N 400.464 1.420 0 50 HDAA Cc1nccn1-c1ccc(CNC(=O)CN2C(=O)N[C@]3(C[C@@H](C)C[C@@H](C)C3)C2=O)cn1 756937553 AQTPAMSOGOPPKP-YEZVWNJWSA-N 424.505 1.939 0 50 HDAA COc1ccc2c(c1)CCOC21CCN(C(=O)C[C@@H]2C(=O)NCCN2C(C)C)CC1 1704335044 KBOUERHBCIEZPJ-HXUWFJFHSA-N 415.534 1.685 0 50 HDAA COc1cc2c(cc1CN1CCC3(CC1)OCC[C@@](C)(NC(C)=O)[C@@H]3O)OCO2 1772706811 VSHQAQVZFIEXBW-VQTJNVASSA-N 406.479 1.435 0 50 HDAA COCCn1ccnc1CN1C[C@@H]2CN(C3CSCCSC3)C[C@@]2(CO)C1 1772708463 DCDCEELYAYRJMG-VQIMIIECSA-N 412.625 1.104 0 50 HDAA CC(C)c1cc(C(=O)N2C[C@H]3CN(Cc4ccns4)C[C@]3(CO)C2)nc(N)n1 1772808654 XHPIXFCWTNFCBX-BFUOFWGJSA-N 402.524 1.205 0 50 HDAA Cc1oc(-c2ccno2)cc1S(=O)(=O)N1C[C@H]2CN(CC(C)C)C[C@]2(CO)C1 1772813081 VDQNPPKUMBFLTB-DNVCBOLYSA-N 409.508 1.814 0 50 HDAA Nc1ncccc1CNC(=O)Cn1nc(CC2CC2)nc1[C@H](N)Cc1ccccc1 1857685758 SEYFUBWBPIYNQR-GOSISDBHSA-N 405.506 1.767 0 50 HDAA Cc1ccc(C(=O)OCCOCCn2cncn2)cc1N1C(=O)[C@@H]2CC=CC[C@H]2C1=O 1875258308 ZCAJJLHMOPABCJ-QZTJIDSGSA-N 424.457 1.916 0 50 HDAA COCC1CCC(Nc2ccc(C(=O)NC[C@@H]3CCN(S(C)(=O)=O)C3)cn2)CC1 1875360775 JCNREOGUNMLRRU-PQUAAJSLSA-N 424.567 1.710 0 50 HDAA COc1cc(C(=O)NS(=O)(=O)c2cc(Br)ccn2)nnc1C1CC1 2325841103 CWSOWWLFDKJQLO-UHFFFAOYSA-N 413.253 1.639 0 50 HDAA Cn1cc(-c2cc(C(=O)N3C[C@@H]4CC[C@H]3[C@H]4NC(=O)CO)c3ccccc3n2)cn1 2325872853 PKBRCCWMPWVJJZ-LPLGYCIKSA-N 405.458 1.347 0 50 HDAA Cc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NCCCn2nnc3ccccc32)cc1 12756586 NWSPXBNNBNAGRB-OAQYLSRUSA-N 420.517 1.637 0 50 HDAA COc1ccccc1N1CCN([C@@H]2CCCN(C(=O)CN3CCCCC3=O)C2)CC1 55154080 CWDMHDYDUAZWOM-LJQANCHMSA-N 414.550 1.821 0 50 HDAA COC(=O)C1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)CC1 65361793 NGMHXNZWAWNKCO-INIZCTEOSA-N 414.911 1.905 0 50 HDAA COC[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)CN(C(=O)c1cc(C)n[nH]1)CC2 77471398 JQAGVLAKYKEONW-KRWDZBQOSA-N 418.519 1.716 0 50 HDAA COCCCN1CC2(CCC1=O)CCN(Cc1cc(=O)n3nc(C)cc3[nH]1)CC2 102541422 BWENQSKLQWTNIC-UHFFFAOYSA-N 401.511 1.572 0 50 HDAA O=C(NC[C@H]1CN(c2ccc(N3CCOCC3=O)cc2)C(=O)O1)c1cccs1 115364628 SJVCANNMDYDYLN-HNNXBMFYSA-N 401.444 1.867 0 50 HDAA in-vitro CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)NCCc1nc(-c3ccccn3)no1)C(=O)C2 670435751 JEBHUJYSGMHPRQ-BFUOFWGJSA-N 404.492 1.989 0 50 HDAA CC(=O)Nc1c[nH]nc1[C@H]1CCCN(C(=O)CN2C(=O)CCOc3ccccc32)C1 1319942060 XXEWAFZCZDWVDF-HNNXBMFYSA-N 411.462 1.890 0 50 HDAA O=C(Cc1c(F)cccc1Cl)N1CCO[C@@]2(CCN(C(=O)c3cnccn3)C2)C1 1857693011 DRDBVRQJEUYFPR-FQEVSTJZSA-N 418.856 1.955 0 50 HDAA O=C(Cc1csc(NC(=O)NC2CC2)n1)NCc1cnc(N2CCOCC2)s1 1875261514 PTHUELNXXIVWAN-UHFFFAOYSA-N 422.536 1.579 0 50 HDAA Cc1nc(CN2C[C@H](O)[C@]3(C2)[C@H](c2ccccc2)[C@H]3CNC(=O)c2cc[nH]n2)no1 2100543350 QJHICQATWMRMNH-UKHYVGRKSA-N 408.462 1.108 0 50 HDAA C=CC(=O)N1CCC[C@H](C(=O)N2CCO[C@H](c3ccc(S(C)(=O)=O)cc3)C2)C1 2325889452 RCFSOBUSEVVOIR-WMZOPIPTSA-N 406.504 1.415 0 50 HDAA O=C1CC[C@@H](N2Cc3cc(C(=O)N4CCC[C@@H]4c4ncccn4)ccc3C2=O)C(=O)N1 2325896363 XAXGRKAWVGAFLQ-IAGOWNOFSA-N 419.441 1.215 0 50 HDAA O=C1CC[C@@H](N2Cc3cc(NC(=O)NC45CC(C(F)F)(C4)C5)ccc3C2=O)C(=O)N1 2325901440 GGFPSLCBHNMEGF-JYMLRBTQSA-N 418.400 1.757 0 50 HDAA COC(=O)C[C@H]1C(=O)NCCN1C(=S)NC(=O)c1ccc(-c2ccccc2)cc1 4867613 OYPZAXGOJLQBBY-KRWDZBQOSA-N 411.483 1.732 0 50 HDAA CCN(CCn1cccn1)Cc1ccc(OC[C@@H](O)CN2CCOCC2)c(OC)c1 12717708 ZZOXACJBEXDMGY-FQEVSTJZSA-N 418.538 1.486 0 50 HDAA COc1nccnc1N1CCC(N2CCC[C@@H](C(=O)NCc3cccnc3)C2)CC1 71759983 MKWSLPMRNJTZST-GOSISDBHSA-N 410.522 1.877 0 50 HDAA Cc1ccc(CN(C)C(=O)[C@@H]2[C@@H]3C=C[C@@]4(CN(CCN5CCCCC5)C(=O)[C@H]24)O3)o1 77405990 MHYVVOYREOYGKL-SRYPRDQNSA-N 413.518 1.814 0 50 HDAA COc1ccc(CCN2C(=O)N[C@@H](CC(=O)NCc3ccncc3)C2=O)cc1OC 170625218 RYVRRRPOGCTEBZ-INIZCTEOSA-N 412.446 1.268 0 50 HDAA biogenic C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)N1C(=O)N[C@@]2(CCCC[C@H]2C)C1=O 248004643 FZVUNNNJSHRHJS-VTJXTGGHSA-N 416.478 1.453 0 50 HDAA COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)Nc2cc(O)ccc2C(=O)OC)c1 253429215 QWFYABPMYUUPLO-UHFFFAOYSA-N 423.399 1.553 0 50 HDAA COc1cc2nc(N3CC[C@@H](N4CCN(C)CC4)[C@H](C)C3)nc(N)c2cc1OC 487094631 QQPLAWYNOSLRCC-RHSMWYFYSA-N 400.527 1.691 0 50 HDAA COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)Nc2cc(C)on2)c1OC 731917253 OOPDQAJIVKXEFT-UHFFFAOYSA-N 411.436 1.273 0 50 HDAA Cc1cccc(N(CC(=O)N[C@H]2CCCN(C(=O)c3ccco3)C2)S(C)(=O)=O)c1 827825736 GAKJSKCDWNHHCG-INIZCTEOSA-N 419.503 1.775 0 50 HDAA O=C(COc1ccc(CN2C[C@H](Cc3ccccn3)[C@@H](O)C2)cc1)N1CCOCC1 1616070503 UQPHWVQNOFVXDY-UGKGYDQZSA-N 411.502 1.355 0 50 HDAA O=C(Cc1cccnc1)N1C[C@H]2CN(C(=O)c3ccc(F)cc3F)C[C@]2(CO)C1 1772705592 YGAKPVSJTVZDQR-BTYIYWSLSA-N 401.413 1.495 0 50 HDAA CSCC(=O)N1C[C@@H]2CN(C(=O)Cc3cccc(F)c3)C[C@@]2(CCC(=O)O)C1 1772807678 RFYNDPRJTMWVQV-YWZLYKJASA-N 408.495 1.883 0 50 HDAA CN(C)C[C@]12CN(C(=O)Cc3cccnc3)C[C@H]1CN(C1CSCCSC1)C2 1772813025 SZMXQRAIIDLOGV-NQIIRXRSSA-N 420.648 1.795 0 50 HDAA CO[C@H]1C[C@@H](C(=O)NCCOc2nonc2C)CC[C@@H]1Nc1cc(C2CC2)ncn1 1857687946 MOCSOBXKFDLLSB-ZOBUZTSGSA-N 416.482 1.836 0 50 HDAA CC(C)C[C@H]1[C@@H](C(=O)NC2CC2)C[C@H]2CN(C(=O)c3cccc(O)n3)CC(=O)N21 1857721838 ILHWOMDOZVNZHM-ZOBUZTSGSA-N 400.479 1.153 0 50 HDAA O=C(CCc1ccsc1)N1CCC[C@H](C2CN(C(=O)c3cc(O)nc(O)n3)C2)C1 1875331409 ZBACWHAGUPHUAJ-AWEZNQCLSA-N 416.503 1.893 0 50 HDAA C=CC(=O)N[C@@H]1CCCO[C@H]1C1CCN(C(=O)C(=O)NCc2ccc(F)cc2)CC1 1875383579 ZTRCQCXFPPHLMS-QUCCMNQESA-N 417.481 1.530 0 50 HDAA CSCC[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)OCc1ccccc1)C(=O)O 4899826 UYQFHHZKLLWKNY-HOTGVXAUSA-N 420.491 1.570 0 50 HDAA COc1cccc(C(=O)N(CCS(=O)(=O)N2CCCCC2)Cc2cnn(C)c2)c1 9547752 FJWBTUXTVRIMEK-UHFFFAOYSA-N 420.535 1.887 0 50 HDAA COc1ccccc1OCC(=O)NC[C@H]1CCCN(C(=O)CN2CCCC2=O)C1 11765626 SBDCXDWXTMMYNQ-MRXNPFEDSA-N 403.479 1.051 0 50 HDAA CCOC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OCC)[C@@H]1c1ccc(NC(C)=O)cc1 13153794 SWCVXGVAEYQOLS-WIRSXHRWSA-N 405.447 1.811 0 50 HDAA COc1ccc(CCN2C(=O)C[C@H](N3CCN(c4ccccn4)CC3)C2=O)cc1OC 18181297 ITYBBGVECHLGBK-SFHVURJKSA-N 424.501 1.591 0 50 HDAA CC(C)CCN1CCNC(=O)[C@@H]1CC(=O)N(C)CCN1CCc2ccccc2C1 20449543 HPHFHFZZKZOTAB-NRFANRHFSA-N 400.567 1.740 0 50 HDAA Cc1cccc(-c2noc(CNC(=O)[C@H]3CCCN(S(=O)(=O)N(C)C)C3)n2)c1 67622103 ZDWGZPYILKEKGV-HNNXBMFYSA-N 407.496 1.180 0 50 HDAA CCn1ccc(C(=O)N2CCC(N3CCC[C@@H](C(=O)N4CCCC4)C3)CC2)cc1=O 71746409 ZYEDZWDFIXEROU-LJQANCHMSA-N 414.550 1.807 0 50 HDAA COc1ccc(OC)c([C@@H]2N[C@H](C(=O)O)[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]23)c1 226306079 PDDAKTMCYSHELE-BDXSIMOUSA-N 414.389 1.746 0 50 HDAA C[C@@H]1Sc2ccc(C(=O)NCCCN3CCC[C@H]3C(=O)N(C)C)cc2NC1=O 247963638 FXOBBRDJNYDYRA-BBRMVZONSA-N 404.536 1.792 0 50 HDAA CC(C)C(=O)N1CCn2nc(CNC3CCN(C(=O)[C@@H]4CCCO4)CC3)cc2C1 426510213 LZKRCBTVSQZFLP-IBGZPJMESA-N 403.527 1.141 0 50 HDAA O=C1CC[C@@H](CN(Cc2ccncc2)S(=O)(=O)c2ccc3c(c2)OCCCO3)N1 952970368 ORSPJURTKFOIQR-INIZCTEOSA-N 417.487 1.712 0 50 HDAA CN(C)S(=O)(=O)C[C@@H]1CN(C(=O)c2cccc(-c3ccc(O)cc3)c2)C[C@@H]1O 1529153119 QHXYNTVJFSJMOV-HKUYNNGSSA-N 404.488 1.384 0 50 HDAA COC(=O)c1ccncc1S(=O)(=O)N1CCN(C(=O)c2ccc(F)cc2)CC1 2325819555 ITIASOVTTNIMKW-UHFFFAOYSA-N 407.423 1.154 0 50 HDAA Cc1ccc([C@H](O)CCN(C)S(=O)(=O)c2cnc3nc(O)nc(O)c3c2)s1 2325825795 BWULYZCLGAFNCQ-GFCCVEGCSA-N 410.477 1.550 0 50 HDAA CCN1C[C@H](C(=O)N2CCCC[C@H](NC(=O)c3c(F)cc(N)cc3F)C2)CCC1=O 2325864334 MKCDBIRKCCKBQX-HIFRSBDPSA-N 422.476 1.916 0 50 HDAA COCC(=O)N1CCCN(C(=O)c2cc3c(s2)C2(CCNCC2)OCC3)CC1 2356155095 XBKVTJGYMRHEJI-UHFFFAOYSA-N 407.536 1.220 0 50 HDAA O=C(Cc1c(F)cccc1Cl)NCCn1cc(C(=O)N2CCSCC2)nn1 12332008 SIHBKVLFUZTZSN-UHFFFAOYSA-N 411.890 1.619 0 50 HDAA O=C1N[C@@H](Cc2ccc(O)cc2)C(=O)N2C[C@@H](NCc3ccc(F)cc3F)C[C@@H]12 14542810 IZQFEHQPIGIAET-SNRMKQJTSA-N 401.413 1.471 0 50 HDAA COc1ccc(OC[C@@H](O)CN(C)C)c(CN2CCC(N3CCOCC3)CC2)c1 20455870 RUBWRMHIPPSPSB-FQEVSTJZSA-N 407.555 1.293 0 50 HDAA O=S(=O)(NCc1nnc2n1CCN(Cc1ccccc1F)CC2)c1ccccc1 20994037 PXQKRCFNCLNPLB-UHFFFAOYSA-N 415.494 1.954 0 50 HDAA CC1(C)CC(NS(=O)(=O)c2sc3c(c2C(=O)O)CCNC3)CC(C)(C)N1 67867608 PLTUHGAMPNXIJL-UHFFFAOYSA-N 401.554 1.680 0 50 HDAA CCCCN1CCN([C@@H](C(=O)N(C)C2CCN(C)CC2)c2ccccc2)C(=O)C1=O 77376245 LKVWTTXVMDYOIG-HXUWFJFHSA-N 414.550 1.751 0 50 HDAA CN(C)C(=O)CNC(=O)[C@@H]1CCCN(C2CCN(CCc3ccccc3)CC2)C1 82157634 ZAZBQUHQQUMJMB-HXUWFJFHSA-N 400.567 1.610 0 50 HDAA CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1=O 170596628 JKCGZYJOKNSZSX-NEPJUHHUSA-N 407.339 1.889 0 50 HDAA O=C1NC[C@@H](O)Cn2nc(C(=O)N(CCc3ccccc3)Cc3ccccc3)cc21 426619954 AOANIONLNLJAKQ-LJQANCHMSA-N 404.470 1.873 0 50 HDAA CS(=O)(=O)NC[C@@H]1CCCN(S(=O)(=O)N2CCC3(CCCCC3)CC2)C1 480941004 VPSRCCIDBZOOCN-INIZCTEOSA-N 407.602 1.539 0 50 HDAA CSCC(=O)N1C[C@@H]2CN(CCC(=O)N3CCc4ccccc4C3)C[C@@]2(CO)C1 1772710594 BWDYRZRQPPELNS-UGKGYDQZSA-N 417.575 1.077 0 50 HDAA CCn1cc(CN2CCC[C@@]3(C(=O)NCCN4CCCC4)CCN(C)C[C@H]23)cn1 1772816904 WTPBETKKDMVZMJ-RBBKRZOGSA-N 402.587 1.401 0 50 HDAA O=C(CO)N1CCC2(CCc3c2nc(-c2ccccc2)[nH]c3=NC[C@H]2CCCO2)CC1 1857693086 HOLRVQZZPLLMOO-GOSISDBHSA-N 422.529 1.955 0 50 HDAA O=S(=O)(N1CCCC1)N1CCC[C@@]2(CCc3c(O)nc(-c4cccnc4)nc32)C1 1857697010 HZEYGAQZGWMUGT-HXUWFJFHSA-N 415.519 1.865 0 50 HDAA CCc1ncc(C(=O)N2CCC3(CCc4c(O)nc(N5CCOCC5)nc43)CC2)cn1 1857714533 CPUSAZPFCWXITD-UHFFFAOYSA-N 424.505 1.491 0 50 HDAA O=C1NC(=O)[C@]2(CCCN(C(=O)c3cc(-c4ccccc4)n(-c4ccccn4)n3)C2)N1 2325750148 WUYBTUOBERSEBZ-JOCHJYFZSA-N 416.441 1.749 0 50 HDAA NC1(CNC(=O)c2ccc3c(c2)CN([C@H]2CCC(=O)NC2=O)C3=O)CCCCCC1 2325895729 HVBCVQRTNIUKOV-KRWDZBQOSA-N 412.490 1.229 0 50 HDAA COc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)NCc2ccccc2)ccc1OCC(N)=O 679321 UDPASUYEBVHJBI-FQEVSTJZSA-N 424.457 1.504 0 50 HDAA C[C@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)[C@@H](C)O)C(=O)OCc1ccccc1 4760508 CFFMJNNORXMBEJ-FCEWJHQRSA-N 414.458 1.910 0 50 HDAA COc1ccc(F)cc1S(=O)(=O)N(C)CC(=O)N1CCN(c2ccccc2)CC1 12844130 RLOVQGHYPQGIPV-UHFFFAOYSA-N 421.494 1.804 0 50 HDAA Cn1c(=O)c(Oc2ccc(F)cc2F)cc2cnc(NC(CCO)CCO)nc21 30691792 JYYLVUFNAHSSFE-UHFFFAOYSA-N 406.389 1.944 0 50 HDAA in-man O=S(=O)(c1cccc(Cl)c1)N1CCN(c2cc(-n3ccnc3)ncn2)CC1 67603833 BLFBMMOANSZQLF-UHFFFAOYSA-N 404.883 1.827 0 50 HDAA COC[C@H](C)n1c(CCCC(=O)N2CC(N3CCOCC3)C2)nc2cccnc21 77439202 BHZXLTQVWMOFTR-INIZCTEOSA-N 401.511 1.504 0 50 HDAA Cc1cnc(CN2CC3(CCC2=O)CCN(C(=O)c2snnc2C)CC3)cn1 92028533 PUECLOPHGPIWBC-UHFFFAOYSA-N 400.508 1.990 0 50 HDAA CN1CCN([C@H]2CCN(C(=O)c3ccc(N(C)C)nc3)C[C@H]2CCC(=O)O)CC1 95364631 HOSNBPUBZLFAAA-MSOLQXFVSA-N 403.527 1.091 0 50 HDAA CCOc1ccc([C@H](O)c2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc2Cl)cc1 116499862 CUYACVYWMLAWJY-WMDQAZIPSA-N 424.877 1.335 0 50 HDAA in-vitro CSc1nc2nc(C)c(CC(=O)N3CCC[C@H](CN4CCOCC4)C3)c(C)n2n1 225757910 MEGKLAXMAKIGSG-MRXNPFEDSA-N 418.567 1.576 0 50 HDAA CN(Cc1ccsc1)C(=O)Cn1nnnc1[C@H](c1ccccc1)N1CCOCC1 426707443 PVZIUIMCZDPDFR-IBGZPJMESA-N 412.519 1.815 0 50 HDAA O=C(C1CCN([C@H]2CCS(=O)(=O)C2)CC1)N1CCOc2ccc(Cl)cc2C1 1506428257 ONGQHZVOJNOKDL-KRWDZBQOSA-N 412.939 1.960 0 50 HDAA NC(=O)c1cccc(C(=O)N[C@@H]2CCCCN(C(=O)CCCC(F)(F)CO)C2)c1 2325864273 KZPVZHBLXQHIHJ-MRXNPFEDSA-N 411.449 1.694 0 50 HDAA CNC(=O)c1cc(NC(=O)C2=CCN(C(=O)OC(C)(C)C)CC2)cc(C(=O)NC)c1 2325873029 WGEWHIILGXEPIH-UHFFFAOYSA-N 416.478 1.912 0 50 HDAA COc1ccc(CCNS(=O)(=O)c2ccc([C@H]3CNC(=O)C3)cc2)cc1OC 1060301 FFTSGPSOPOGGIB-MRXNPFEDSA-N 404.488 1.828 0 50 HDAA COCCCn1c(C)c(C)n2c3c(=O)n(CCN4CCCCC4)c(=O)n(C)c3nc12 4314338 MGILRLSICVEJBE-UHFFFAOYSA-N 416.526 1.289 0 50 HDAA CCOc1ccccc1CN1CCNC(=O)[C@@H]1CC(=O)N(C)CC1CCOCC1 12717267 RXDTWTFEGIEHPM-IBGZPJMESA-N 403.523 1.661 0 50 HDAA CCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(C(=O)N3CCN(C)CC3)cc2)C1 65362741 JGJSZLQROHCOKI-QGZVFWFLSA-N 422.551 1.074 0 50 HDAA COCCN1C(=O)C[C@@H](CNc2nn3cc(C)nc3s2)[C@@H]1c1cnn(C(C)C)c1 328605405 NGHVJJZDXIYQGN-WMLDXEAASA-N 417.539 2.525 0 50 HDAA Cc1ccc(N2CCOCC2)cc1N[C@@H](C)C(=O)N1CCN(c2ncccn2)CC1 797425722 TVZSVINAHHSIDZ-SFHVURJKSA-N 410.522 1.771 0 50 HDAA CC[C@@H](C)N(C)C(=O)C1CC2(C1)C[C@H](NC(=O)c1cc(C)on1)CCS2(=O)=O 952876325 MOMZPVOUOJZAOK-AOLYHKMPSA-N 411.524 1.696 0 50 HDAA Cc1nc(N2CCC3(CC2)CN(C(=O)c2ccc(=O)n(C)n2)CCO3)sc1C 952979818 ALSBOLANDVUDPR-UHFFFAOYSA-N 403.508 1.365 0 50 HDAA O=C(c1cncc(N2CC[C@H](O)[C@@](Cc3ccccc3)(C(=O)O)C2)n1)N1CCCC1 1704300413 VJGGQIFLZKGXBL-AVRDEDQJSA-N 410.474 1.597 0 50 HDAA Cc1noc(CN2CCC3(CC2)C[C@](C)(NC(=O)c2cccnc2)[C@@H](O)CO3)n1 1772711968 ZBOMPOAGNBXPQJ-LPHOPBHVSA-N 401.467 1.078 0 50 HDAA CCN1CC[C@@H]2C[C@@H](N3CCOCC3)CC[C@@]2(C(=O)NCCc2cnn(C)c2)C1 1857684336 JMZCSZHTCFULAZ-RZUBCFFCSA-N 403.571 1.292 0 50 HDAA Cc1ccc(=NCCCNC(=O)[C@@]23CC[C@H](N4CCOCC4)C[C@H]2CCNC3)[nH]c1 1857689486 FSBQLLMJUGQGJS-ZRCGQRJVSA-N 415.582 1.211 0 50 HDAA Cc1ccn([C@H](C)CC(=O)NCC2(F)CCN(C(=O)c3cncc(N)n3)CC2)n1 1875353365 QACMZJFWAYTBOA-CQSZACIVSA-N 403.462 1.276 0 50 HDAA CC[C@@H](C(=O)NCc1ccccc1OCc1cn([C@H](C)C(=O)O)nn1)n1ccnc1 1875357049 ZDNDNGOISZRLCI-PBHICJAKSA-N 412.450 1.967 0 50 HDAA C=CC(=O)NCc1ccc(C(=O)N[C@@H]2COCCN(C(=O)OC(C)(C)C)C2)cc1 1875370494 QWTQTJHBISUYNP-KRWDZBQOSA-N 403.479 1.855 0 50 HDAA COC(=O)N[C@H](C)C(=O)N1CCC2(CCc3c(O)nc(-c4cccnc4)nc32)CC1 1940196091 JVRZJBSLETYOIY-CYBMUJFWSA-N 411.462 1.795 0 50 HDAA Cn1ncc2ncc(C(=O)N3CCCCN4CCCC[C@@H]4CC(=O)NCCC3)cc21 2100533696 WECXCTOILAUGMQ-GOSISDBHSA-N 412.538 1.955 0 50 HDAA O=C1CC[C@@H](N2Cc3c(C(=O)N[C@@H]4CCc5ccccc54)cccc3C2=O)C(=O)N1 2325895952 NELXLEPLQRSMEF-RTBURBONSA-N 403.438 1.865 0 50 HDAA CCn1c(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)nnc1-c1ccncc1 2371709 PXTBFFZUTNFNSC-UHFFFAOYSA-N 418.504 1.738 0 50 HDAA CC(C)CCN1CCNC(=O)[C@@H]1CC(=O)N1CCC(OCc2cccnc2)CC1 11821955 LGXPQSHNRGDBMY-FQEVSTJZSA-N 402.539 1.826 0 50 HDAA COc1ccccc1CCCNC(=O)[C@@H]1CCC(=O)N(CCCN2CCCC2=O)C1 11933826 HKLAVYKUTRZDAP-LJQANCHMSA-N 415.534 1.995 0 50 HDAA O=C(Cc1cccs1)N1CCC(N2CCC(C(=O)N3CCOCC3)CC2)CC1 12314933 KBRARTHORAUHTQ-UHFFFAOYSA-N 405.564 1.852 0 50 HDAA CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NCCc3cccs3)c2)CC1 12379414 GKXSAKQUVJQOJH-UHFFFAOYSA-N 421.544 1.573 0 50 HDAA CCCCN1CCN([C@H](C(=O)NCc2cc(C)nn2C)c2ccccc2)C(=O)C1=O 77542382 PSFZRFUTKGWGAM-IBGZPJMESA-N 411.506 1.557 0 50 HDAA C[C@@H]1Oc2ccccc2N(CC(=O)NC2CCN([C@@H]3CCCC[C@H]3O)CC2)C1=O 242292580 YNLHLKONCYNHNY-KVSKMBFKSA-N 401.507 1.685 0 50 HDAA COc1cccc(CN2CCC[C@]3(CCN(C(=O)C4(CO)CC4)C3)C2=O)c1OC 426477673 DMLMCHXMEBIHSH-OAQYLSRUSA-N 402.491 1.817 0 50 HDAA CCn1ncnc1CN1C[C@@H]2[C@H](CNC(=O)c3ccc(OC)cc3)[C@H]3CC[C@]2(C1)O3 1704349146 KGNJFQQQSODLOU-JZJXAQOMSA-N 411.506 1.716 0 50 HDAA O=C(C1CCOCC1)N1C[C@@H]2CN(c3nccc(C(F)(F)F)n3)C[C@@]2(CO)C1 1772813092 VRHCDAOQEGCKOS-CXAGYDPISA-N 400.401 1.179 0 50 HDAA O=C(CCc1cnccn1)N[C@@H]1[C@H]2CC[C@@H]1CN(S(=O)(=O)c1ccccc1)C2 1857684877 ILWXFPJOGNPMDS-IGOJGBNBSA-N 400.504 1.625 0 50 HDAA COc1ccc(C(=O)N[C@@H]2CO[C@@H]3[C@H](O)CO[C@H]23)cc1Oc1ccc(CN)cc1F 1857698560 XXUWYTNSWTXPSQ-PBGAUENZSA-N 418.421 1.342 0 50 HDAA CN(C)C[C@@H]1OCCN(C(=O)CN2CCOc3ccccc3C2)[C@H]1c1cnn(C)c1 1857716755 RUFQURYIYWTYKY-UNMCSNQZSA-N 413.522 1.145 0 50 HDAA COC(=O)c1cn([C@@H]2C[C@@H](C(=O)NCCc3ccccc3)N(Cc3ccoc3)C2)nn1 11880734 PKBFZDBLTDMIEU-QUCCMNQESA-N 423.473 1.832 0 50 HDAA O=C(c1cn(Cc2ccccc2F)nn1)N1CCC[C@H](C(=O)N2CCOCC2)C1 12431340 AXCRSLBLJCDQLU-INIZCTEOSA-N 401.442 1.177 0 50 HDAA Cc1cccc(C(=O)N[C@H]2C[C@H]3C(=O)N[C@@H](COCc4ccccc4)C(=O)N3C2)c1 14534010 NAUZOJGJIWJRKI-UFYCRDLUSA-N 407.470 1.410 0 50 HDAA O=C(NC[C@H]1CCCO1)[C@@H]1C[C@H](CN2CCOCC2)CN(Cc2ccccc2)C1 14539602 WXEQPHSDHGCLRX-YPAWHYETSA-N 401.551 1.752 0 50 HDAA Cc1nn(C)cc1[C@@H](C)NC(=O)c1cc(C(=O)N[C@H](C)c2cn(C)nc2C)n(C)n1 20617471 BZIPLKSJJQJHMR-VXGBXAGGSA-N 412.498 1.486 0 50 HDAA Cc1ccc(CNS(=O)(=O)c2ccc3c(c2)CN(C(=O)[C@H](O)C(C)C)CC3)o1 77406156 VFIAPOOEOXQKDK-LJQANCHMSA-N 406.504 1.968 0 50 HDAA Cc1cn2nc(C(=O)N3CCC(NC(=O)c4cccc(N(C)C)c4)CC3)cc2c(=O)[nH]1 169780847 KEEBUFQALGFJRZ-UHFFFAOYSA-N 422.489 1.432 0 50 HDAA O=C(C[C@H]1N=C(O)N(Cc2ccccc2)C1=O)N1CCN(CCc2ccncc2)CC1 252550563 STJIEGBYDQUPAK-HXUWFJFHSA-N 421.501 1.483 0 50 HDAA CN(Cc1ccc2c(c1)CN(C(=O)[C@@H]1CNC(=O)C1)CCO2)Cc1cc(C2CC2)[nH]n1 299757240 JZMKURMADBCGIY-KRWDZBQOSA-N 423.517 1.776 0 50 HDAA C[C@H](Nc1cc(N[C@H](C)C2(S(C)(=O)=O)CC2)ncn1)C1(S(C)(=O)=O)CC1 328592896 IZIRWQZEGZCZEE-TXEJJXNPSA-N 402.542 1.232 0 50 HDAA Cc1cccc(-n2nnnc2S[C@H](C)C(=O)N2CCC(CO)(CN(C)C)CC2)c1 1772704962 VJINJNNPORWKCH-MRXNPFEDSA-N 418.567 1.614 0 50 HDAA Cc1cc(F)ccc1C(=O)N[C@@H]1CS(=O)(=O)C[C@H]1n1ccnc1-c1cnc[nH]1 1857715883 MRZGUBWCFPPQQS-HZPDHXFCSA-N 403.439 1.489 0 50 HDAA CCc1nc(-c2ncccn2)sc1C(=O)N1CC[C@@H](O)[C@@](CO)(CCCOC)C1 1857718412 IISAUDRJVOUOQM-QRWLVFNGSA-N 420.535 1.775 0 50 HDAA CN(C)[C@@H]1CS(=O)(=O)[C@H]2CN(S(=O)(=O)c3ccc(C(C)(C)C)cc3)C[C@@H]12 1857739796 SUIYSMPNCKRJCZ-BBWFWOEESA-N 400.566 1.332 0 50 HDAA COCCn1cc2c(=N[C@H](C)c3ccc(S(C)(=O)=O)c(OC)c3)ncnc-2[nH]1 1875315541 ZCODQSMTOMTVEW-GFCCVEGCSA-N 405.480 1.431 0 50 HDAA COc1cccc(C[C@@H](C(=O)Nc2cc(-c3n[nH]c(C)n3)ccn2)n2nnnc2C)c1 1875351329 SCGAWPHODPNHNE-KRWDZBQOSA-N 419.449 1.901 0 50 HDAA COc1ccc2cc(CNC(=O)COCCCn3cc(CC(=O)O)nn3)ccc2c1 1875355384 IQCAVGZDISKXLG-UHFFFAOYSA-N 412.446 1.790 0 50 HDAA Cn1cc(-c2ccoc2C(=O)N2CCN(C(=O)[C@]34C[C@H]3COC43CCC3)CC2)cn1 2325838981 FKPKTEXVZITXLE-AOMKIAJQSA-N 410.474 1.924 0 50 HDAA CCc1nc([C@H](N)C(=O)NS(=O)(=O)c2cnn(-c3cccc(C)c3)c2)cs1 2325841501 XIMKLYQDZXBACN-INIZCTEOSA-N 405.505 1.705 0 50 HDAA CCN1C[C@H](C(=O)N2CCCC[C@H](NC(=O)[C@@H]3CCC[C@H](C(N)=O)C3)C2)CCC1=O 2325864171 IFRIELWOZPBBFE-MLHJIOFPSA-N 420.554 1.034 0 50 HDAA CS(=O)(=O)N(CC(=O)N1CCCC1)c1ccc(I)cc1 1142624 IBQRMCNKNWRUOS-UHFFFAOYSA-N 408.261 1.680 0 50 HDAA CCN(CC)CCNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(F)cc1 4812655 NUQZVNRZNAJTAV-UHFFFAOYSA-N 402.474 1.375 0 50 HDAA biogenic O=C(c1n[nH]cc1I)N1N=C(C(F)F)C[C@@]1(O)C(F)F 6413855 YCBNTCQRHHRLJE-SECBINFHSA-N 406.077 1.435 0 50 HDAA Cc1nonc1CN(C)Cc1cnc(S(=O)(=O)CC2CC2)n1C[C@@H]1CCCO1 20407104 VTBPXVRJCLLXLK-INIZCTEOSA-N 409.512 1.569 0 50 HDAA O=C1CC[C@@H](C(=O)N2CCN(c3ccccc3)CC2)CN1CCCN1CCOCC1 20995985 WSTHYEQSWNALMI-HXUWFJFHSA-N 414.550 1.296 0 50 HDAA CC(C)NC(=O)CN1CCN(Cc2c(C(=O)N3CCCC3)nc3sccn23)CC1 23231746 AFNFZPLNXYIHLM-UHFFFAOYSA-N 418.567 1.274 0 50 HDAA O=C(Cc1c[nH]c2ccccc12)N1CCN(c2ccnc(N3CCOCC3)n2)CC1 82230589 AVHTXLSKZQWQIR-UHFFFAOYSA-N 406.490 1.686 0 50 HDAA COCc1nnc(NC(=O)CC[C@H]2N=C(O)N(CCc3ccccc3)C2=O)s1 252551323 UBXYTWVESNFZBP-CYBMUJFWSA-N 403.464 1.771 0 50 HDAA COC(=O)C[C@H](c1cc(OC)c2c(c1)OCO2)c1c(O)ncc(C(=O)OC)c1O 253623953 VOAAHBQVVOSCEE-SNVBAGLBSA-N 405.359 1.712 0 50 HDAA biogenic O=C(Cc1ccc(F)cc1)NC[C@H]1CN(C2CCN(C3CCC3)CC2)C(=O)CO1 299782011 MDALSTHEYJCABF-FQEVSTJZSA-N 403.498 1.729 0 50 HDAA O=C(Nc1cnn(CCN2CCOCC2)c1)N[C@]1(CO)CCOc2ccccc21 441633469 KFZFMIHGNHZBID-FQEVSTJZSA-N 401.467 1.007 0 50 HDAA Cn1cc(-c2nc([C@H]3COCCN3C(=O)c3ccc4c(c3)NC(=O)C4(C)C)no2)cn1 498726683 AEPGYCBCLLJZHR-MRXNPFEDSA-N 422.445 1.914 0 50 HDAA COCCC1CCN(S(=O)(=O)c2ccc(NS(=O)(=O)N(C)C)cc2)CC1 824384116 JZPPKYGLIQOEDV-UHFFFAOYSA-N 405.542 1.342 0 50 HDAA COc1ccc(C(=O)N2CCC(C(=O)NCCn3c(C)cc(C)nc3=O)CC2)cc1 824648578 CCVHHHBGRUWUOL-UHFFFAOYSA-N 412.490 1.537 0 50 HDAA Cc1cccnc1CC(=O)NC[C@@H]1CN(CC2CCN(CC3CC3)CC2)C(=O)CO1 1857698048 UHMZNDKAKSEEIO-HXUWFJFHSA-N 414.550 1.398 0 50 HDAA O=C1C[C@@H]2CC[C@H](CNC(=O)c3cc(F)ccc3OCCN1)N2C(=O)c1cc[nH]c1 1857711453 ANLGXYJOLXIOQU-JKSUJKDBSA-N 414.437 1.456 0 50 HDAA COc1cccc(-c2ccc(C(=O)N3C[C@H](O)[C@H](CS(=O)(=O)N(C)C)C3)o2)c1 1857725240 YEBUYLWBZAQGBS-HOCLYGCPSA-N 408.476 1.280 0 50 HDAA O=C(c1ccccc1-n1cncn1)N1CC[C@](Cc2ccccc2)(C(=O)O)[C@H](O)C1 1940193515 KNZKPJBIRMSPCC-DENIHFKCSA-N 406.442 1.788 0 50 HDAA O=C(CCCn1cncn1)N[C@H]1CCC[C@@H](CN2CCN(c3ncccn3)CC2)C1 2100480678 OTQUNACXLGIBHN-MOPGFXCFSA-N 412.542 1.346 0 50 HDAA CCC1CCN(C(=O)COc2cccc3c2CN([C@H]2CCC(=O)NC2=O)C3=O)CC1 2325897429 WWZHAFBTTPDRNF-KRWDZBQOSA-N 413.474 1.475 0 50 HDAA COc1cccc(C[C@H]2[C@H]3C[C@H](CN(C(=O)CNC(C)=O)C3)[C@@H]3CCCC(=O)N23)c1 2356133894 KOZAKCMYGPPQNI-ZFMNYDKASA-N 413.518 1.602 0 50 HDAA CCCN1C(=O)N[C@H](CC(=O)N2CCC3(CC2)OCCc2cc(OC)ccc23)C1=O 2356144759 KXSCIOGUIXOVNP-GOSISDBHSA-N 415.490 1.806 0 50 HDAA COc1cc2c(cc1OC)C1(CCN(S(=O)(=O)c3c(C)cnn3C)CC1)OCC2 2356155643 KYSVSZHJBVPQHK-UHFFFAOYSA-N 421.519 1.998 0 50 HDAA CC(=O)NC[C@@H]1[C@@H](c2ccccc2)[C@]12CN(C(=O)c1ccc3c(c1)CCO3)C[C@@H]2O 2356164953 NDLMQSVVAVGXED-NQRVTCLYSA-N 406.482 1.974 0 50 HDAA O=C(NCC(=O)N1CCN(C(=O)c2ccco2)CC1)c1ccc(Br)o1 4520675 ZUMMLBAUTPFBFX-UHFFFAOYSA-N 410.224 1.350 0 50 HDAA C[C@@H]1CN(S(=O)(=O)c2ccc(Br)c(S(C)(=O)=O)c2)C[C@@H](C)O1 6730493 DUPSHSIVABYJGY-NXEZZACHSA-N 412.327 1.651 0 50 HDAA COc1ccc(S(=O)(=O)N2CCN(c3ccc(C)nn3)CC2)c(OC)c1OC 65365874 PFHOAVFQDBCLLP-UHFFFAOYSA-N 408.480 1.322 0 50 HDAA Cc1cn([C@@H]2O[C@H](CC(=O)Oc3ccccc3)[C@@H]3OC(C)(C)O[C@H]32)c(=O)[nH]c1=O 229980160 LYVAXTPGEBXFJT-NOVWEMISSA-N 402.403 1.258 0 50 HDAA COc1ccc(CCN2C(=O)[C@@H](CC(=O)NCCc3ccc(O)cc3)N=C2O)cc1 252538296 MWLMHXWDOYVAHR-LJQANCHMSA-N 411.458 1.817 0 50 HDAA CNc1ccnc(N2CC[C@]3(CCCN(Cc4cccc(OC)c4OC)C3=O)C2)n1 426396342 CWSFSWKZGWAXMU-JOCHJYFZSA-N 411.506 2.555 0 50 HDAA CS(=O)(=O)N1CCC[C@@H](c2nnc3sc(-c4ccc5c(c4)OCO5)nn23)C1 951727027 VESOBMYQIZAWEZ-LLVKDONJSA-N 407.477 1.721 0 50 HDAA CN(C[C@H]1CCCN(CCO)C1)S(=O)(=O)c1cc(C(=O)O)c(Cl)cc1F 1506414736 RPMBXNIRGHNXQC-LLVKDONJSA-N 408.879 1.502 0 50 HDAA Cn1nc(-c2ccccc2)c2c1CCN(C(=O)NC[C@H]1CCS(=O)(=O)C1)CC2 1857668112 AOBVJNVTGQYHFF-OAHLLOKOSA-N 402.520 1.632 0 50 HDAA COc1ccc2nc(CNC(=O)[C@@]34CCCCN3C[C@@H](NC(=O)C3CC3)C4)[nH]c2c1 1857684950 LDBBAXWXCCABBN-NYHFZMIOSA-N 411.506 1.711 0 50 HDAA CCN1CC[C@@H]2C[C@@H](N3CCOCC3)CC[C@@]2(C(=O)NCc2nncn2C(C)C)C1 1857685878 YQVTUOPAAVJCSS-XQBPLPMBSA-N 418.586 1.688 0 50 HDAA Cc1noc(C)c1S(=O)(=O)N1C[C@@H]2COC[C@]2(C(=O)NCCC2CCCC2)C1 1857689828 ZEGSTSPPLWHHLL-VQIMIIECSA-N 411.524 1.625 0 50 HDAA CN(C(=O)CCCn1ccnn1)[C@H]1CCCC[C@H]1N(C)C(=O)CCCn1ccnn1 2325724260 USMGQKXVTMZFMV-HDICACEKSA-N 416.530 1.358 0 50 HDAA Cc1cc(C)n(CCCNC(=O)c2cccc(-c3nc(N4CCOCC4)n[nH]3)c2)n1 2356135910 YESVXQPXSOPJHQ-UHFFFAOYSA-N 409.494 1.942 0 50 HDAA COc1ccc([C@H]2NC(=O)CO[C@@H]2C(=O)NCc2ncccc2Cl)cc1OC 2356149887 DLNHLSNMXFZIPF-MSOLQXFVSA-N 405.838 1.625 0 50 HDAA CCOC(=O)[C@H](C)Sc1nc2c(c(=O)[nH]c(=O)n2C)n1CCc1ccccc1 633224 IXCGWECAOLVNFJ-LBPRGKRZSA-N 402.476 1.710 0 50 HDAA CC(=O)Cn1c(=O)c2c(nc(-n3nc(C)c(C)c3C)n2Cc2ccccc2)n(C)c1=O 12518411 IMFTUAZVCJGIOQ-UHFFFAOYSA-N 420.473 1.645 0 50 HDAA Cc1noc(C)c1CO[C@@H]1CN(CC(C)C)C(=O)CN(C(=O)C2CCOCC2)C1 14532225 RROLOWXHXGMVRT-GOSISDBHSA-N 407.511 1.930 0 50 HDAA CCOC(=O)c1cc(C)nc2c1c(=O)n(CC(=O)Nc1ccccc1F)c(=O)n2C 20168576 KWEKMLVKWUEINE-UHFFFAOYSA-N 414.393 1.358 0 50 HDAA NC(=O)[C@@H]1CCCN(C(=O)c2coc(CN3CCN(Cc4ccccc4)CC3)n2)C1 20453552 VSBXSABLQCEMBH-GOSISDBHSA-N 411.506 1.330 0 50 HDAA CC(=O)N1CCN(Cc2cnc(S(=O)(=O)C(C)C)n2CCc2ccccc2)CC1 20453616 DHYRRIFEVZAFNK-UHFFFAOYSA-N 418.563 1.972 0 50 HDAA C[C@@H](Cn1cncn1)NC(=O)c1coc(CN2CCN(Cc3ccccc3)CC2)n1 23359388 NHTXIFOCEUJIOQ-KRWDZBQOSA-N 409.494 1.402 0 50 HDAA COCCCn1c(CN2CCN(CC(C)C)C(=O)[C@@H]2C)cnc1S(C)(=O)=O 55042312 RVQQFLFBBSIRDQ-HNNXBMFYSA-N 400.545 1.012 0 50 HDAA CNC(=O)CN(C)C(=O)[C@@H]1CCCN(C2CCN(c3nc4ccccc4o3)CC2)C1 71764821 HVKLXFFYKVOPLV-MRXNPFEDSA-N 413.522 1.713 0 50 HDAA Cc1ccc(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N(C)Cc3nccn3C)[C@@H]4C2=O)cc1C 77319213 ICJQRSWUNREKRF-WTMJVXIESA-N 420.513 1.978 0 50 HDAA C[C@H](CC(=O)NCc1cc2n(n1)CCCN(C(=O)C1CCC1)C2)N1CCOCC1 91781333 ZVTKLLNBTXLFOR-MRXNPFEDSA-N 403.527 1.143 0 50 HDAA COCC(=O)N1CCC(Oc2ccc(C(=O)N(C)Cc3nnc(C)o3)cc2)CC1 95504354 JHJFZJUFVPPLLD-UHFFFAOYSA-N 402.451 1.666 0 50 HDAA COC(=O)C1(C(=O)N[C@@H]2CCN([C@@H](C(=O)OC(C)(C)C)c3ccccc3)C2=O)CC1 170608637 UWRBRTVSJFHSQB-HZPDHXFCSA-N 416.474 1.740 0 50 HDAA CC(C)n1c([C@@H]2CCCN(S(=O)(=O)N3CCN(C=O)CC3)C2)nc2ccccc21 225673895 DKFDTFRRLBZKBE-QGZVFWFLSA-N 419.551 1.815 0 50 HDAA CC(=O)OC(OC(C)=O)[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3ccc(C(C)=O)cc3)C(=O)[C@@H]12 226649547 MEVYGRCLEKIXBW-WOYCLPQFSA-N 413.382 1.155 0 50 HDAA O=C1[C@@H]2[C@@H](C(=O)N1c1nccs1)[C@H]1C=C[C@@H]2[C@H]2C(=O)N(c3nccs3)C(=O)[C@@H]12 244933339 CMPOSIGUSGELIZ-ROUNHJLISA-N 412.452 1.327 0 50 HDAA Cc1cc(C(=O)NC[C@@H]2CN(CC3CCN(CC4CC4)CC3)C(=O)CO2)cc(C)n1 299775559 DTKUJXPHTUKTQE-OAQYLSRUSA-N 414.550 1.778 0 50 HDAA Cc1cccc(CN2CCNC(=O)[C@@H]2CC(=O)NC(C)(C)c2nnc(N)s2)c1 426534098 SBPNMJHWSRFOBL-AWEZNQCLSA-N 402.524 1.171 0 50 HDAA CN1CCC2(CCN(C(=O)[C@@H]3CCCCN3S(=O)(=O)c3ccccc3)CC2)C1=O 445261276 SOQQUKAWEDZKJL-SFHVURJKSA-N 419.547 1.701 0 50 HDAA C[C@@H](CN1CCc2ccccc2C1)NS(=O)(=O)c1ccc2oc(=O)n(C)c2c1 670441751 SSQNRBAADDSHQS-AWEZNQCLSA-N 401.488 1.857 0 50 HDAA O=C(C1CCOCC1)N1CCC(N2C[C@H](COc3ccc(F)cc3)OCC2=O)CC1 1857670716 FKVAHKNNXAOACE-HXUWFJFHSA-N 420.481 1.850 0 50 HDAA Cc1ccc2c(c1)C(=O)NCCN(C(=O)C1CCOCC1)CCCC(=O)NCCO2 1857671400 RKPCPUWYUZEHDE-UHFFFAOYSA-N 417.506 1.269 0 50 HDAA CC1(C)CC[C@H](NC(=O)[C@H]2CN3CCN2CC3)[C@@H](CNc2ncnn3cccc23)C1 1875328094 YCNNKELRFGKEEM-ZIFCJYIRSA-N 411.554 1.452 0 50 HDAA CCN(C[C@H]1CCCN(CCc2cccc(OC)c2)C1)C(=O)CCn1cnnn1 12709880 GTWZSGLUITYHEI-IBGZPJMESA-N 400.527 1.875 0 50 HDAA CC[C@H]1C(=O)NCCN1C(=O)c1ccc(OC)c(OC2CCN(C(C)=O)CC2)c1 15065604 CWIZYGZTXYYKNH-KRWDZBQOSA-N 403.479 1.436 0 50 HDAA O=C(c1cccs1)[C@H]1CCCN(C(=O)CCn2nnnc2CN2CCOCC2)C1 15066398 WRBYYMYTKFUCJA-HNNXBMFYSA-N 418.523 1.078 0 50 HDAA CS(=O)(=O)Nc1ccc(S(=O)(=O)N2CCN(c3ccccc3F)CC2)cc1 16578288 ZVMMVFDDGDEROK-UHFFFAOYSA-N 413.496 1.708 0 50 HDAA O=C(NCc1ccccn1)c1cc2n(n1)CCN(C(=O)c1cccc3c1OCC3)C2 65398960 NGNBKZBJETYZIA-UHFFFAOYSA-N 403.442 1.799 0 50 HDAA Cc1cc2c(N3CCC[C@@H](n4ncc(N5CC[C@H](O)C5)cc4=O)C3)ncnc2s1 328606395 RJAPTOQYLAUKIX-ZBFHGGJFSA-N 412.519 1.969 0 50 HDAA CSCc1noc(CN2C[C@@H]3CN(Cc4ccncc4Cl)C[C@@]3(CO)C2)n1 1772804368 NLQYLKGVDZVDGM-KSSFIOAISA-N 409.943 1.907 0 50 HDAA Cc1nc(C)c(CNC(=O)[C@@]23CCCN(C)[C@H]2CN(S(C)(=O)=O)CC3)s1 1857685745 ROSMXNMSWIURND-DOTOQJQBSA-N 400.570 1.122 0 50 HDAA Cc1nc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)c2c(C)noc2C)CCO3)cs1 1857686643 APQOPXMGARMMBV-LJQANCHMSA-N 404.492 1.743 0 50 HDAA O=C1CCCN(C(=O)c2ccncc2)CCCNC(=O)c2ncccc2OCCN1 1857711051 YPYKJMAEFVBAPG-UHFFFAOYSA-N 411.462 1.028 0 50 HDAA Cc1ccc(-n2cccn2)cc1S(=O)(=O)N1CCN2[C@@H](C3CC3)COC[C@H]2C1 1857734069 CJIGNNKZDOWARF-RTBURBONSA-N 402.520 1.664 0 50 HDAA CCN1CCO[C@@H](CNC(=O)N2CCN([C@@H](CO)c3cccc(Cl)c3)CC2)C1 1875261833 FTHUOFTVWQEOTE-OALUTQOASA-N 410.946 1.421 0 50 HDAA O=C(CCS(=O)(=O)c1ccccc1)N[C@H]1CCC[C@@H](CN2CCC(O)CC2)C1 2100545553 WHQCPOXXTLRNDV-MSOLQXFVSA-N 408.564 1.982 0 50 HDAA COc1cccc(CN(C)CCn2ccnc2C)c1OC[C@@H](O)CN1CCOCC1 20205082 HXGUCSMZFIEMRG-FQEVSTJZSA-N 418.538 1.404 0 50 HDAA COCc1ccc(CN2CCc3nnc(CNC(=O)[C@H]4CCCN(C)C4)n3CC2)o1 20233728 NYQBCLYPQAMZIZ-INIZCTEOSA-N 416.526 1.034 0 50 HDAA CC1(C(=O)N2CCC[C@H](Cn3cc(CN4CCNC(=O)C4)nn3)C2)CCCCC1 23232107 PKZRFKJLPFKMSW-KRWDZBQOSA-N 402.543 1.419 0 50 HDAA CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCc3nc[nH]c(=O)c3C2)c1 170685896 ZBRBXMGHIBTSSR-UHFFFAOYSA-N 424.910 1.651 0 50 HDAA COCc1nnc(NC(=O)CC[C@H]2N=C(O)N(Cc3cccc(F)c3)C2=O)s1 252537691 MAVKRPFCYLMKRX-GFCCVEGCSA-N 407.427 1.867 0 50 HDAA CN(C)C(=O)c1c[nH]nc1[C@@H]1CCCN(C(=O)Nc2nnc(C(F)(F)F)s2)C1 328605038 MBCOHQHHWICOCZ-MRVPVSSYSA-N 417.417 2.393 0 50 HDAA COc1ccccc1CNC(=O)CN1C[C@H]2CN(Cc3nccs3)C[C@]2(CO)C1 1772809480 BWFJLALMBGMEMU-UWJYYQICSA-N 416.547 1.194 0 50 HDAA N=c1[nH]c(CCCNC(=O)[C@@]23CC[C@@H](N4CCOCC4)C[C@H]2CCNC3)cs1 1857684068 XZLGAXIEELHLPS-WRWLIDTKSA-N 407.584 1.085 0 50 HDAA C[C@@H](C(=O)O)n1cc(CSCCNC(=O)c2cc(Br)ccn2)nn1 1875355323 HAVFUGRUZICGBO-VIFPVBQESA-N 414.285 1.744 0 50 HDAA COc1ccc([C@@H]2[C@@H](C(=O)NCCN3CCCCC3=O)OCC(=O)N2C2CC2)cc1 1940198236 WXVJWRPCWKSNEX-RTWAWAEBSA-N 415.490 1.255 0 50 HDAA CCCO[C@@H]1C[C@@H](C(=O)NCc2nccn2CC)CC[C@H]1NC(=O)c1cnn[nH]1 2100536885 DBKPFGBSSWSAQT-SQWLQELKSA-N 403.487 1.031 0 50 HDAA CC[C@H](CNC(=O)c1cc2c(nn1)CCCC2)NC(=O)[C@@H]1CC[C@@H]1c1nncn1C 2325872891 QRXXDPBMYZDWEP-OWCLPIDISA-N 411.510 1.302 0 50 HDAA COc1cc(=O)n2c(c1C(=O)NCCC(C)C)CCN(C(=O)c1nonc1C)CC2 11979948 KXGCQASJTWRWCD-UHFFFAOYSA-N 417.466 1.023 0 50 HDAA Cn1nc(C(=O)NCCN2CCOCC2)c2c1CC[C@H](NCc1ccccc1F)C2 14751559 SOLLFEDBVSAOCI-KRWDZBQOSA-N 415.513 1.268 0 50 HDAA O=C1CO[C@H](COc2ccc(F)cc2)CN1C1CCN(CCn2cnnc2)CC1 299764410 VTAHPZYSHLRCCS-IBGZPJMESA-N 403.458 1.188 0 50 HDAA CC(C)c1nsc(N2CCC[C@H](n3ncc(N4CCN(C)CC4)cc3=O)C2)n1 328606554 RYZHOWOWGHNLCR-HNNXBMFYSA-N 403.556 1.812 0 50 HDAA O=C(Nc1ccc(OCC(=O)N2CCOCC2)cc1)c1ccc(-n2cnnn2)cc1 827968295 OORZHMBREDWULH-UHFFFAOYSA-N 408.418 1.152 0 50 HDAA CN(CC(=O)N1CCC(c2nc3ccc(F)cc3[nH]2)CC1)[C@H]1CCS(=O)(=O)C1 1506418917 UYGYRGVRIZGNOX-HNNXBMFYSA-N 408.499 1.527 0 50 HDAA COc1ccc([C@@H]2[C@@H](CO)OCCN2Cc2cccc(OCC(N)=O)c2)cc1OC 1529133993 KLJYDSJZUCPGLI-IFMALSPDSA-N 416.474 1.502 0 50 HDAA O=C(c1ccc(-n2cnnn2)cc1)N1CCCN(Cc2cnn3cccnc23)CC1 1772804188 IUCYLZMKWJLEEH-UHFFFAOYSA-N 403.450 1.053 0 50 HDAA Cc1nonc1C(=O)N1C[C@@H]2CN(Cc3ccccc3F)C[C@@]2(CCC(=O)O)C1 1772809606 AXVMETLEXRJFOU-YWZLYKJASA-N 402.426 1.956 0 50 HDAA COc1cnc(N2CCC(N3C[C@@H](COc4ccc(F)cc4)OCC3=O)CC2)nc1 1857684523 RIPKCZQBEGKUPZ-IBGZPJMESA-N 416.453 1.900 0 50 HDAA Cc1nc(C)c(CN2CCOC3(CCN(c4nccc(=N)[nH]4)CC3)CC2=O)s1 1857689571 SNIAITWTCGAUPD-UHFFFAOYSA-N 402.524 1.751 0 50 HDAA CN(Cc1nc(O)c2sccc2n1)C[C@@]1(O)CCCN(C(=O)c2ccc[nH]2)C1 1857721089 YQHZNVUXAJXIAX-IBGZPJMESA-N 401.492 1.824 0 50 HDAA Cn1cc(C(=O)NCc2cccc(-n3cc(-c4ccc(C(=O)O)cn4)nn3)c2)cn1 1875327376 WWRWDMCQANZBIK-UHFFFAOYSA-N 403.402 1.691 0 50 HDAA O=C(O)c1cn(CCCCNS(=O)(=O)c2cc(Br)ccc2F)nn1 2325870963 WVHDUQOPHYVGBD-UHFFFAOYSA-N 421.248 1.637 0 50 HDAA CSCC[C@@H](NC(=O)c1ccccc1)C(=O)OCC(=O)Nc1nnc(C)s1 5059074 CVGZYFIYVYSFAQ-CYBMUJFWSA-N 408.505 1.880 0 50 HDAA COCCCn1c(CN2CCC([C@H](O)CC(C)C)CC2)cnc1S(C)(=O)=O 12317005 CEJLUKSIQDXSLK-GOSISDBHSA-N 401.573 1.942 0 50 HDAA O[C@H](COc1cccc(CN2CCC(N3CCCC3)CC2)c1)CN1CCOCC1 12429722 PLPAPQVUKPQRCG-QFIPXVFZSA-N 403.567 1.819 0 50 HDAA O=C(Nc1ccc(F)cc1)N[C@H]1C[C@H]2C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N2C1 14744276 HYNMSHHAXYUXLI-SZMVWBNQSA-N 412.421 1.363 0 50 HDAA COC(=O)CC[C@H]1CN(Cc2ccc(C(=O)OC)cc2)CC[C@H]1N1CCOCC1 14998860 XHHHXVUXAAZOAU-VQTJNVASSA-N 404.507 1.949 0 50 HDAA COc1ccc(N2C[C@H](C(=O)N3CCN(C(=O)c4ccncc4)CC3)CC2=O)cc1 20718768 LBBYWPATRGDCNX-QGZVFWFLSA-N 408.458 1.428 0 50 HDAA CCOC(=O)c1n[nH]cc1CN1CCN(C2CCN(C(C)C)CC2)[C@@H](CCO)C1 20869246 GKWDTYHCMUOXQB-IBGZPJMESA-N 407.559 1.328 0 50 HDAA CN(C)[C@H]1CCN(CCN2CC3(CCN(C(=O)c4cccc(O)c4)CC3)OC2=O)C1 72470132 DZFJBJWLMNBPDV-SFHVURJKSA-N 416.522 1.455 0 50 HDAA CCNc1ncc(C(=O)N2CCC3(CCC(=O)N(C[C@@H]4CCCO4)C3)CC2)cn1 91830905 UYXGESKHQWHXOB-KRWDZBQOSA-N 401.511 1.932 0 50 HDAA CC(C)(O)CS(=O)(=O)Nc1ccc2c(c1)CCN(C(=O)COc1cccnc1)C2 253387927 QHHSCLARESIWBH-UHFFFAOYSA-N 419.503 1.558 0 50 HDAA Cc1cccc(CNC(=O)Cn2nnnc2[C@@H](c2ccccc2)N2CCOCC2)n1 426661910 BIIJADAQPXQATC-HXUWFJFHSA-N 407.478 1.115 0 50 HDAA Cc1ccc(S(=O)(=O)NC2CN(C(=O)c3cc4ccccc4c(=O)n3C)C2)cc1 461270857 RATFFZSWAWODQG-UHFFFAOYSA-N 411.483 1.650 0 50 HDAA CC[C@H]1CN(C(=O)CCc2c(C)nn(-c3ccc(S(N)(=O)=O)cc3)c2C)C[C@H]1O 468023353 AEVBCZXGAWVSIM-HNAYVOBHSA-N 420.535 1.298 0 50 HDAA CC(=O)NCCN([C@H](C)C(=O)O)S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl 485310599 VADSSDJZCOZAFF-MRVPVSSYSA-N 416.805 1.959 0 50 HDAA O=C(NCc1cccn2nccc12)[C@@H]1[C@@H]2C(=O)N(Cc3ccccn3)C[C@]23C=C[C@H]1O3 1772813541 GLRCIHKKZVXSGE-VLVHOKLOSA-N 415.453 1.328 0 50 HDAA O=C(c1cncnc1O)N1CCC[C@@]2(CCc3c(O)nc(-c4cccnc4)nc32)C1 1857667272 TYCHNUYFMXQBHF-OAQYLSRUSA-N 404.430 1.860 0 50 HDAA CC(C)C[C@@H]1[C@H](C(=O)N2CCCCC2)C[C@@H]2CN(c3cc(N)ncn3)CC(=O)N21 1857693982 VXURYYOCXIYMRS-BRWVUGGUSA-N 400.527 1.523 0 50 HDAA COc1ccc(S(=O)(=O)N(C)CC2(F)CCCC2)cc1[C@@]1(C)NC(=O)NC1=O 1875348173 ZIUZSYWOIXTHOZ-QGZVFWFLSA-N 413.471 1.653 0 50 HDAA Cc1cc(N2CC[C@H](NC(=O)N(C)[C@H]3CCN(Cc4ccccc4)C3=O)C2)n(C)n1 2325828954 WSAPLYWVOLTSJQ-OALUTQOASA-N 410.522 1.750 0 50 HDAA CCOC(=O)CSc1nc2c(c(=O)n(C)c(=O)n2C)n1CCCc1ccccc1 637602 VFJJIAJPCNZEDB-UHFFFAOYSA-N 416.503 1.722 0 50 HDAA CCn1c(CNC(=O)c2cccc(OC)c2)nnc1SCC(=O)N1CCOCC1 9426771 WELGYFAXJWLKLA-UHFFFAOYSA-N 419.507 1.188 0 50 HDAA O=C1NCCN(C2Cc3ccccc3C2)[C@@H]1CC(=O)N(CCO)Cc1ccccc1 11843866 JQBYULCBWKPQLP-JOCHJYFZSA-N 407.514 1.365 0 50 HDAA CN(CC(=O)NCC1=CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)c1cccnc1 170601175 JZGLQBNZYPXOAA-UHFFFAOYSA-N 424.523 1.386 0 50 HDAA CC(C)(C)OC(=O)NCCOCCOCCOCCNC(=O)c1ccc(C=O)cc1 220112143 AHMIDXZZBNCXCP-UHFFFAOYSA-N 424.494 1.803 0 50 HDAA CN1CCN2c3ccccc3C[C@]3(C(=O)NC(=O)N(Cc4ccccc4)C3=O)[C@H]2C1 245326922 NEMLDXOKRDIZGR-AUSIDOKSSA-N 404.470 1.628 0 50 HDAA CC(=O)N[C@@H]1[C@H](Oc2ccc(C(C)=O)cc2)O[C@@H]2CO[C@H](c3ccco3)O[C@H]2[C@@H]1O 253498566 NLFBZPXTFIBIDP-WCAYHLDQSA-N 417.414 1.566 0 50 HDAA NCc1ccc(C(=O)NC[C@@H]2CN(CC3CCN(CC4CC4)CC3)C(=O)CO2)cc1 299779235 KGNJVYXZZGHAMS-OAQYLSRUSA-N 414.550 1.225 0 50 HDAA COc1cc(NCCNS(=O)(=O)c2cccc(C(=O)N(C)C)c2)cc(OC)c1 443777423 WSYUYAGRYSSPHK-UHFFFAOYSA-N 407.492 1.796 0 50 HDAA O=C(CN1CCOc2ccccc2C1)N1CC[C@@H](c2ccc3c(c2)OCO3)[C@H](O)C1 952976709 UHAFSDRSYNXRNR-RBUKOAKNSA-N 410.470 1.987 0 50 HDAA O=C(C[C@@H]1CCNC1=O)NC1CCC(NC(=O)c2snc3ccccc23)CC1 1875362122 RWZRCIPWKMZIRQ-HSBZDZAISA-N 400.504 1.980 0 50 HDAA CCN1C[C@H](C(=O)N2CCCCC[C@@H](NC(=O)c3cccc(CO)c3)C2)CCC1=O 2325864740 YOQMORJVRKSUGV-WOJBJXKFSA-N 415.534 1.938 0 50 HDAA CCSc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@H](O)COc1ccc(Cl)cc1 828780 RIJMOAJYWSURSK-NSHDSACASA-N 410.883 1.629 0 50 HDAA CN(C)S(=O)(=O)Nc1ccc(N2CCC(NCCOc3cccnc3)CC2)cc1 11910377 IUIHYNXEVLLHBE-UHFFFAOYSA-N 419.551 1.937 0 50 HDAA CN(C(=O)c1cccc(OC2CCN(S(=O)(=O)N(C)C)CC2)c1)[C@H]1CCOC1 12073728 BAADOCZWVJUVOK-INIZCTEOSA-N 411.524 1.197 0 50 HDAA COCCN1C(=O)N(CC(=O)OC)C(=O)C12CCN(C/C(C)=C/c1ccco1)CC2 14540892 BOETYXGDULBZMW-DTQAZKPQSA-N 419.478 1.601 0 50 HDAA O=C(NCCN1CCN(C(=O)c2ccccc2Cl)CC1)C(=O)Nc1ccccc1 19805819 UAPQXJBUYTVZJD-UHFFFAOYSA-N 414.893 1.853 0 50 HDAA COCC1CCN(Cc2ccc(OC)cc2OC[C@H](O)CN2CCN(C)CC2)CC1 20537164 ALZMQQHPVFEAIT-OAQYLSRUSA-N 421.582 1.541 0 50 HDAA O=C(C[C@H]1NC(=O)c2ccccc2NC1=O)NC1CCN(Cc2ccccc2)CC1 36593856 HAILDVPYZTWKRM-HXUWFJFHSA-N 406.486 1.908 0 50 HDAA CCCN1C[C@@H](C(=O)NCCNS(=O)(=O)c2ccc(Cl)cc2)CCC1=O 55154719 AHJQIUHDSLIOGJ-ZDUSSCGKSA-N 401.916 1.383 0 50 HDAA COc1ccc(O[C@@H]2O[C@@H]3CO[C@H](c4ccccc4)O[C@@H]3[C@@H](O)[C@@H]2NC(C)=O)cc1 230035015 SDSYBZDALLFMBU-VEYVBMQYSA-N 415.442 1.779 0 50 HDAA CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1 253395359 XUQNFEOUOLJDDW-AAEUAGOBSA-N 423.944 1.159 0 50 HDAA CN(C[C@@H]1CCCN2CCCC[C@H]12)C(=O)C[C@@H]1NC(=O)N(Cc2ccco2)C1=O 263585165 FUCAKXSWTSBMKR-RYQLBKOJSA-N 402.495 1.813 0 50 HDAA biogenic O=C(Cc1cccnc1)NC[C@H]1CN(CC2CCN(CC3CC3)CC2)C(=O)CO1 299799745 ZVRYWGFUKMARHS-FQEVSTJZSA-N 400.523 1.090 0 50 HDAA Cc1[nH]nc(C(F)(F)F)c1C(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 679418561 VHJXVHFOYZOBMN-NSHDSACASA-N 410.418 1.004 0 50 HDAA CCOC(=O)[C@@]12CC[C@H](N3CCOCC3)C[C@H]1CCN(C(=O)c1cnn(C)c1C)C2 1857694030 XJKBHVMMLLBYHK-KGVIQGDOSA-N 418.538 1.625 0 50 HDAA O=C(NS(=O)(=O)c1ccc2c(c1)C(=O)NC2=O)c1ccc(Cc2ccccc2)cn1 1875343901 XWOZLSUPGNZKFG-UHFFFAOYSA-N 421.434 1.675 0 50 HDAA O=C(O)c1cc2c(c(S(=O)(=O)N[C@H](CCc3ccccn3)C(=O)O)c1)CCC2 1875350862 CQWMMOWHIQXAGZ-MRXNPFEDSA-N 404.444 1.633 0 50 HDAA O=C1CC(C(=O)N2CC3(CCC3)C[C@@H]2CNC(=O)c2cncc3[nH]ccc23)CC(=O)N1 1875360959 NYPBUCNSHIYOMK-CQSZACIVSA-N 423.473 1.117 0 50 HDAA Cc1cncc(C(=O)NC[C@H]2CC3(CCOCC3)CN2C(=O)c2cnn3c2CCC3)c1 1875361483 SZAXHNFNMBDBJU-GOSISDBHSA-N 423.517 1.974 0 50 HDAA O=C1C[C@@H]2CCCCN2CCCCN(C(=O)CCn2ccccc2=O)CCCN1 2100533092 ZXMCCKWAZSUAKP-IBGZPJMESA-N 402.539 1.612 0 50 HDAA O=C(NCc1ccc2c(c1)OCO2)c1cccc(S(=O)(=O)N2CCOCC2)c1 1122924 MEIGMUYCVBAELW-UHFFFAOYSA-N 404.444 1.366 0 50 HDAA COc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@H]3CCCO3)CC2)cc1OC 1157467 DDAWUHFUQDDYER-OAHLLOKOSA-N 412.508 1.400 0 50 HDAA COc1cccc(CNCCc2ccccn2)c1OC[C@@H](O)CN1CCOCC1 12304380 UHUDGODFPIZSCX-FQEVSTJZSA-N 401.507 1.494 0 50 HDAA CS(=O)(=O)c1ncc(CN2CCN(c3ccccn3)CC2)n1C[C@H]1CCCO1 12445833 SEEPMVIFKCDXQP-QGZVFWFLSA-N 405.524 1.183 0 50 HDAA Cc1nn(-c2ccc(F)cc2)c(C)c1CNC(=O)Cn1nnnc1CN1CCCC1 12705523 UEAKMDVXWDEOQV-UHFFFAOYSA-N 412.473 1.527 0 50 HDAA COc1ccccc1N1CCN(C(=O)CCCn2c(=O)[nH]c3ccccc3c2=O)CC1 13552557 BFDZFCNAUNXQBB-UHFFFAOYSA-N 422.485 1.827 0 50 HDAA CC(C)[C@H]1NC(=O)[C@H]2CN(S(=O)(=O)c3cccc4ccccc34)CCN2C1=O 14754012 FIXWQJCAOBKSTM-SJLPKXTDSA-N 401.488 1.196 0 50 HDAA O=C(c1cn(CCN2CCOCC2)nn1)N1CCN(C/C=C/c2ccccc2)CC1 20998637 WZAWOAYECMSGFQ-QPJJXVBHSA-N 410.522 1.082 0 50 HDAA CCOC(=O)c1cc(C)sc1NC(=O)CN1CCN(C(=O)[C@H]2CCCO2)CC1 35802721 UMIYDHMQSOYYBZ-OAHLLOKOSA-N 409.508 1.495 0 50 HDAA O=C(C[C@H]1C(=O)NCCN1Cc1ccc(F)cc1Cl)NCCc1cccnc1 55242577 PABOCULAUZSBQR-SFHVURJKSA-N 404.873 1.924 0 50 HDAA COc1cccc(C(=O)N2CCN(c3cc(-n4ccnc4)nc(C)n3)CC2)c1OC 67603538 OGHYSPNECUPWKJ-UHFFFAOYSA-N 408.462 1.950 0 50 HDAA Cc1ncn(-c2cc(NCCNS(=O)(=O)c3cc(F)ccc3F)ncn2)c1C 91402426 HFRBFOPUQHTMLY-UHFFFAOYSA-N 408.434 1.948 0 50 HDAA Cc1ccc(C)n1CCN1CCN(C(=O)C[C@@H]2N=C(O)N(c3ccccc3)C2=O)CC1 252489730 JYQCHCILGLNSPE-FQEVSTJZSA-N 423.517 1.969 0 50 HDAA Cc1nc(O)nc(C)c1CCC(=O)N1CCC(CNC(=O)c2cncn2C)CC1 952873427 WVPQVIUVQJVHIQ-UHFFFAOYSA-N 400.483 1.134 0 50 HDAA Cc1cc(C(=O)NC2CCN(c3nccn(C)c3=O)CC2)nn1-c1ccccc1F 1875311355 WHYWAKDLBWIYLS-UHFFFAOYSA-N 410.453 1.812 0 50 HDAA CC(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@H](Cc1ccccc1)C(=O)NCc1ccccc1 1875334682 YYKBSOYDKOJMGX-NJYVYQBISA-N 409.486 1.012 0 50 HDAA CCn1c(O)nc2cc(C(=O)N[C@@H]3CCN(C(=O)c4ccc(F)cc4)C3)ccc2c1=O 2325864049 FNGQVAXSKQVGLG-MRXNPFEDSA-N 424.432 1.906 0 50 HDAA COc1cc(O)cc(C(=O)N[C@@H]2CC[C@H](C(=O)NCc3ncc[nH]3)C[C@H]2OC)c1 2356150238 SLNJKOMVOAJWHM-JCURWCKSSA-N 402.451 1.354 0 50 HDAA COc1ccc(C(=O)NC[C@@]23C=C[C@@H](O2)[C@H]2C(=O)N(Cc4ccccc4)C(=O)[C@H]23)cc1 754784 FIWVFKGPAZUXEL-MTXNFPGFSA-N 418.449 1.934 0 50 HDAA CCOC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)OCC)[C@@H]1c1ccc(NC(C)=O)cc1 4476990 SWCVXGVAEYQOLS-IKVWTGGYSA-N 405.447 1.811 0 50 HDAA COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)[C@H](C)O 4764000 FOULQMVLUUSLJT-SNRMKQJTSA-N 414.458 1.563 0 50 HDAA CC(=O)OC[C@@H]1O[C@H](c2ccccc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 5833831 RSVDHRRPXRATQV-MDMHHNQBSA-N 408.403 1.485 0 50 HDAA COc1cc(CN2CCNC(=O)C2)ccc1OC[C@@H](O)CN1CCCCCCC1 12713667 CEEWBRFSBYLEHJ-IBGZPJMESA-N 405.539 1.633 0 50 HDAA O=S(=O)(c1ccc(F)cc1F)N1CCN(c2ccc(-n3cccn3)nn2)CC1 13009280 AQBBDIONLJYKOP-UHFFFAOYSA-N 406.418 1.451 0 50 HDAA O=C(NCCN1CCOCC1)[C@H]1CC(=O)N(CCc2c[nH]c3ccc(F)cc23)C1 13944834 OJQCHRWKKLRADL-INIZCTEOSA-N 402.470 1.146 0 50 HDAA CS(=O)(=O)N1CCC[C@@H](C(=O)N2CCN(Cc3c(F)cccc3Cl)CC2)C1 20028720 VOEBPSHLXXWQFL-CQSZACIVSA-N 417.934 1.795 0 50 HDAA CN(CCc1cn[nH]c1)C(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(Cc4ccc(F)cc4)C(=O)[C@@H]13)O2 77377569 GPOZEMRDJDNFBE-JYLXEMOASA-N 410.449 1.532 0 50 HDAA O=C1C[C@@H](C(=O)NC2CCN(C(=O)N3CCOCC3)CC2)c2cc(F)ccc2N1 91829385 RUUVPYZWHUFJKS-MRXNPFEDSA-N 404.442 1.284 0 50 HDAA COc1ccc(S(N)(=O)=O)cc1C(=O)O[C@H](C)C(=O)N[C@@H](C)[C@H]1C[C@H]2CC[C@H]1C2 248128035 IUNLEJOSVUNTOL-HCZIRCDUSA-N 424.519 1.829 0 50 HDAA COc1ccccc1CCC(=O)Nc1cnn(CC(=O)NCCN2CCOC2=O)c1 299777542 NTYGSHWTJHJDMZ-UHFFFAOYSA-N 415.450 1.031 0 50 HDAA Cc1cc(N2CCN(C(=O)CCS(C)(=O)=O)CC2)nc(-c2ccccc2O)n1 952872780 SXKNWEWJUQLZDQ-UHFFFAOYSA-N 404.492 1.241 0 50 HDAA O=S(=O)(c1ccccc1)N1CCC(Nc2nccc(N3CCC[C@H](O)C3)n2)CC1 1704297830 XRDQMVIDSQCUMY-KRWDZBQOSA-N 417.535 1.703 0 50 HDAA O=C(c1ccncc1)N1C[C@@H]2CN(C(=O)c3nc4c(s3)CCCC4)C[C@@]2(CO)C1 1772704638 DENMIVHMOVGEPO-QVKFZJNVSA-N 412.515 1.624 0 50 HDAA O=C(O)CC[C@]12CN(C(=O)CCc3cnccn3)C[C@H]1CN(c1nccs1)C2 1772811662 WYFVMUZELGBVIS-IFXJQAMLSA-N 401.492 1.696 0 50 HDAA CC(C)[C@@H](CNC(=O)C[C@H]1CCC(=O)NC1)NC(=O)CNc1cccc(Cl)c1 1875345305 VSRSUBPTQWZFEG-RHSMWYFYSA-N 408.930 1.925 0 50 HDAA C[C@]1(C(=O)O)CN(C(=O)c2ccc(-c3cn(CC4(O)CCC4)nn3)cc2F)CCO1 1875354508 YISYMRDDPYUIFP-LJQANCHMSA-N 418.425 1.315 0 50 HDAA O=C1CC[C@@H](N2Cc3ccc(CNC(=O)c4cc[nH]c4C4CC4)cc3C2=O)C(=O)N1 2325896167 SFMGVQUAHDAFDJ-QGZVFWFLSA-N 406.442 1.583 0 50 HDAA O=C(CCN1CCCCO1)N1CCC[C@@H](CNS(=O)(=O)c2cccs2)C1 12431009 HKPBEYQDDPGLOG-HNNXBMFYSA-N 401.554 1.683 0 50 HDAA O=C1[C@@H]2CSCN2C(=O)[C@H]2CN(Cc3nc(-c4ccccc4)cs3)CCN12 14533624 UNCAIPQQWZSIPL-CVEARBPZSA-N 400.529 1.738 0 50 HDAA C[C@H](C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1)N1C(=O)c2ccccc2C1=O 19973668 YHDONQYBHDKFTG-OAHLLOKOSA-N 421.453 1.744 0 50 HDAA Cc1ncncc1C(=O)N1CCc2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2C1 77457681 BKZGQBMSVRWSID-QGZVFWFLSA-N 416.503 1.441 0 50 HDAA CCc1nc(-c2c3n(c(=O)n(Cc4cccc(C(=O)OC)c4)c2=O)CCCC3)no1 169764033 AMDVFUJXKFROKH-UHFFFAOYSA-N 410.430 1.794 0 50 HDAA CC[C@@H](CO)N1CCN(S(=O)(=O)c2cccc(C(=O)Nc3ccccn3)c2)CC1 408525214 POZZESRUMLFENW-KRWDZBQOSA-N 418.519 1.411 0 50 HDAA CC(C)C[C@H](CO)NC(=O)C[C@@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O 1772492640 PLHWNPJRZZHBOW-QAPCUYQASA-N 400.479 1.544 0 50 HDAA Cc1ccc(OCc2ccc(C(=O)N(C)C[C@H](O)CN3CCN(C)CC3)o2)cc1 1875254832 HYCOPPJFHDDDGK-SFHVURJKSA-N 401.507 1.847 0 50 HDAA CC(C)Oc1ccc(C(=O)NC[C@@]2(c3nccn3C)NC(=O)NC2=O)c(Cl)c1 1875273642 WXOGUUHSRKYBRY-SFHVURJKSA-N 405.842 1.325 0 50 HDAA CC(C)(C)C(=O)CCc1cn(-c2ccc3c(c2)C(=O)N([C@@H]2CCC(=O)NC2=O)C3)nn1 1875355543 MOWJEHFMCDCPNS-QGZVFWFLSA-N 423.473 1.576 0 50 HDAA CCN(C[C@H](O)c1ccc(C)cc1)C(=O)[C@@H]1CC[C@H](Cn2cnc3c(N)ncnc32)O1 1875361373 XYXDIIFFEOAQNX-SQNIBIBYSA-N 424.505 1.847 0 50 HDAA 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CCN(CCn1cccn1)C(=O)C[C@H]1C(=O)NCCN1Cc1ccc(F)cc1Cl 55119283 AGHHMEVUQOERCM-SFHVURJKSA-N 421.904 1.915 0 50 HDAA O=C(N[C@H]1CCNC1=O)C1CCN(C2CCN(CCCc3ccccc3)CC2)CC1 82167066 AWQRSAZZSUJWBG-QFIPXVFZSA-N 412.578 1.800 0 50 HDAA COc1cccc(C)c1C(=O)N1CC[C@H](N2CCN(C)CC2)[C@H](CCC(=O)O)C1 95375797 NQQLBLHTBXXSQM-MSOLQXFVSA-N 403.523 1.947 0 50 HDAA CCOc1ccc(N2C(=O)C[C@H](N3CCN(CCc4ccccn4)CC3)C2=O)cc1 100205883 VRXCGJXVMWUMNI-NRFANRHFSA-N 408.502 1.973 0 50 HDAA CC(C)CNC(=O)c1ccc(CN2C(=O)NC3(CCS(=O)(=O)CC3)C2=O)cc1 169772497 XZSFSPBAKYXNFJ-UHFFFAOYSA-N 407.492 1.072 0 50 HDAA Cc1noc(C)c1C[C@H](C)C(=O)N(CC(F)F)C1CCN(S(C)(=O)=O)CC1 225761350 LCLNPTZQZMWCQR-NSHDSACASA-N 407.483 1.988 0 50 HDAA Br[C@@]12[C@H]3[C@H]4[C@H]1[C@H]1[C@H]([C@H]3C3(OCCO3)[C@]41Br)C21OCCO1 252428104 PZFGXDAAPJFEHR-MACVEKMSSA-N 406.070 1.505 0 50 HDAA OC[C@H](O)[C@H](O)[C@H](O)[C@@H](O)C(SCc1ccccc1)SCc1ccccc1 256012381 XYJQPBTZELOVDP-CADBVGFASA-N 410.557 1.615 0 50 HDAA Cn1c(=O)n(C)c2nc(NC(=O)CCC(=O)N3CCC[C@@H]3Cc3ccccc3)ccc21 427915635 POZYPGFFWJLLBE-QGZVFWFLSA-N 421.501 2.224 0 50 HDAA C[C@@H]1CN(CC(=O)Nc2nc3ccccc3s2)CCN1c1nccn2cnnc12 441026804 HPNDGPYGAAIDQD-CYBMUJFWSA-N 408.491 1.883 0 50 HDAA COCCn1cnnc1[C@@H](C)NS(=O)(=O)c1ccc2c(c1)NC(=O)CCS2 670438652 YBRFDWLCDQUZMK-LLVKDONJSA-N 411.509 1.398 0 50 HDAA O=C(c1ccccc1-c1nc(-c2ccccc2)no1)N1CCN[C@H]2CS(=O)(=O)C[C@H]21 952985807 DOXZOJRUYLIABC-ZWKOTPCHSA-N 424.482 1.615 0 50 HDAA COc1ccc(Cl)cc1S(=O)(=O)N1CCCN(C(=O)[C@H]2CCOC2)CC1 1775979152 ZQVWNXOPHCXICS-ZDUSSCGKSA-N 402.900 1.608 0 50 HDAA Cc1c(O)cccc1C(=O)NC[C@@H]1CN(CC2CCN(CC3CC3)CC2)C(=O)CO1 1857677651 LGTUFYQJPBMDAK-LJQANCHMSA-N 415.534 1.780 0 50 HDAA COc1ccc(N2CCN(S(=O)(=O)c3ccc4c(c3)CCC(=O)N4)CC2)cn1 1857679617 ZENLUVZAGOISDC-UHFFFAOYSA-N 402.476 1.486 0 50 HDAA O=S(=O)(NCc1ccccc1)N1CCN(S(=O)(=O)c2ccsc2)CC1 1875331219 VPFKSSXOSUKVKE-UHFFFAOYSA-N 401.535 1.089 0 50 HDAA CN(C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(-n2cncn2)c(F)c1 2325701888 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411.505 1.792 0 50 HDAA CCc1ccc(N2C[C@H](C(=O)N3CCCC[C@@H]3CCNS(C)(=O)=O)CC2=O)cc1 918639970 LCZMWASPGLXOKC-QZTJIDSGSA-N 421.563 1.922 0 50 HDAA CC[C@H](C)N(C)C(=O)C1CC2(C1)C[C@H](NC(=O)c1cc(C)on1)CCS2(=O)=O 952876326 MOMZPVOUOJZAOK-CIOOFUQASA-N 411.524 1.696 0 50 HDAA CNC(=O)c1ccc(S(=O)(=O)N2CCN(Cc3ccc(F)c(F)c3)CC2)cc1 1506420874 BKJABMDBSAZCRT-UHFFFAOYSA-N 409.458 1.831 0 50 HDAA O=C(CCc1cc(O)no1)N1[C@H]2CC[C@@H]1C[C@]1(C2)CN(Cc2cnc[nH]2)CCO1 1857672566 FSFRNEUIDVCXOG-IGOJGBNBSA-N 401.467 1.461 0 50 HDAA C[C@@H](C(=O)N1CCc2nc(C(N)=O)cn2CC1)N1C(=O)c2cccc3cccc1c23 1875243717 UKVUTSDSBFCSNC-ZDUSSCGKSA-N 403.442 1.569 0 50 HDAA C[C@@H]1CN(c2ccc(C(=O)Nc3ccc(NS(N)(=O)=O)cc3)cn2)C[C@@H](C)O1 1875359905 SPFKOUTYZFLDHD-CHWSQXEVSA-N 405.480 1.563 0 50 HDAA COc1cc(CN(C)Cc2nnc(C)n2C)cc(CN(C)Cc2nnc(C)n2C)c1 2325746754 BHKCVKPXVPSFPT-UHFFFAOYSA-N 412.542 1.833 0 50 HDAA CCN1C[C@@H](C(=O)N2CCCC[C@H](NC(=O)c3ccc(N)cc3F)C2)CCC1=O 2325864762 ZFEYCSMGIHNHFB-HOCLYGCPSA-N 404.486 1.777 0 50 HDAA 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91893206 LCCJGYCJJAXCGU-KRWDZBQOSA-N 401.507 1.718 0 50 HDAA O=C(O)[C@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 101455481 QKPRYFGJUWCWLW-CLROSIBMSA-N 410.467 1.406 0 50 HDAA COC(=O)C[C@H](c1ccc2c(c1)n(C)c(=O)n2C)c1c(O)n2ccccc2nc1=O 205976675 WZGJBFGHLVAUHG-CYBMUJFWSA-N 408.414 1.286 0 50 HDAA Cc1cc(CN(C)c2nc3c(c(N(C)Cc4cc(C)on4)n2)S(=O)(=O)CC3)no1 225817271 XBJFZEIIEJFRMI-UHFFFAOYSA-N 418.479 1.672 0 50 HDAA CN1CCN(C(=O)CN2C[C@H]3CCC[C@@]3(c3nc(Cc4ccccc4)no3)C2)CC1 328604399 JMQCCABJDFRYPN-AUSIDOKSSA-N 409.534 1.788 0 50 HDAA COc1ccc(-c2ccnc(C3CCN(S(=O)(=O)c4cnnn4C)CC3)n2)cc1 952892925 KBIFGYMGPOVMPR-UHFFFAOYSA-N 414.491 1.849 0 50 HDAA Cc1oc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)NCCc1ncnn1C 1506395545 JWRNKQGFAZXTQV-UHFFFAOYSA-N 405.358 1.911 0 50 HDAA O=C(CCc1ccsc1)N1C[C@H]2CN(C(=O)c3cccc(O)c3)C[C@@]2(CO)C1 1772708136 CFKBLCBTRUZUSD-LAUBAEHRSA-N 400.500 1.979 0 50 HDAA CCOCC(=O)N1C[C@@H]2CN(C(=O)CNC(C)=O)C[C@]2(CCc2ccccc2)C1 1772711856 GRSHOPUIWJVNIS-SIKLNZKXSA-N 401.507 1.079 0 50 HDAA O=C(N[C@@H]1CO[C@@H]2[C@H](O)CO[C@H]12)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 1857680765 URIKIMNJUKSIPX-VURPSTOHSA-N 409.417 1.935 0 50 HDAA COc1cccc(C(=O)NC[C@@H]2C[C@H](C)CCN2C(=O)c2cc3ncccn3n2)n1 1875340356 XGSYSRQXFYPYKE-CABCVRRESA-N 408.462 1.804 0 50 HDAA Cc1cc(C)c(S(=O)(=O)NCC(=O)Nc2ccc(S(N)(=O)=O)cc2)c(C)c1 2837791 URWXQDRNJPZGKD-UHFFFAOYSA-N 411.505 1.176 0 50 HDAA Cc1ccc(S(=O)(=O)N2CCN(C(=O)C[C@@H](C)n3nc(C)nc3C)CC2)cc1 8844831 BXHMUIFDBHVBEB-OAHLLOKOSA-N 405.524 1.688 0 50 HDAA CCOC(=O)c1n[nH]cc1CN(CC1CCN(CCOC)CC1)C[C@H]1CCCO1 11816601 RZSXNAVWYPBADK-LJQANCHMSA-N 408.543 1.926 0 50 HDAA COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NCc2ccncc2C)c(F)c1 11818654 TYWRDSYQSSYCAE-LJQANCHMSA-N 400.454 1.545 0 50 HDAA COC(=O)C1CCN(C[C@H](O)COc2ccc(CNC3CCN(C)CC3)cc2)CC1 12430170 GYMXGTHXGPBSFD-NRFANRHFSA-N 419.566 1.495 0 50 HDAA CCN(CCn1cccn1)C(=O)c1cccc(OC2CCN(S(C)(=O)=O)CC2)c1 12586723 DZKNTSFWYDOWTD-UHFFFAOYSA-N 420.535 1.848 0 50 HDAA O=C1N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCN(Cc3ccc4ncccc4c3)C[C@H]12 14542146 VFANRKCVKLMCTN-FCHUYYIVSA-N 416.481 1.694 0 50 HDAA Cc1cc(C)cc(NC(=O)N[C@H]2C[C@H]3C(=O)N[C@H](Cc4ccc(O)cc4)C(=O)N3C2)c1 14740852 SKSOFMNFRZCIKQ-SXLOBPIMSA-N 422.485 1.841 0 50 HDAA CN1CCN(S(=O)(=O)c2cccc(C(=O)Nc3ccc4c(c3)OCCO4)c2)CC1 16020110 DHXCRVISYIKBBC-UHFFFAOYSA-N 417.487 1.646 0 50 HDAA CCOC(=O)c1cc(C2CC2)nc2c1c(=O)n(CCc1c(C)noc1C)c(=O)n2C 20168580 CVNAQEHRFSQIOW-UHFFFAOYSA-N 412.446 1.997 0 50 HDAA CCN1CCN(C[C@@H](O)COc2ccc(CNCCCSC)cc2OC)CC1 20906769 NODDZTGAYIRHPS-LJQANCHMSA-N 411.612 1.915 0 50 HDAA CNC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)c3cccc(OC)c3)CC2)cc1 44783079 DMNBMQBLLHUHSK-UHFFFAOYSA-N 417.487 1.202 0 50 HDAA Cc1nn(C)c(C)c1CN(C(=O)C[C@H]1C(=O)NCCN1Cc1cccnc1)C(C)C 55182500 FFAGFIKCIHQCQY-FQEVSTJZSA-N 412.538 1.560 0 50 HDAA O=C(Cn1nc(N2CCOCC2)ccc1=O)Nc1nnc(C2CCCCC2)s1 61720173 VZJJFRQYDBOBBX-UHFFFAOYSA-N 404.496 1.618 0 50 HDAA COc1ccccc1N1CCN([C@H]2CCCN(C(=O)CCCn3cncn3)C2)CC1 64131528 AXRUZCRHKDLECS-IBGZPJMESA-N 412.538 1.880 0 50 HDAA Cc1c[nH]c(CN(C)C(=O)[C@@H]2[C@@H]3C=C[C@@]4(CN(Cc5ccc(F)cc5)C(=O)[C@H]24)O3)n1 77390503 NTCDVWSTWZKJSU-ZBPHCFQXSA-N 410.449 1.798 0 50 HDAA CCn1c(Sc2cc(C(F)(F)F)nc3ncnn23)nnc1N1CCOCC1 301069604 CUQBSVVKPFFQCZ-UHFFFAOYSA-N 400.390 1.742 0 50 HDAA CNS(=O)(=O)C[C@H]1CCCN1C(=O)[C@@H](CC(C)C)N1C(=O)c2ccccc2C1=O 488790851 XPTZKLNHLSWZDS-RHSMWYFYSA-N 421.519 1.238 0 50 HDAA O=C1COc2cc(C(=O)Nc3ccc(OCC(=O)N4CCOCC4)cc3)ccc2N1 828290483 PDZQUPHXYYFZJK-UHFFFAOYSA-N 411.414 1.507 0 50 HDAA Cc1cc(S(=O)(=O)N2CCC(N3CCN(CCO)CC3)CC2)c(Cl)cc1F 952861260 ZMIHBLLDFGGURR-UHFFFAOYSA-N 419.950 1.551 0 50 HDAA Cc1nn(CC(F)(F)F)c(C)c1CC(=O)N[C@@H]1CCc2c(nc(C)n2CCO)C1 1346864969 ZDVMODINNWAIEC-CQSZACIVSA-N 413.444 1.776 0 50 HDAA CCOC(=O)[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CCN(C(=O)c1c(C)ncn1C)C2 1857691311 GDLGOKNPFGGOOJ-JBYIUTFZSA-N 418.538 1.625 0 50 HDAA C[C@@H](NC(=O)c1cc2c(s1)CCOC21CCN(C(=O)CN)CC1)C(F)(F)F 1857704785 FZHQVQJCFGOYMB-SNVBAGLBSA-N 405.442 1.778 0 50 HDAA COCC(=O)N1CCC[C@]2(CCc3c2nc(C2CC2)[nH]c3=NC2CCOCC2)C1 1875251226 ZNNNDFICVKAZNK-QFIPXVFZSA-N 400.523 1.820 0 50 HDAA CCc1ccccc1S(=O)(=O)NC(=O)c1nc(N(C)C)ncc1Br 1875362778 SDMNLMLUZWHTEJ-UHFFFAOYSA-N 413.297 1.986 0 50 HDAA CS(=O)(=O)NC(=O)c1cccnc1N1CCN(Cc2ccc(Cl)cc2)CC1 1875390742 FRLOONQZUFTMSO-UHFFFAOYSA-N 408.911 1.747 0 50 HDAA CC(=O)Nc1c(O)nc(SCC(=O)N2CCN(c3ccc(F)cc3)CC2)[nH]c1=O 2836714 ATNQPCAKOUNXBK-UHFFFAOYSA-N 421.454 1.014 0 50 HDAA COCCC(=O)N1CCC(Oc2ccc(C(=O)NCCN3CCOC3=O)cc2)CC1 11843180 BRBLOECEBFUHHC-UHFFFAOYSA-N 419.478 1.275 0 50 HDAA COCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(Cl)cc1Cl 16382825 JTSGHDKPYVBNLY-UHFFFAOYSA-N 412.277 1.847 0 50 HDAA biogenic Cn1cc(Cl)c(NC(=O)CCn2ccc(C(=O)Nc3nn(C)cc3Cl)n2)n1 20617386 XKOCWVMFESPPTF-UHFFFAOYSA-N 411.253 1.938 0 50 HDAA O=C1C[C@@H](N2CCN(Cc3ccccc3)CC2)C(=O)N1c1ccc2c(c1)OCCO2 22972183 ACELSMMHYIBRBJ-LJQANCHMSA-N 407.470 1.908 0 50 HDAA CNC(=O)[C@@H]1C[C@@H](n2cc(CN(C)C(=O)C34CC5CC(CC(C5)C3)C4)nn2)CN1 67786861 UTGJSVQFKKMQES-GLTYYMKBSA-N 400.527 1.102 0 50 HDAA CCn1ccnc1CN(C)C(=O)[C@@H]1CCCN(C2CCN(C(=O)C3CC3)CC2)C1 71759436 PGAOFVGHVHPTCL-GOSISDBHSA-N 401.555 1.974 0 50 HDAA N[C@@H](CO)C(=O)N1CCc2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2C1 77379596 YMLAQBGVQYIDTR-IBGZPJMESA-N 415.515 1.032 0 50 HDAA CN(CCc1ccccn1)C(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(Cc4cccnc4)C(=O)[C@@H]13)O2 77515646 WTYNVXGDIZABQG-GJPOJAMWSA-N 404.470 1.460 0 50 HDAA CCc1nc(-c2c3n(c(=O)n(CC(=O)Nc4cc(C)on4)c2=O)CCCCC3)no1 169763954 YSLLMUXXQUAJPR-UHFFFAOYSA-N 414.422 1.284 0 50 HDAA Cn1c(=O)ccn(CC(=O)N2CCCC[C@H]2c2nnc(-c3ccccc3F)o2)c1=O 328605059 MCULTTJAAXRTLN-HNNXBMFYSA-N 413.409 1.490 0 50 HDAA COc1ccc(S(C)(=O)=O)cc1C(=O)N[C@@H]1CCN(Cc2ccccc2)C1=O 479639064 KPFRTGWHARJTSU-QGZVFWFLSA-N 402.472 1.630 0 50 HDAA O=C1COc2ccc(S(=O)(=O)NCc3nncn3CCc3ccccc3)cc2N1 670447618 ZZACDLQSBVGJHR-UHFFFAOYSA-N 413.459 1.330 0 50 HDAA Cc1noc(COCC(=O)N2CC[C@](c3nc(C4CC4)no3)(C(F)(F)F)C2)n1 952891606 AOQHZHMVSBWVNY-HNNXBMFYSA-N 401.345 1.888 0 50 HDAA CNC(=O)c1cc(S(=O)(=O)N2CCc3[nH]nc(C4CC4)c3CC2)ccc1OC 1857709736 OJEVRHCDNRAGLB-UHFFFAOYSA-N 404.492 1.445 0 50 HDAA O=C(COc1ccsn1)N[C@@H]1Cc2ccccc2[C@H]1NC(=O)[C@H]1CCc2c[nH]nc21 2325851424 ZKVGRQZAOFAESN-RZQQEMMASA-N 423.498 1.873 0 50 HDAA O=C1CC[C@H](N2Cc3c(C(=O)NCc4ccc(C(=O)O)cc4)cccc3C2=O)C(=O)N1 2325896827 HXNLFKCWEFWQMD-KRWDZBQOSA-N 421.409 1.076 0 50 HDAA CS(=O)(=O)NCCOc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1 2171113 VGZAVGKNPWXJBE-UHFFFAOYSA-N 410.517 1.756 0 50 HDAA O=C1N[C@H](c2ccc3c(c2)OCO3)[C@H](C(=O)c2cccnc2)[C@@](O)(C(F)(F)F)N1 4269939 NGXKDHNDHYWXGJ-CKEIUWERSA-N 409.320 1.914 0 50 HDAA COCC1CCN(C(=O)C[C@H]2C(=O)NCCN2Cc2ccc(OC)c(C)c2)CC1 11874802 OQHOSWDOMFKOPE-IBGZPJMESA-N 403.523 1.579 0 50 HDAA COc1ccc(N2CCCCS2(=O)=O)cc1S(=O)(=O)NC[C@H]1CCCO1 12004562 WTOAHFKPSTUNQQ-CQSZACIVSA-N 404.510 1.083 0 50 HDAA Cn1ccnc1SCCNC(=O)c1cn(C[C@H]2COc3ccccc3O2)nn1 12315864 UJDPCLKGQTVIBF-ZDUSSCGKSA-N 400.464 1.374 0 50 HDAA Cc1nonc1C(=O)N1CC(=O)N(C2CCCCC2)C[C@H](OCc2ccccn2)C1 14746083 LEABCSKFKNOECW-GOSISDBHSA-N 413.478 1.976 0 50 HDAA COc1ccccc1CN1C[C@H](C(=O)NCCn2nnc3ccccc32)CCC1=O 15064904 LKGSLNNGKPUNAT-QGZVFWFLSA-N 407.474 1.995 0 50 HDAA C[C@H]1C[C@@H](C)CN(CCCNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)C1 65361787 ULXHTEHURYMBSN-HDICACEKSA-N 423.579 1.805 0 50 HDAA COc1cccc(S(=O)(=O)NCCNc2cc(N3CCOCC3)nc(C)n2)c1 67613985 NFOJGCNRPDNRHS-UHFFFAOYSA-N 407.496 1.021 0 50 HDAA CC(=O)O[C@@H]1O[C@H](C)[C@H](OCOCC[Si](C)(C)C)[C@H](OC(C)=O)[C@@H]1OC(C)=O 169834573 ZALSECPGTHUQES-TWKLXCTBSA-N 420.531 1.855 0 50 HDAA COc1cccc(N2CCN(C(=O)CC[C@@]3(CCC(=O)O)CCC(=O)N3)CC2)c1 222401323 GBQSRQKGXAJKGP-OAQYLSRUSA-N 403.479 1.638 0 50 HDAA CC[C@@H](C)NC(=O)Cn1c(=O)ncc2cc(S(=O)(=O)N3CCCC[C@H]3C)ccc21 248141843 CIZMTNGRJGCKQQ-HUUCEWRRSA-N 420.535 1.874 0 50 HDAA Cn1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCC(c4ncc[nH]4)CC3)cc2)n1 328600177 WKCOKYBBQCCWPB-UHFFFAOYSA-N 414.491 1.964 0 50 HDAA Cc1ccc(C(=O)NC[C@H]2CCCN(C(=O)CCn3ccc(O)nc3=O)C2)s1 952964610 MTLLCGDSNMAJBU-CQSZACIVSA-N 404.492 1.378 0 50 HDAA O=C1C[C@@H](C(=O)N(CCc2ccc(Cl)cc2)C[C@@H](O)C(F)(F)F)NC(=O)N1 1468614572 NWOHWGCROHYVKX-NWDGAFQWSA-N 407.776 1.232 0 50 HDAA Cc1sc(-c2cc(C(F)(F)F)n[nH]2)cc1S(=O)(=O)N1CCN(C)C(=O)C1 1506417433 IJVADWWPNWLDEP-UHFFFAOYSA-N 408.427 1.928 0 50 HDAA CN(Cc1ccccc1)S(=O)(=O)N[C@@H]1[C@H]2CC[C@@H]1CN(C(=O)[C@@H]1CCCO1)C2 1857688065 RQBYDLVGJKAOHJ-ZSYWTGECSA-N 407.536 1.369 0 50 HDAA Cc1ccc(C2(O)CCN(C(=O)[C@@H]3CC(=O)N(c4nnc(C)s4)C3)CC2)nc1 1857737204 AWRXXWNDVOJDDL-CQSZACIVSA-N 401.492 1.413 0 50 HDAA COc1ccc(C(=O)Nc2ccc(C(=O)O)cc2)cc1S(=O)(=O)N1CCOCC1 837297 KOVBLIKZNHOYBH-UHFFFAOYSA-N 420.443 1.667 0 50 HDAA Cc1cc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)ccc1Br 851798 YCDVKIOZFOAQNJ-UHFFFAOYSA-N 406.240 1.143 0 50 HDAA biogenic O=C(Cc1ccc(F)cc1Cl)NCCn1cc(C(=O)NCc2ccncc2)nn1 12243760 YKFQHWBHFBEIBK-UHFFFAOYSA-N 416.844 1.755 0 50 HDAA O[C@@H](COc1cccc(CN2CCC(N3CCCC3)CC2)c1)CN1CCOCC1 12429721 PLPAPQVUKPQRCG-JOCHJYFZSA-N 403.567 1.819 0 50 HDAA Cc1ccn(-c2ccc(N3CCN(S(=O)(=O)c4cccc(F)c4)CC3)nn2)n1 13009336 JNROGUHXIPRCNY-UHFFFAOYSA-N 402.455 1.621 0 50 HDAA O=C(NC[C@H]1CCCO1)[C@@H]1C[C@H](CN2CCOCC2)CN(CCc2ccccc2)C1 14535342 GTWNISPXZIEWSY-DNVJHFABSA-N 415.578 1.795 0 50 HDAA Cc1ccc2c(c1)CN(CC(=O)N1CCC(C(=O)N3CCOCC3)CC1)C[C@@H](C)O2 14997040 FDZWZDSTPSQQDA-GOSISDBHSA-N 415.534 1.675 0 50 HDAA CC(C)NC(=O)C(=O)NCCN1CCN(C(=O)c2ccc(C(C)(C)C)cc2)CC1 20386982 IXJNTBVJNCYNNX-UHFFFAOYSA-N 402.539 1.383 0 50 HDAA CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@@H]5C[C@@H]6[C@@H](OC)C[C@](O)([C@@H](C[C@H]23)[C@@H]14)[C@H]5[C@H]6O 28539613 BDCURAWBZJMFIK-OGVVJMRYSA-N 421.578 1.531 0 50 HDAA biogenic,in-vitro O=C(NCCNc1cc(N2CCOCC2)ncn1)c1ccccc1Br 82230696 FVPQDSTVWWTGKK-UHFFFAOYSA-N 406.284 1.918 0 50 HDAA COC(=O)c1cn(-c2cccc(N3CCCCS3(=O)=O)c2)cc2c(=O)[nH]nc1-2 253402538 GLZXDZXHMPXIAX-UHFFFAOYSA-N 402.432 1.382 0 50 HDAA C[C@@H](C(=O)N1CC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1)N1CCSCC1 253417678 DGRPRAHMKSLUCM-IRXDYDNUSA-N 412.600 1.577 0 50 HDAA Cc1ccc(-n2cccn2)cc1NC(=O)C(=O)Nc1cc(-c2nccn2C)nn1C 408518815 CCGIOSWIZMNUSO-UHFFFAOYSA-N 404.434 1.892 0 50 HDAA C[C@@](O)(C(=O)NC[C@@H](O)COc1ccc2c(c1)CCC(=O)N2)c1ccc(Cl)cc1 815807843 VSYXYUXQNBMXKM-IERDGZPVSA-N 418.877 1.988 0 50 HDAA O=C(NCC1CCN(C(=O)Cc2ccccn2)CC1)c1cn(-c2ccccc2)nn1 827910499 PBWCSOXSBJZBFL-UHFFFAOYSA-N 404.474 1.873 0 50 HDAA COc1ccc(OC)c2c1CN(C[C@@H](O)c1ccc(S(C)(=O)=O)cc1)C[C@@H]2O 917057163 QOAFPZMBXDVLST-SJORKVTESA-N 407.488 1.690 0 50 HDAA Cc1cc2[nH]cc(C(=O)N3CCc4nn(C)c(-c5ccccc5)c4CC3)c(=O)n2n1 1857701307 OQTOIVJWWUMFLG-UHFFFAOYSA-N 402.458 1.973 0 50 HDAA Cc1c(Cl)cccc1S(=O)(=O)N1CC[C@H]2[C@@H]1CC(=O)N2CCn1cccn1 1857706920 BQMKGGISWCXEFA-HOTGVXAUSA-N 408.911 1.909 0 50 HDAA CC1CCN(S(=O)(=O)N2CC[C@@]34O[C@@H](c5ccccc5)CN3C(=O)C[C@@H]24)CC1 1857729187 MFLJGBMMZIBXMA-GGPKGHCWSA-N 405.520 1.738 0 50 HDAA CCOC(=O)COc1cc2[nH]cc(C(=O)OCC)c(=O)c2cc1OCC(=O)OCC 6693749 QZWKQHXCRUKMEA-UHFFFAOYSA-N 421.402 1.589 0 50 HDAA Cc1cc(Cl)ccc1OCC(=O)N1CCc2nnc(CNC(=O)C3CC3)n2CC1 12042667 RKCLKXSXZIDPBS-UHFFFAOYSA-N 417.897 1.730 0 50 HDAA COCCN1C(=O)C[C@](CC(=O)N(CCOC)C(C)C)(c2ccccc2OC)C1=O 14881708 JMQOPQJNIXKXNO-JOCHJYFZSA-N 420.506 1.612 0 50 HDAA Cc1nc([C@@H](C)N(C)C(=O)CCCn2nnnc2CN2CCOCC2)c(C)s1 14948047 KNZTXOIINROSNA-CYBMUJFWSA-N 407.544 1.578 0 50 HDAA COc1cc2cc(CNC[C@H](O)CO)c(=O)n(Cc3ccc(C)cc3)c2cc1OC 14991247 OGHBKYXEQCYJOP-IBGZPJMESA-N 412.486 1.818 0 50 HDAA COC(=O)C1CCN(C[C@H](O)COc2cccc(CN(C)CCCN(C)C)c2)CC1 15079005 VRUVKYHIBLCNPB-NRFANRHFSA-N 421.582 1.695 0 50 HDAA COC(=O)c1c(NC(=O)CN2CCN(c3ncccn3)CC2)sc2c1CCCC2 35800819 BTFOJPXGQFVMHN-UHFFFAOYSA-N 415.519 1.964 0 50 HDAA CCCCN1CCN([C@H](C(=O)N(C)C2CCN(C)CC2)c2ccccc2)C(=O)C1=O 77376243 LKVWTTXVMDYOIG-FQEVSTJZSA-N 414.550 1.751 0 50 HDAA CC[C@H](OC)C(=O)N1CCc2cc(S(=O)(=O)NCc3cc(C)on3)ccc2C1 77438299 AGAGJOHKXTVCCH-SFHVURJKSA-N 407.492 1.771 0 50 HDAA COc1cccc2c1CCc1c(C(=O)NCc3ccc(S(N)(=O)=O)cc3)n[nH]c1-2 218596313 JIIQKUKZZHZJER-UHFFFAOYSA-N 412.471 1.761 0 50 HDAA Cc1c(C(=O)N[C@@H]2C3CN4CCN(C3)CC2(c2ccccc2)C4)cnc2ccnn12 670474321 MOJDHSAUVKOGOJ-VSZUSUSQSA-N 402.502 1.335 0 50 HDAA CN1CC(=O)N(CC(=O)N2CCC[C@@]3(CCc4cnc(-c5ccccc5)nc43)C2)C1=O 1704297385 PGUXMGNXBRGHGY-HSZRJFAPSA-N 419.485 1.844 0 50 HDAA Nc1ncc(CN2C[C@H]3CN(CCOc4ccc(Cl)cc4)C[C@]3(CO)C2)cn1 1772807236 SIOKPMHJVGAOIO-OXQOHEQNSA-N 403.914 1.517 0 50 HDAA CO[C@@H]1CC[C@H](C(=O)N(C)CCO)C[C@H]1NC(=O)c1ccc(-n2ccnc2)cc1 1857706593 MSPXLNPQFOMMTA-QXAKKESOSA-N 400.479 1.237 0 50 HDAA CC(C)C(=O)N1CCCNC(=O)c2nn(C)c3c2C[C@@H](CC3)N(C)C(=O)CCC1 1875242033 JXVWHZLWOILXNY-OAHLLOKOSA-N 403.527 1.134 0 50 HDAA COc1ccc(CN2C[C@H](NC(=O)c3cc(NC(C)=O)ccc3F)[C@H](O)C2)cc1 1875309926 VBQOHCTUOIJFHB-VQTJNVASSA-N 401.438 1.768 0 50 HDAA C=CC(=O)N1CCC(C(=O)N[C@H]2CCN(Cc3ccc(OC)cc3OC)C2=O)CC1 1875365040 ADIAIIKQBMAUPT-SFHVURJKSA-N 415.490 1.346 0 50 HDAA COc1cn(-c2cccc(C(F)(F)F)c2)nc1C(=O)N1CCC(O)(C(=O)O)CC1 2325743767 YSZUCNBKUNBNLQ-UHFFFAOYSA-N 413.352 1.951 0 50 HDAA COc1ccc(C(=O)Nc2ccccc2C(=O)O)cc1S(=O)(=O)N1CCOCC1 1230753 MGQMJDWQRNRNBG-UHFFFAOYSA-N 420.443 1.667 0 50 HDAA COC(=O)Cn1c(=O)c2c(nc3n(-c4cccc(Cl)c4)c(C)cn23)n(C)c1=O 4250666 RYGDQIBSCKQKEW-UHFFFAOYSA-N 401.810 1.273 0 50 HDAA Cc1cc2c(cc1S(=O)(=O)N1CCN(c3ccccc3F)CC1)n(C)c(=O)n2C 12446810 AZYHEAOOYZNVLG-UHFFFAOYSA-N 418.494 1.835 0 50 HDAA COC(=O)c1sccc1S(=O)(=O)Nc1cccc(C(=O)N2CCOCC2)c1 12652627 HZQRAFQUWSKMGA-UHFFFAOYSA-N 410.473 1.808 0 50 HDAA O=C(NCCc1nnc2n1CCN(Cc1c(F)cccc1F)CC2)c1cccnc1 19839295 PABOHDVZXMWDNG-UHFFFAOYSA-N 412.444 1.982 0 50 HDAA Cc1ccc2nc(CNC(=O)[C@@H]3CCC(=O)N(CCCN4CCOCC4)C3)cn2c1 20996597 YXHLYCSLQPOHJG-GOSISDBHSA-N 413.522 1.220 0 50 HDAA CCN(C)CC(=O)N1CCc2ccc(S(=O)(=O)N3CCC[C@H]3COC)cc2C1 107112989 VNHAZOMDWOGIGL-SFHVURJKSA-N 409.552 1.323 0 50 HDAA NC(=O)[C@@H]1Sc2[nH]c(=O)sc2[C@H](c2ccc(C(F)(F)F)cc2)[C@@H]1C(N)=O 109794924 MMUPTPZBDNUGPH-HRDYMLBCSA-N 403.407 1.648 0 50 HDAA O=C(C[C@@H]1N=C(O)N(c2ccccc2)C1=O)NCCn1cnc2ccccc2c1=O 252484190 FQWYGPGNMVYCHM-KRWDZBQOSA-N 405.414 1.232 0 50 HDAA Cc1cnn(C2CN(C(=O)[C@@H]3CN(S(=O)(=O)c4ccccc4Cl)CCO3)C2)c1 253428885 RLUAJSMXCQMOBV-INIZCTEOSA-N 424.910 1.318 0 50 HDAA COc1ccc(-n2cnnc2)cc1NC(=O)c1ccc(N(C)S(C)(=O)=O)cc1 952980950 YCYNUWVIQKFGHG-UHFFFAOYSA-N 401.448 1.924 0 50 HDAA Cc1cc(C[C@@H]2CN(Cc3ccccc3OCCN3CCN(C)CC3)C[C@H]2O)n[nH]1 1529147368 YBUQBFWTAKRNSU-IFMALSPDSA-N 413.566 1.380 0 50 HDAA O=C1CCOC2(CCN(c3nc4ccccc4o3)CC2)CN1CCN1CCOCC1 1704316316 XUDDMTRMZDMXQK-UHFFFAOYSA-N 414.506 1.748 0 50 HDAA CN(C)S(=O)(=O)N1C[C@H]2CN(Cc3ncc[nH]3)C[C@]2(CCc2ccccc2)C1 1772816223 IWMAFEJDLHBNKB-UYAOXDASSA-N 403.552 1.583 0 50 HDAA CCC(CC)(NC(=O)C1CN(C(=O)CCc2csc3nc(C)cn23)C1)C(N)=O 2325724936 CNNLSUJPALDBBV-UHFFFAOYSA-N 405.524 1.256 0 50 HDAA O=C(NCCC(=O)N1CCO[C@@H](c2cccc(O)c2)C1)c1ccc(-c2nn[nH]n2)cc1 2325743221 WNKHQLGGSMUXFS-GOSISDBHSA-N 422.445 1.292 0 50 HDAA NC(=O)c1ccccc1NC(=O)CCSCCC(=O)Nc1ccccc1C(N)=O 2750701 OZRSGRBYCMFDDC-UHFFFAOYSA-N 414.487 1.975 0 50 HDAA O=C(CSCc1c[nH]c(=O)[nH]c1=O)OCC(=O)c1ccc(Br)cc1 2992160 XDNIHXMUFMLAGW-UHFFFAOYSA-N 413.249 1.485 0 50 HDAA O=C(NCCN1CCOC1=O)c1cccc(OC2CCN(C(=O)C3CC3)CC2)c1 12438325 VRHBCZYJVZXZDX-UHFFFAOYSA-N 401.463 1.648 0 50 HDAA O=C1N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N2CCN(C(=O)c3ccc(F)cc3)C[C@H]12 14733105 DBZFPHLFRIIDOG-VQTJNVASSA-N 420.444 1.701 0 50 HDAA O=C1N[C@@H](COCc2ccccc2)C(=O)N2CCN(CCCc3ccccc3)C[C@H]12 14744664 BHEIUUDTXDTUKH-FCHUYYIVSA-N 407.514 1.847 0 50 HDAA CN(Cc1cccc2cccnc12)C(=O)[C@@H]1CCC(=O)N(CCN2CCOCC2)C1 20785539 FKEZFQWTOAZVRA-HXUWFJFHSA-N 410.518 1.764 0 50 HDAA Cc1cccc(S(=O)(=O)N2CCN(c3cc(N4CCOCC4)ncn3)CC2)c1 38541692 CMSGSOYZPZYEIX-UHFFFAOYSA-N 403.508 1.133 0 50 HDAA COc1ccccc1O[C@@H]1O[C@@H]2CO[C@H](c3ccco3)O[C@@H]2[C@@H](O)[C@H]1NC(C)=O 239432953 WZDFNGJCDFNXKR-XVMXLUHGSA-N 405.403 1.372 0 50 HDAA C[C@H](CNC(=O)[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)O)NC(=O)[C@@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)O 245227982 UVEYHRIJZVRJOR-LDYZTHHBSA-N 406.479 1.101 0 50 HDAA COc1ccc(S(=O)(=O)NC[C@H]2CC[C@H](C(=O)N3CCC(=O)CC3)CC2)cc1 245255696 KZJUPDULEVRNMF-WKILWMFISA-N 408.520 1.971 0 50 HDAA O=C(CSc1nc(-c2ccco2)n[nH]1)N1CCC2(CC1)C[C@](O)(CO)CCO2 1704338212 OWTXKXZFRKJGJM-KRWDZBQOSA-N 408.480 1.052 0 50 HDAA CN(c1ccc(C(=O)N2CCO[C@@H](CO)[C@@H]2c2ccccc2)cc1)S(C)(=O)=O 1875247820 PTNODSJVFSLTIC-OALUTQOASA-N 404.488 1.657 0 50 HDAA Cn1c(=O)c2c(nc(NC[C@H](O)c3ccccc3)n2Cc2ccc(F)cc2)n(C)c1=O 1127301 CBYZPYLGXCGIHJ-KRWDZBQOSA-N 423.448 1.767 0 50 HDAA COCCNC(=O)CN(c1ccc(OC)cc1OC)S(=O)(=O)c1ccc(C)cc1 4982930 QVJBUWJNHPQYPF-UHFFFAOYSA-N 422.503 1.970 0 50 HDAA Cc1c(C)n2c3c(=O)n(C/C=C/c4ccccc4)c(=O)n(C)c3nc2n1CCCO 10233632 HHGCDDUJOVCNCM-YRNVUSSQSA-N 407.474 1.862 0 50 HDAA O=C(NCCc1nnc2n1CCN(Cc1ccc3c(c1)OCCO3)CC2)c1ccco1 11973432 YBMKBZLVUOUAGD-UHFFFAOYSA-N 423.473 1.673 0 50 HDAA COc1cccc(CNCC2CCN(C)CC2)c1OC[C@H](O)CN1CCOCC1 12464458 FHNLZQBUXPXCOC-HXUWFJFHSA-N 407.555 1.199 0 50 HDAA COc1ccc(CN2CCNC(=O)C2)cc1OC[C@H](O)CN(C)Cc1ccccc1 12714294 SJWMYCXURMHJRA-HXUWFJFHSA-N 413.518 1.499 0 50 HDAA COCc1ccc(CN2CCc3nnc([C@@H](NS(C)(=O)=O)C(C)C)n3CC2)o1 14980493 ATJCRINCRJRSOA-KRWDZBQOSA-N 411.528 1.322 0 50 HDAA COc1ccc(S(=O)(=O)NC[C@@H]2CCCN(C(=O)c3cnc(C)cn3)C2)cc1 15074572 RFZNMWCCNBNPLG-HNNXBMFYSA-N 404.492 1.624 0 50 HDAA CN1CCN(C(=O)c2cn(CCNC(=O)c3ccccc3C(F)(F)F)nn2)CC1 20780483 AIEVCJNTMZCWHF-UHFFFAOYSA-N 410.400 1.115 0 50 HDAA COc1ccc(C(=O)N2CCN(c3cc(N4CCOCC4)ncn3)CC2)cc1OC 38522442 LKQBYLNNDXRCHK-UHFFFAOYSA-N 413.478 1.293 0 50 HDAA COCCNC(=O)c1ccccc1NC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 225422063 WREIPYPVHKFXEZ-CVEARBPZSA-N 410.474 1.876 0 50 HDAA biogenic CC[C@@]1(C)NC(=O)N(NC(=O)CN2CCC[C@H]2c2ccc3c(c2)OCCCO3)C1=O 252444065 ZIVNZGYVALGXCC-YCRPNKLZSA-N 416.478 1.737 0 50 HDAA COc1cccc(CN2CCC[C@@]3(CCN(C(=O)c4cc(C)nc(N)n4)C3)C2=O)c1 426373892 YKLAZWOYUOLGFO-QFIPXVFZSA-N 409.490 2.031 0 50 HDAA CC(=O)NCc1cc2n(n1)CCN(S(=O)(=O)c1cc(C)c(F)cc1Cl)C2 426489402 SWWQCAVZIVRYPF-UHFFFAOYSA-N 400.863 1.825 0 50 HDAA Cc1ccc(N(CC(=O)Nc2cccc(-n3nnnc3C)c2)S(C)(=O)=O)cc1 952983655 PZJHRQSKUXLLSD-UHFFFAOYSA-N 400.464 1.684 0 50 HDAA O=C(NC[C@@H](O)CN1CCCCC1)c1c(N2CCOCC2)noc1-c1ccccc1 1704303631 AEMIEVGADYUVOO-GOSISDBHSA-N 414.506 1.755 0 50 HDAA CSCC(=O)N1C[C@@H]2CN(C(=O)c3n[nH]c4ccccc34)C[C@@]2(CN(C)C)C1 1772709670 IYLPESRHGLEWOO-JLTOFOAXSA-N 401.536 1.388 0 50 HDAA CN(C)c1nc2c(c(N3C[C@H]4CN(Cc5ccns5)C[C@]4(CO)C3)n1)CCCC2 1772809826 FMEOMOSNDALFOH-QVKFZJNVSA-N 414.579 1.809 0 50 HDAA COC(=O)[C@H]1C[C@H]2CN(C(=O)c3cnn4ccn(C)c34)CC(=O)N2[C@H]1c1ccccc1 1857725177 LQVAAXOWLIAIOA-BXWFABGCSA-N 421.457 1.260 0 50 HDAA CCOCC(=O)N1CCC[C@]2(CCc3c2nc(-c2cccnc2)[nH]c3=NCCO)C1 1875247218 GCADBUGXWZQVSA-QFIPXVFZSA-N 411.506 1.208 0 50 HDAA Cc1ncsc1-c1cn(-c2ccc3c(c2)CN([C@@H]2CCC(=O)NC2=O)C3=O)nn1 1875355515 MBFZOLNATSSWEK-OAHLLOKOSA-N 408.443 1.460 0 50 HDAA COc1cc(O)c(Cl)c2c1C(=O)O[C@@H](C)CC[C@@]1(O)CC[C@H](O)[C@@H](O1)C(=O)C2 2332925072 RULRWFRHJIEKGR-FNDPWULDSA-N 414.838 1.733 0 50 HDAA C[C@]1(O)CC2(CCN(C(=O)c3c[nH]c4cc(Cl)ccc4c3=O)CC2)OC[C@@H]1O 2356144851 OUYRJIZUQDXKAY-LPHOPBHVSA-N 406.866 1.689 0 50 HDAA CCn1c(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)nnc1-c1cnccn1 2234324 YPWKVIRXKVGNPA-UHFFFAOYSA-N 419.492 1.133 0 50 HDAA CCCN1C(=O)/C(=C\C=C2/Oc3ccccc3N2CCC(=O)O)N(CCO)C1=S 4774860 MLOUQZCXEHRJSD-FKYNTUOXSA-N 417.487 1.917 0 50 HDAA CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NCc3ccccc3)c2)CC1 6337347 GZLSVXDTKADKDF-UHFFFAOYSA-N 401.488 1.469 0 50 HDAA CC1(C)C(=O)NC(=S)N2C(=O)C[C@@H](C(=O)Nc3cc(Cl)cc(Cl)c3)N21 6754807 NAJXLZCHHGALTM-JTQLQIEISA-N 401.275 1.943 0 50 HDAA O=C(CCn1c(=O)[nH]c2ccccc2c1=O)N1CCN(C/C=C/c2ccccc2)CC1 20426307 FRMWOYMHKNBTSD-RMKNXTFCSA-N 418.497 1.938 0 50 HDAA CN(Cc1ccc2nonc2c1)C(=O)[C@@H]1CCC(=O)N(CCCN2CCOCC2)C1 20776608 MEFJNAUCIYNKKA-QGZVFWFLSA-N 415.494 1.142 0 50 HDAA Cc1ccccc1N1CCN(c2ncccc2CNC(=O)c2c[nH]c(=O)cn2)CC1 67771461 WPWBMWHUHNVZQB-UHFFFAOYSA-N 404.474 1.730 0 50 HDAA CSCC[C@H](N)C(=O)NC[C@H]1CC[C@H](C(=O)N[C@@H](CCSC)C(=O)O)CC1 247962416 FYDISJJPVLNTGQ-AJNGGQMLSA-N 419.613 1.312 0 50 HDAA biogenic COC(=O)Nc1cc(NC(=O)C(=O)NC2CCN(C[C@@H]3CCCO3)CC2)ccc1F 743947735 UEELSZRWPXAHIC-HNNXBMFYSA-N 422.457 1.702 0 50 HDAA COC(=O)CCc1cncc(NC(=O)[C@](C)(N)c2ccc(S(C)(=O)=O)cc2)c1 952878914 FFCLPHJMIQSHQU-LJQANCHMSA-N 405.476 1.403 0 50 HDAA Cc1ccccc1C(=O)N1CCC(C(=O)N2C[C@]3(C(=O)O)C[C@]3(C(=O)O)C2)CC1 1704307046 RLNRYPQPUQAAGX-OYRHEFFESA-N 400.431 1.235 0 50 HDAA Cc1ccccc1-c1nnc(N2CCNC(=O)C2)n1CCC(=O)N1CCCCCC1 1751672631 ICXTXQVQQHVLII-UHFFFAOYSA-N 410.522 1.982 0 50 HDAA O=C(c1cnsc1)N1C[C@@H]2CN(C(=O)c3scc4c3OCCO4)C[C@]2(CO)C1 1772709195 HRQJPLIQJNAQCL-XIKOKIGWSA-N 421.500 1.183 0 50 HDAA CC[C@@]12COC(=O)N1CCN(C(=O)c1ccc3c(c1)[nH]c(=NCCOC)n3C)C2 1857676444 HFDHWCNNERNWTP-HXUWFJFHSA-N 401.467 1.110 0 50 HDAA N=c1[nH]c(C(=O)N2CC[C@H]3[C@@H]2CC(=O)N3Cc2nc3ccc(F)cc3[nH]2)cs1 1857688689 WRLDGMFDSNDAKB-KBPBESRZSA-N 400.439 1.587 0 50 HDAA CCN1CC[C@@H]2C[C@@H](N3CCOCC3)CC[C@@]2(C(=O)NCc2cc(COC)n[nH]2)C1 1857704852 IGJGQNSOQTYXGR-PIPMEXSNSA-N 419.570 1.385 0 50 HDAA O=C(NC[C@H]1CCCCN1)c1ccncc1S(=O)(=O)N1CCc2ccccc2C1 1875305699 YSRQJCJJTLHMGU-GOSISDBHSA-N 414.531 1.701 0 50 HDAA CC(C)(C)CC(=O)NCC(=O)N[C@H]1COCCN(C(=O)C2SCCCS2)C1 1875347534 PAPWABSXHCFAFI-CYBMUJFWSA-N 417.597 1.079 0 50 HDAA O=C(NC[C@H]1CC2(CCNCC2)C(=O)O1)c1[nH]nc2ncc(Br)cc12 2325853773 AYSBBBFRFMMBQX-SNVBAGLBSA-N 408.256 1.136 0 50 HDAA O=C(N[C@@H]1C[C@H]1NC(=O)c1cn([C@H]2CCOC2)cn1)c1cccc(-n2cccc2)c1 2325872146 KDSYBPICBHXZFR-IPMKNSEASA-N 405.458 1.936 0 50 HDAA CC(C)(C)CN(CC(=O)O)C(=O)c1ccc2c(c1)C(=O)N([C@H]1CCC(=O)NC1=O)C2 2325896761 GHCBOQBYRGDGBK-HNNXBMFYSA-N 415.446 1.021 0 50 HDAA Cc1cccc(S(=O)(=O)Nc2ccc3c(c2)CN([C@H]2CCC(=O)NC2=O)C3=O)c1 2325897033 MSGIMIUTQKVWSI-KRWDZBQOSA-N 413.455 1.557 0 50 HDAA COc1ccc(C(=O)NCCc2ccccc2)cc1S(=O)(=O)N1CCOCC1 990809 BLYUYIWTMPHUAS-UHFFFAOYSA-N 404.488 1.689 0 50 HDAA O=S(=O)(c1ccc2ccccc2c1)N1CCN(S(=O)(=O)N2CCCCC2)CC1 2890414 GHYCBGNNNVZIFN-UHFFFAOYSA-N 423.560 1.877 0 50 HDAA aggregator CC(=O)Nc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 2988986 DMYGAXBMBGTZMZ-UHFFFAOYSA-N 403.460 1.918 0 50 HDAA CCn1c(SCC(=O)Nc2sc3c(c2C(N)=O)CCC3)nnc1C(C)(C)O 6605346 XDJGHTGXAQTCLT-UHFFFAOYSA-N 409.537 1.905 0 50 HDAA CCOC(=O)CCNC(=O)N1CCC[C@H](CNS(=O)(=O)Cc2ccccc2)C1 12315607 LUDRVQYVYLUTJG-QGZVFWFLSA-N 411.524 1.481 0 50 HDAA O=C1CC[C@H](C(=O)N2CCC(Cn3cccn3)CC2)CN1CCCN1CCOCC1 19740463 GUJBBUCKKIEJGD-FQEVSTJZSA-N 417.554 1.083 0 50 HDAA C[C@@H]1CCCN(CCCNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)C1 46959706 JBEOSRUXQUHTBA-QGZVFWFLSA-N 409.552 1.559 0 50 HDAA C[C@@H](O)CCNS(=O)(=O)c1ccc2c(c1)CN(C(=O)C(=O)c1ccco1)CC2 77298927 VQRRNVAJIZGYKR-CYBMUJFWSA-N 406.460 1.096 0 50 HDAA CCN(Cc1noc(C)n1)C(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(Cc4cccnc4)C(=O)[C@H]13)O2 77323069 ZRUVZHMWPKHMTB-DBSRCYSRSA-N 409.446 1.104 0 50 HDAA COc1ccc(F)c(C(=O)NCCS(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c1OC 170606399 GXTGCJOQMHSQAA-RYUDHWBXSA-N 404.460 1.012 0 50 HDAA COc1ccc(NC(=O)CCCC[C@@H]2[C@@H]3NC(=O)N[C@H]3CS2(=O)=O)cc1Cl 248149787 VLSHMHMVJFJDLO-JGGQBBKZSA-N 415.899 1.695 0 50 HDAA CCCC(=O)N1CCc2c(C(=O)OC)c(OCC[C@H]3CCCN3C)cc(=O)n2CC1 299789130 XDZPNQKSBAYLLV-MRXNPFEDSA-N 419.522 1.683 0 50 HDAA O=C(N[C@@H]1C2CN3CCN(C2)CC1(c1ccccc1)C3)c1ccccc1-n1cnnc1 670441529 XKMSRQRJIPYTHB-NBTXJNEHSA-N 414.513 1.565 0 50 HDAA CC(=O)NCCc1ccc(C(=O)COC(=O)[C@H]2CCCN2C(=O)C(F)(F)F)s1 786586092 UJEQPTBRRGXIIC-GFCCVEGCSA-N 420.409 1.706 0 50 HDAA O=C1C[C@H](C(=O)N(CCO)Cc2cnn(Cc3ccccc3)c2)[C@H]2CCCC[C@@H]2N1 1466160746 ZHJBFEMSHCONJE-HKBOAZHASA-N 410.518 1.947 0 50 HDAA CO[C@H]1C[C@@H](C(=O)N2CCC(n3cnnc3)CC2)CC[C@@H]1NC(=O)c1ccncc1 1857681945 FEZWZZYOUCVBIS-WDSOQIARSA-N 412.494 1.450 0 50 HDAA CSCC(=O)N1C[C@@H]2COC[C@]2(C(=O)N[C@H]2C[C@H](OCc3ccccc3)C2)C1 1857692736 RNXFGGRRUDEBCJ-NEYJZJCJSA-N 404.532 1.688 0 50 HDAA O=C1CC[C@@H](N2Cc3cc(C(=O)N4CCC[C@@]5(CCCCN5)C4)ccc3C2=O)C(=O)N1 2325896285 VPPHKONUTJVCIS-JPYJTQIMSA-N 424.501 1.196 0 50 HDAA C[C@@H](CC(=O)N=[S@]1(=O)CCCN(C(=O)c2cc(=O)n(C)cn2)CC1)C(F)(F)F 2332238769 KPMACRLSPJZINP-DNMZCBJRSA-N 422.429 1.209 0 50 HDAA CCOC(=O)N1CCN(C(=O)CN(c2ccc(Cl)cc2C)S(C)(=O)=O)CC1 879045 XMRSSDYQPZTWMU-UHFFFAOYSA-N 417.915 1.715 0 50 HDAA CCOCCn1c(=O)c2c(nc3n(-c4ccc(OC)cc4)c(C)c(C)n23)n(C)c1=O 4250821 NJSLPYCRVQWTMO-UHFFFAOYSA-N 411.462 1.801 0 50 HDAA O=C(COc1ccc(S(=O)(=O)N2CCCCC2)cc1Cl)N1CCOCC1 4502425 MCHQOFXRSAXBRT-UHFFFAOYSA-N 402.900 1.752 0 50 HDAA COc1ccc(N([C@H](C)C(=O)N2CC(=O)Nc3ccccc32)S(C)(=O)=O)cc1 4941388 DBRMETASPPSYME-CYBMUJFWSA-N 403.460 1.835 0 50 HDAA CN(Cc1cccc(OCCN2CCN(C(=O)C3CC3)CC2)c1)C[C@@H]1CCC(=O)N1 11980248 IJNRVJOUUZDHJQ-FQEVSTJZSA-N 414.550 1.330 0 50 HDAA COc1cc(CNCc2csc(C)n2)ccc1OC[C@H](O)CN1CCOCC1 12764141 YGAWSDCNFGXRTB-GOSISDBHSA-N 407.536 1.822 0 50 HDAA O=C(NCCN1CCCC1=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 72441753 GZLLXHCKXNMHJS-UHFFFAOYSA-N 413.927 1.479 0 50 HDAA C[C@H](O)CCNS(=O)(=O)c1ccc2c(c1)CN(C(=O)c1ncoc1C1CC1)CC2 77284595 YANJSOAERADHIY-ZDUSSCGKSA-N 419.503 1.800 0 50 HDAA CN(CCC(N)=O)C(=O)[C@H]1CCCN(C2CCN(C3Cc4ccccc4C3)CC2)C1 91713997 PZTBPAKTZKPNKB-FQEVSTJZSA-N 412.578 1.664 0 50 HDAA COCCCn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 253397840 WZONJJQBLJXHFU-OAHLLOKOSA-N 408.528 1.314 0 50 HDAA O=C1C[C@H](C(=O)N2CCN(c3ncnc4ccccc34)CC2)CN1Cc1ccccn1 827763087 FYCSKYHDZWEAEH-KRWDZBQOSA-N 416.485 1.722 0 50 HDAA O=C(CCNC(=O)[C@H]1CC(=O)N(Cc2cccnc2)C1)Nc1cc(F)ccc1F 952869881 OEKHOQUOXXKALO-AWEZNQCLSA-N 402.401 1.853 0 50 HDAA O=C(Cn1nnc(-c2ccccc2)n1)N1CC[C@@H](O)[C@@](CO)(Cc2ccccc2)C1 1857736519 KNYASHZDOMKABM-KNQAVFIVSA-N 407.474 1.155 0 50 HDAA COc1ccc(C(=O)N[C@@H]2C[C@@H](C(=O)NCCc3nccs3)CC[C@H]2O)cc1 1875245869 BLJKECIFMFQEKV-USXIJHARSA-N 403.504 1.770 0 50 HDAA CCOC(=O)c1ccc(S(=O)(=O)Nc2ccc3c(=O)n(C)c(=O)n(C)c3c2)cc1 2325776169 YMOHCORFINLYAO-UHFFFAOYSA-N 417.443 1.215 0 50 HDAA CCn1cnc2c(NCc3ccc4c(c3)C(=O)N([C@H]3CCC(=O)NC3=O)C4)ncnc21 2325897938 NJCGYXHYOUMECW-HNNXBMFYSA-N 419.445 1.219 0 50 HDAA COc1ccc(S(=O)(=O)N2CCC(C(=O)NCCCn3ccnc3)CC2)cc1C 4386196 ABZMBPAEJDIABC-UHFFFAOYSA-N 420.535 1.807 0 50 HDAA c1ccc2c(c1)OCCN1CCOCCOCCN(CCOCCOCC1)CCO2 4521189 QXLUTPDNMOEWGG-UHFFFAOYSA-N 424.538 1.142 0 50 HDAA Cc1cn2c3c(=O)n(Cc4ccccc4)c(=O)n(C)c3nc2n1CCCn1ccnc1 6665214 RCIABFBRQSQTQF-UHFFFAOYSA-N 417.473 1.793 0 50 HDAA CCOC(=O)N1CCN(C(=O)c2cccc(-n3cc(NC(=O)COC)cn3)c2)CC1 11964343 ZWYTZFKPNWWYBZ-UHFFFAOYSA-N 415.450 1.372 0 50 HDAA Cn1nc(C(=O)N2CCC[C@H](N3CCN(c4cccc(Cl)c4)CC3)C2)ccc1=O 12297662 VMLWQRNRAXOXMN-SFHVURJKSA-N 415.925 1.861 0 50 HDAA Cn1cnnc1SCCNC(=O)[C@@H]1CCC(=O)N(CCCc2ccccc2)C1 12586751 LBCGUUQBTOMYGZ-QGZVFWFLSA-N 401.536 1.895 0 50 HDAA COc1cccc(CN2CCNC(=O)[C@H]2CC(=O)N2CCN(C3CCCC3)CC2)c1 12713928 OHPYIDFWUIFOPJ-OAQYLSRUSA-N 414.550 1.473 0 50 HDAA Cc1ccc(CN[C@H]2C[C@H]3C(=O)N[C@@H](COCc4ccccc4)C(=O)N3C2)cc1F 14733318 QNVZUBUHRRPQCE-JBACZVJFSA-N 411.477 1.908 0 50 HDAA COc1cc(CNCC2CCOCC2)ccc1OC[C@H](O)CN1CCSCC1 14969968 XERFEVBJPFQPJE-LJQANCHMSA-N 410.580 2.000 0 50 HDAA CCN(CC)S(=O)(=O)c1cc2c(cc1Br)n(C)c(=O)c(=O)n2C 40544844 IUONTTUHNZTGIH-UHFFFAOYSA-N 404.286 1.030 0 50 HDAA Cc1nc(NCCNS(=O)(=O)c2cc(F)ccc2F)cc(N2CCOCC2)n1 65361815 RCXDAPXECHJPPE-UHFFFAOYSA-N 413.450 1.290 0 50 HDAA CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2noc(CC)n2)CCCC1 170600715 CKMNLWIRSCVRRP-CYBMUJFWSA-N 410.471 1.974 0 50 HDAA O=C(C[C@H]1N=C(O)N(Cc2ccco2)C1=O)NCCCCCc1nnc2ccccn12 252527907 DQBFBWXWNHQSPT-MRXNPFEDSA-N 424.461 1.866 0 50 HDAA O=C(C[C@@H]1NC(=O)c2ccccc2NC1=O)Nc1ccc2ncn(C3CC3)c(=O)c2c1 253408208 KMXYSONVOKASHH-SFHVURJKSA-N 417.425 1.811 0 50 HDAA biogenic COc1ccc(CN2C[C@H]3COC[C@@H]2CN(C(=O)CN2CCCC2=O)C3)c(C)c1 1704304955 PMBXWJSHTQVYHR-MJGOQNOKSA-N 401.507 1.285 0 50 HDAA Cc1ccnc(N2CCC3(CC2)OCC[C@@](C)(NC(=O)c2cccc(O)c2)[C@@H]3O)n1 1772710643 QUPAZOVXRBGCEV-PZJWPPBQSA-N 412.490 1.800 0 50 HDAA O=C(O)[C@]12CCOC[C@H]1CN(Cc1ccccc1OCCCN1CCOCC1)C2 1772710707 DGDPDWLJSIHICT-KNQAVFIVSA-N 404.507 1.711 0 50 HDAA CCOC(=O)[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CCN(C(=O)c1ccnn1CC)C2 1857691415 KDHTZUBWIMZUPH-JBYIUTFZSA-N 418.538 1.799 0 50 HDAA CCc1cc(C(=O)N2CCC[C@@H]2[C@@H]2CCN(C(=O)CC[C@H]3CCC(=O)NC3)C2)n[nH]1 1875362045 NXMIODQDNKQZPM-GPMSIDNRSA-N 415.538 1.732 0 50 HDAA C=CC(=O)N1CCC(C(=O)NCC(=O)N2CCN(c3ccc(Cl)cc3)CC2)CC1 1875369445 OOAWVGHIGVQYRH-UHFFFAOYSA-N 418.925 1.529 0 50 HDAA C[C@@H](CCCCNC(=O)[C@@H]1CC(=O)NC(=O)N1)NC(=O)c1cc2sccc2s1 2325850788 HTRKZRSHWXPMNZ-QWRGUYRKSA-N 422.532 1.966 0 50 HDAA Cn1ncc(C(=O)O)c1S(=O)(=O)N[C@@H]1[C@H]2Cc3cc(Br)ccc3[C@H]21 2325866765 ZDZZFPBIAKIFGT-CYZMBNFOSA-N 412.265 1.497 0 50 HDAA COc1cccc(OC[C@H](O)CNC(=O)CN2Cc3ccccc3O[C@@H](C)C2)c1 2356096817 BQWFMFDMODNVQW-FUHWJXTLSA-N 400.475 1.834 0 50 HDAA Cc1ccc(S(=O)(=O)NCCO)c(C)c1N(C)S(=O)(=O)c1ccc(F)cc1 4291784 SXGRVFFXORIFIE-UHFFFAOYSA-N 416.496 1.538 0 50 HDAA O=C(Cc1ccccc1Cl)NCCCn1cc(C(=O)N2CCSCC2)nn1 12002524 YCQJLELALUTIHT-UHFFFAOYSA-N 407.927 1.870 0 50 HDAA COc1ccccc1CN1CCC[C@@H](CN(CCN(C)C)C(=O)C2(C(N)=O)CC2)C1 12299344 KCTYRIQXLCPHIC-GOSISDBHSA-N 416.566 1.563 0 50 HDAA CCOc1ccccc1CN1CCNC(=O)[C@H]1CC(=O)N(C)Cc1nonc1C 12755739 ZTKILRWVXUUZAJ-QGZVFWFLSA-N 401.467 1.126 0 50 HDAA COc1ccc(CNCCNC(C)=O)cc1OC[C@H](O)CN1CCCCCCC1 15074833 GPDWLJTYVBFMGX-HXUWFJFHSA-N 407.555 1.927 0 50 HDAA O=C1NCCN(Cc2ccccc2F)[C@H]1CC(=O)N1CCN(C2CCCC2)CC1 15075733 GWTGJKRHQYNKPM-FQEVSTJZSA-N 402.514 1.603 0 50 HDAA Cc1cccc(SC2CCN(C(=O)Cn3nnnc3CN3CCOCC3)CC2)c1 20539477 PEMKKDZTUDYPSC-UHFFFAOYSA-N 416.551 1.597 0 50 HDAA Cc1ccn(-c2cc(N3CCN(C(=O)CNC(=O)c4ccccc4)CC3)ncn2)n1 72437394 GVXRJEWHJFMBRX-UHFFFAOYSA-N 405.462 1.049 0 50 HDAA Cc1cn(CC(=O)N[C@H]2CCCCN(Cc3ccccc3Cl)C2)c(=O)[nH]c1=O 82097860 KUDHMCBDUDUPKL-INIZCTEOSA-N 404.898 1.669 0 50 HDAA COC(=O)c1cc(S(=O)(=O)N2CCOC[C@@H]2c2nc(C)no2)cc(F)c1F 170594034 AIVDQZGSAUVWDH-GFCCVEGCSA-N 403.363 1.205 0 50 HDAA CC(=O)N[C@@H]1[C@H](OCc2ccccc2)[C@@H](O)[C@@H](CO)O[C@H]1OCc1ccccc1 216273528 IYODMICTBRMKGJ-LXHROKJGSA-N 401.459 1.371 0 50 HDAA in-vitro Cc1cccnc1CN1CCN(C(=O)CC[C@@]2(CCC(=O)O)CCC(=O)N2)CC1 218293112 QJYFAANVJVSXBL-OAQYLSRUSA-N 402.495 1.328 0 50 HDAA O=C(C[C@H]1NC(=O)N(CCc2ccccc2)C1=O)NCCc1nc2ccccc2[nH]1 223214017 FCDWBJUAYCAZHW-GOSISDBHSA-N 405.458 1.775 0 50 HDAA O=C(CCN1C(=O)NC2(CCCC2)C1=O)N[C@H]1CC[C@@H](C(=O)N2CCCCC2)C1 225497078 XATRTPWKYYFQGC-CVEARBPZSA-N 404.511 1.539 0 50 HDAA COC(=O)c1cn(CCc2nc(-c3ccc(N(C)C)cc3)no2)cc2c(=O)[nH]nc1-2 263588293 RIQODFJBPXETEP-UHFFFAOYSA-N 408.418 1.822 0 50 HDAA CC1(C)[C@@H](NC(=O)CCN2CCN(c3ccccn3)CC2)C[C@@H]1N1CCOCC1 1452709979 BTQHDEHPVZYVAJ-OALUTQOASA-N 401.555 1.209 0 50 HDAA COc1ccc(CC(=O)O)cc1S(=O)(=O)N1CCCN(C(=O)c2ccco2)CC1 1506422014 ZBZKWBUOZBWJOO-UHFFFAOYSA-N 422.459 1.452 0 50 HDAA Nc1ncc2c(n1)[C@@]1(CCCN(S(=O)(=O)CCOc3ccccc3F)C1)CC2 1704309964 UHMTZESPVHAPPJ-IBGZPJMESA-N 406.483 1.887 0 50 HDAA COCC1CCN(S(=O)(=O)N[C@H]2COC[C@H]2Cc2ccnc3ccccc23)CC1 1704358414 KVNDSGXXTSANQV-NQIIRXRSSA-N 419.547 1.985 0 50 HDAA Cc1nc(C(=O)N[C@@H]2CN3CCCC[C@@]3(C(=O)NCc3cnn(C)c3)C2)cs1 1857684617 VOPSWCIYSUWHKU-KXBFYZLASA-N 402.524 1.228 0 50 HDAA CCN1CC[C@@H]2C[C@@H](N3CCOCC3)CC[C@@]2(C(=O)NCc2cccnc2N)C1 1857689487 QWZXEWFSEUHRTE-XQBPLPMBSA-N 401.555 1.493 0 50 HDAA O=C1C[C@H]2[C@H](CCN2C(=O)COc2ccc(F)cc2)N1CCn1cc(Cl)cn1 1857702940 JJVKBSVFGJRVTJ-IRXDYDNUSA-N 406.845 1.956 0 50 HDAA Cc1cc(C[C@@H]2CN(C(=O)c3ccc4nnc(-c5cccn5C)n4c3)C[C@H]2O)on1 1857719510 NRMTUXQDMWIIQF-CRAIPNDOSA-N 406.446 1.707 0 50 HDAA O=C(NC[C@H]1CCCCN1)c1sccc1S(=O)(=O)N1CCn2ccnc2C1 1875305138 IFWLOAATYORAJV-CYBMUJFWSA-N 409.537 1.021 0 50 HDAA COCCN(C(=O)[C@H](O)CN[C@H]1CCOC1)[C@H](C)c1cccc(C(F)(F)F)c1 1875308367 CBSHLTBHNRYYGV-XOKHGSTOSA-N 404.429 1.981 0 50 HDAA COc1ccc2cc1OCC(=O)NCc1ccc(cc1)O[C@@H]1CCNC[C@@H]1NC2=O 2356161885 NWGZFBOUYZVLSS-ZWKOTPCHSA-N 411.458 1.243 0 50 HDAA CCOC(=O)CSc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1Cl 625459 DGBZJGCELCIWEY-UHFFFAOYSA-N 422.894 1.791 0 50 HDAA CS(=O)(=O)N(CCc1ccccc1)CC(=O)N1CCN(c2ccccc2F)CC1 687715 DWZCIXMZDXFZQE-UHFFFAOYSA-N 419.522 1.979 0 50 HDAA Cn1ccc(C(=O)Nc2ccc(NC(=O)[C@H]3CCCN(S(C)(=O)=O)C3)cc2)n1 2806979 GYTOXPZATWDYCC-ZDUSSCGKSA-N 405.480 1.283 0 50 HDAA COc1cc(CNCC2CCN(C)CC2)ccc1OC[C@@H](O)CN1CCSCC1 11661788 YTXPIWVANMBZFR-FQEVSTJZSA-N 423.623 1.915 0 50 HDAA O=C(C[C@H]1C(=O)NCCN1Cc1ccc2ccccc2c1)NCCCN1CCOCC1 15063562 XDIJVBYALNBAQF-QFIPXVFZSA-N 424.545 1.369 0 50 HDAA CC(C)CN(C(=O)Cn1nc(-c2ccccc2F)ccc1=O)[C@@H]1CCS(=O)(=O)C1 44921107 FTYHMMBSBHGLCU-OAHLLOKOSA-N 421.494 1.721 0 50 HDAA CN(Cc1ccco1)C(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(c4ccc(CCO)cc4)C(=O)[C@@H]13)O2 77471588 XFSZADIVTTTXTJ-GJPOJAMWSA-N 408.454 1.759 0 50 HDAA CC1(C)O[C@@H]2O[C@H](C(=O)Nc3ccc4c(c3)OCCO4)[C@@H]3OC(C)(C)O[C@@H]3[C@H]2O1 239378236 OLTGMPCSJLZDJI-JFBPSJKJSA-N 407.419 1.793 0 50 HDAA biogenic COCCn1cc([C@@H]2[C@H](C(=O)NC[C@@H](O)C(C)(C)C)CC(=O)N2C(C)(C)C)cn1 252551373 UDHHHJHKRRWMRL-JFIYKMOQSA-N 408.543 1.741 0 50 HDAA Cn1ccnc1[C@@H]1CN(C(=O)OC(C)(C)C)CCN1CC1CCS(=O)(=O)CC1 253416667 HFACVPVMFXIWEI-INIZCTEOSA-N 412.556 1.839 0 50 HDAA Cc1nn(-c2ccccc2F)c(C)c1[C@@H]1COCCN1S(=O)(=O)c1cnnn1C 480870395 YMDHTZHXWSHZMH-INIZCTEOSA-N 420.470 1.519 0 50 HDAA CCOC(=O)c1ccc(NC(=S)N2CCC[C@H](n3cnc(C(N)=O)n3)C2)cc1 780189162 UPNVCGXELMNROR-AWEZNQCLSA-N 402.480 1.588 0 50 HDAA O=C(C[C@H]1NC(=O)N(CCc2ccccc2)C1=O)NC[C@H]1CCCN2CCCC[C@H]12 888088238 SYKNUZNEAKWIRA-VAMGGRTRSA-N 412.534 1.920 0 50 HDAA COCCN1C[C@@H](C(=O)NC23C[C@@H]4C[C@H](C2)CC(n2cncn2)(C4)C3)CCC1=O 952985385 BFRYYDRNOFRWGB-WGWNNVQWSA-N 401.511 1.327 0 50 HDAA CN1CCc2[nH]nc(C(=O)N3CCC4(CC3)OCCc3sc(C(=O)O)cc34)c2C1 1857688355 FHSCFULENTVTOK-UHFFFAOYSA-N 416.503 1.862 0 50 HDAA NC1(C(=O)N2CCC[C@@]3(CCc4c(O)nc(N5CCOCC5)nc43)C2)CCCC1 1857701223 HWKPDNZPBZQVBR-HXUWFJFHSA-N 401.511 1.097 0 50 HDAA COC(=O)[C@H]1CCN(C(=O)c2cn3c(n2)CCN(C(=O)CC2CCCC2)CC3)C1 1875248989 CKFDVTFMADUKSC-INIZCTEOSA-N 402.495 1.483 0 50 HDAA COc1ccc([C@H](CC(=O)NCCCN(C)C)c2c(O)nc3ccccn3c2=O)cc1 2049512056 XSLGVZDXCXOXDG-SFHVURJKSA-N 424.501 1.999 0 50 HDAA Cc1c(C(=O)N[C@H]2CCCN(C(=O)C(C)(C)OC(C)C)C2)cnn1CC(C)(C)O 2325829519 LNVQDUMRMRFZTK-INIZCTEOSA-N 408.543 1.887 0 50 HDAA CC(C)NC(=O)[C@@H]1[C@H]2CN(Cc3nn[nH]c3-c3ccccc3)C[C@@H]2[C@H](O)[C@@H](O)[C@@H]1C 2356146366 CHVUWZLLPCCQQM-QPPKDJHYSA-N 413.522 1.032 0 50 HDAA COCCN1CCC[C@@]2(CCCN2Cc2cc(=O)n3cc(Cl)ccc3n2)C1=O 2356159385 YFNKACCHHGGVJI-HXUWFJFHSA-N 404.898 1.951 0 50 HDAA Cn1c(=O)c2c(nc(NC[C@@H](O)c3ccccc3)n2Cc2ccc(F)cc2)n(C)c1=O 1127304 CBYZPYLGXCGIHJ-QGZVFWFLSA-N 423.448 1.767 0 50 HDAA COc1cc([C@@H]2NC(=O)N[C@@](O)(C(F)(F)F)[C@@H]2C(=O)c2cccnc2)ccc1O 4269952 KYUZLWFKQNZOHE-ZQIUZPCESA-N 411.336 1.900 0 50 HDAA CCC(=O)N1CCc2cc(S(=O)(=O)N[C@@H](Cc3ccccc3)C(=O)O)ccc21 6948291 VKDQMSHHBMZKQV-KRWDZBQOSA-N 402.472 1.960 0 50 HDAA CCN(CCN1CCCC1)C(=O)C[C@@H]1C(=O)NCCN1Cc1ccc(OC)c(C)c1 11719639 WHCHCIPGQITYAK-HXUWFJFHSA-N 416.566 1.638 0 50 HDAA COC(=O)C1CCN(C[C@@H](O)COc2ccc(CNC3CCN(C)CC3)cc2)CC1 12430169 GYMXGTHXGPBSFD-OAQYLSRUSA-N 419.566 1.495 0 50 HDAA CCCS(=O)(=O)c1ncc(CN(C)CCN2CCOCC2)n1C[C@@H]1CCCO1 19222655 MEZGSCXFKRMFSJ-SFHVURJKSA-N 414.572 1.010 0 50 HDAA CN(Cc1ccccc1)C(=O)c1nn(C)c2c1C[C@H](NCCN1CCOCC1)CC2 23145733 VYXYPEMRRVOUFE-LJQANCHMSA-N 411.550 1.471 0 50 HDAA COC(=O)c1c(NC(=O)CN2CCN(C(=O)[C@@H]3CCCO3)CC2)sc2c1CCC2 35802754 SNAVJJZYVBAELW-AWEZNQCLSA-N 421.519 1.285 0 50 HDAA COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCCN3CCCC3)C2)cc1 61548247 NGDVNKKUTYVZCG-QGZVFWFLSA-N 409.552 1.698 0 50 HDAA CCS(=O)(=O)N1CCC(C(=O)NCc2ccc(OC3CCN(C)CC3)cc2)CC1 65362026 RYJGPDQXOLUHHK-UHFFFAOYSA-N 423.579 1.838 0 50 HDAA CN1CCN(S(=O)(=O)c2cc(C(=O)O)cc(-c3cccc4ccnn34)c2)CC1 71760176 ZNLJYTNKRVACNR-UHFFFAOYSA-N 400.460 1.636 0 50 HDAA Cc1nnsc1CN(C)C(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(Cc4cccnc4)C(=O)[C@H]13)O2 77406892 SWZPZXDZUXJMLI-FORWCCJISA-N 411.487 1.182 0 50 HDAA CC(=O)N(CCc1ccc(S(N)(=O)=O)cc1)[C@@H]1CC(=O)N(c2ccccc2)C1=O 97759506 INOLCOKGAJXQGW-GOSISDBHSA-N 415.471 1.057 0 50 HDAA COc1ccc([C@H]2C(C(N)=O)=C(C)N=c3s/c(=C\c4ccccc4)c(=O)n32)cc1 390834898 OPHVOFKUGLWEBJ-GTVARFKMSA-N 405.479 1.729 0 50 HDAA Cc1sc2nc(CCNC(=O)c3cn(C[C@H]4CCCNC4)nn3)nc(O)c2c1C 670454937 VDMMVVIVIFOONH-ZDUSSCGKSA-N 415.523 1.577 0 50 HDAA O=C(Cn1[nH]cc2c(=O)ncnc1-2)N(CCN1CCCC1)Cc1ccc(Cl)cc1 732086709 GWKRFSDFNFUNNP-UHFFFAOYSA-N 414.897 1.849 0 50 HDAA CNC(=O)c1ccc(S(=O)(=O)N[C@H]2CC(=O)N(c3cccc(Cl)c3)C2)cc1 1506400119 IEGMCMBHTFCVKC-AWEZNQCLSA-N 407.879 1.783 0 50 HDAA O=C(NCC[C@H]1C[C@@H](O)C1)[C@H]1CC(=O)N(c2nnc(Cc3ccccc3)s2)C1 1857722902 OTDLBMQJNJXROZ-HRCADAONSA-N 400.504 1.759 0 50 HDAA CN(C)CCOCCC(=O)N[C@@H]1C[C@@H](N=c2[nH]c(Cl)nc3[nH]ccc23)C1(C)C 1875325962 IHJOOPBFMMERDD-ZIAGYGMSSA-N 408.934 1.697 0 50 HDAA CCOC(=O)[C@@H]1[C@@H](c2cccc(OC)c2OC)NC(=S)N[C@@]1(O)C(F)(F)F 11859268 SDILKHRCSNPCIQ-RWSFTLGLSA-N 408.398 1.653 0 50 HDAA CCOC(=O)C[C@@H]1COCCN1C(=O)c1ccc(OC2CCN(C)CC2)c(OC)c1 12027447 JNHPQGJZRVPEMW-QGZVFWFLSA-N 420.506 1.962 0 50 HDAA O=C1CN(C(=O)[C@H]2CCOC2)C[C@H](OCc2ccccc2)CN1CC1CCOCC1 14748948 DEOCHGPWOOIRHI-LEWJYISDSA-N 416.518 1.706 0 50 HDAA Cc1cc(C)cc(CN2CCc3nnc(CCNC(=O)[C@@H]4CCCN(C)C4)n3CC2)c1 14881350 NSABDKKJEOAORU-OAQYLSRUSA-N 424.593 1.954 0 50 HDAA Cc1cccc(CC(=O)N2CCc3nnc(CNC(=O)c4ccncc4)n3CC2)c1 14982840 HLZMGLWAILDUJK-UHFFFAOYSA-N 404.474 1.539 0 50 HDAA COCc1cc(CNC(=O)[C@H]2CCC(=O)N(CCc3ccc(OC)cc3)C2)n[nH]1 15068181 QWGZNUHJFRGLSZ-INIZCTEOSA-N 400.479 1.662 0 50 HDAA Cc1ccc(OCCN(C)C(=O)CCCn2nnnc2CN2CCOCC2)cc1 19791136 JZPQETBBECLQAA-UHFFFAOYSA-N 402.499 1.131 0 50 HDAA O=C(CCCn1nnnc1CN1CCOCC1)N[C@@H](c1ccco1)C(F)(F)F 23340088 OMPZZRGULCWGFE-HNNXBMFYSA-N 402.377 1.298 0 50 HDAA O=C(N[C@@H](O)C(Br)(Br)Br)c1cccnc1 71769940 QNOWWNRIKDQEAY-ZETCQYMHSA-N 402.868 1.968 0 50 HDAA CC(C)[C@H](CNC(=O)OC(C)(C)C)C(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 170618071 CSVHQSGDGWNCMN-CVEARBPZSA-N 417.572 1.115 0 50 HDAA CCCCNC(=O)CNC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1 253387450 BKFRDBSNXRAPIB-QAQDUYKDSA-N 409.552 1.804 0 50 HDAA CC(=O)N[C@@H]1[C@H](OCc2ccccc2)[C@@H](O)[C@H](CO)O[C@H]1OCc1ccccc1 257356554 IYODMICTBRMKGJ-LILSUDLASA-N 401.459 1.371 0 50 HDAA in-vitro COc1ccc([C@@H](C(=O)O)N2CCC(C(N)=O)(N3CCCCC3)CC2)cc1OC 1506421371 OXSMJIQYDODZSF-SFHVURJKSA-N 405.495 1.635 0 50 HDAA Cc1ccc(CN2C[C@@H]3CN(C(=O)C4=NNC(=O)CC4)C[C@@]3(CCC(=O)O)C2)s1 1772808875 DGPBJCYTUVJFRF-JLTOFOAXSA-N 418.519 1.448 0 50 HDAA COCCN(C)C(=O)[C@@H]1C[C@@H]2CN(c3ncc(F)cn3)CC(=O)N2[C@@H]1CC(C)C 1857689287 MJZWTMLGJNBJLH-BRWVUGGUSA-N 407.490 1.172 0 50 HDAA COc1ccc(-c2nccn2C[C@@H]2CN(C)CCO2)cc1OCCN1CCOCC1 1857698450 SCVWWHYXIVKCGU-IBGZPJMESA-N 416.522 1.600 0 50 HDAA Cc1nc2c(c(=NCc3nc[nH]n3)[nH]1)CC[C@]21CCCN(C(=O)c2cncc(F)c2)C1 1875241363 VJCBLACSFSHHBS-NRFANRHFSA-N 422.468 1.591 0 50 HDAA Cn1c(CNC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2C(=O)c2ccccc2)cc(=O)n(C)c1=O 1875387246 XBZUGYOUXDSXCH-WDSOQIARSA-N 424.501 1.174 0 50 HDAA Cc1cnnc(O)c1C(=O)N1CC2(C1)CN(C(=O)[C@H]1C[C@H]1F)Cc1ccccc1O2 2325872594 FNKAVTZALMWMFT-LSDHHAIUSA-N 412.421 1.464 0 50 HDAA CC1=NC(=O)C2(CCN(C(=O)c3cc4c(s3)CCOC43CCNCC3)CC2)N1 2356134257 GNOHHSOKOFLKNT-UHFFFAOYSA-N 402.520 1.423 0 50 HDAA COc1ccc(CC(=O)NC[C@H]2CCCN(C(=O)CN3CCCCC3=O)C2)cc1 12572083 OZJLTUIXPXHZDD-GOSISDBHSA-N 401.507 1.605 0 50 HDAA O=C(C[C@@H]1C(=O)NCCN1Cc1ccc2ccccc2c1)NCCCN1CCOCC1 15063563 XDIJVBYALNBAQF-JOCHJYFZSA-N 424.545 1.369 0 50 HDAA Cc1cc(C)nc(CCNC(=O)C[C@@H]2C(=O)NCCN2CCCc2ccccc2)n1 15072870 YCPQFZBDSQDFJT-HXUWFJFHSA-N 409.534 1.575 0 50 HDAA CN(C)S(=O)(=O)c1ccc(N2C[C@H](C(=O)NCc3ccccn3)CC2=O)cc1 36360417 KADUEJSWJLWCCJ-CQSZACIVSA-N 402.476 1.001 0 50 HDAA Cc1cccc(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N(C)Cc3nnc(C)o3)[C@H]4C2=O)c1 77285429 IBVCOACSJJTBTF-FUOQNJDISA-N 408.458 1.627 0 50 HDAA COC(=O)N[C@@H](C)C(=O)N1CCC2(CCC(=O)N(Cc3cnc(C)cn3)C2)CC1 95376485 KQFSFIIVXSXXAJ-HNNXBMFYSA-N 403.483 1.261 0 50 HDAA O=C(C[C@@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O)NCCc1ccccn1 170625200 AIOZREZIKFWIRW-IBGZPJMESA-N 405.458 1.775 0 50 HDAA biogenic O=C(CC[C@H]1NC(=O)c2ccccc2N=C1O)NCc1nc(-c2cccnc2)no1 253535738 CIQQLRZKZVHRDE-OAHLLOKOSA-N 406.402 1.928 0 50 HDAA COCCN(C[C@@H]1CCCN2CCCC[C@H]12)C(=O)Cn1nnc2ccccc2c1=O 263586874 ZFFIASVJEVLQAZ-FXAWDEMLSA-N 413.522 1.531 0 50 HDAA biogenic CSc1ncc(CNC(=O)C[C@@H]2C(=O)NCCN2Cc2ccccc2C)n1C 426581330 SXLMHLYSFRMOKJ-QGZVFWFLSA-N 401.536 1.457 0 50 HDAA Cc1nc(-c2cccc(NC(=O)N3CCC[C@@H](N4CCCS4(=O)=O)C3)c2)n[nH]1 433219505 HYSSYGGCCURRJC-MRXNPFEDSA-N 404.496 1.812 0 50 HDAA CCNC(=O)c1ccc(NC(=O)C(=O)N2CCN(c3cccc(O)c3)CC2)c(C)c1 491088599 XQMCWNBVDOFCDE-UHFFFAOYSA-N 410.474 1.738 0 50 HDAA CC(=O)N[C@@]1(C)CC2(CCN(CCn3c(=O)oc4ccccc43)CC2)OC[C@@H]1O 1772704139 BVZKGZHLILQKTO-ICSRJNTNSA-N 403.479 1.105 0 50 HDAA CN(C)c1ncc2c(n1)[C@@]1(CCCN(C(=O)c3cnc4ccccn4c3=O)C1)CC2 2356134480 OWJFLPJIZOTTFR-QFIPXVFZSA-N 404.474 1.671 0 50 HDAA COC(=O)CNC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(F)cc1 2812219 JRMGWQYTTCTBII-KRWDZBQOSA-N 406.435 1.231 0 50 HDAA O=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(Br)cc1)NCCO 2993887 TUSCXMDSENRPKY-UHFFFAOYSA-N 419.341 1.881 0 50 HDAA CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccccn3)CC2)N[C@H]1c1ccccc1 9049225 PPHWWJCJQDCCCJ-MOPGFXCFSA-N 407.474 1.610 0 50 HDAA O=C(Cn1cncn1)N1CCC(Oc2cccc(CN3CCSCC3)c2)CC1 11784369 BPSGZZRDZSCJCZ-UHFFFAOYSA-N 401.536 1.897 0 50 HDAA CN1CCC(N(C)C(=O)CC[C@H]2CCCN(C(=O)CN3CCCCC3=O)C2)CC1 15067299 DRYMYFLRBMIFDA-GOSISDBHSA-N 406.571 1.570 0 50 HDAA COCCNC(=O)c1cn(C2CCN(C(=O)Cc3ccccc3Cl)CC2)nn1 19145444 AXBCBLSMFNFOOX-UHFFFAOYSA-N 405.886 1.714 0 50 HDAA CCN1CCN([C@H]2CC(=O)N(c3ccc(I)cc3)C2=O)CC1 19528122 BUJHBKSBRRCSBU-AWEZNQCLSA-N 413.259 1.561 0 50 HDAA O=C(CCn1nnnc1CN1CCOCC1)N1CCCC[C@@H]1c1ccc(F)cc1 23367540 IIEYUAWFPHWAPS-GOSISDBHSA-N 402.474 1.788 0 50 HDAA CCOc1ccccc1CN1CCNC(=O)[C@@H]1CC(=O)NCCc1cscn1 23399651 CFZOUXOYTZDPIK-KRWDZBQOSA-N 402.520 1.591 0 50 HDAA CC(C)=CCn1c(-c2cc(C)oc2C)cn2cc(C(=O)N[C@@H](C)C(N)=O)nc2c1=O 72435978 LBXGEIFKKGVRQR-ZDUSSCGKSA-N 411.462 1.943 0 50 HDAA C[C@H](CN1CC2(CCN(C(=O)CN3C(=O)CNC3=O)CC2)OC1=O)c1ccccc1 72436265 GTLFUZJMZOBBER-OAHLLOKOSA-N 414.462 1.155 0 50 HDAA CN(Cc1ccon1)C(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(CCOc4ccccc4)C(=O)[C@@H]13)O2 77377152 KDKXVDSCCIEOKD-VWNVYAMZSA-N 409.442 1.494 0 50 HDAA CN(C)[C@H]1CCN(CCCN2CC3(CCN(C(=O)c4ccccn4)CC3)OC2=O)C1 77406918 SMYXMOUSSFOLKC-SFHVURJKSA-N 415.538 1.535 0 50 HDAA CN(CCc1cnn(C)c1)C(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(Cc4ccc(F)cc4)C(=O)[C@H]13)O2 77406948 OCACXMJZMSKDIN-SRYPRDQNSA-N 424.476 1.542 0 50 HDAA CC(C)(N)C(=O)N1CCC(N2CCC[C@H](C(=O)NCCc3ccccc3)C2)CC1 82098543 AJLIWWZEWDIVFB-IBGZPJMESA-N 400.567 1.786 0 50 HDAA CCCN1CCN(C(=O)Cc2csc(SCC)n2)[C@H]2CS(=O)(=O)C[C@H]21 95529881 BWRLZCISZSTPTN-KGLIPLIRSA-N 403.595 1.517 0 50 HDAA O=C1C[C@@H](C(=O)N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)CN1CCc1ccccc1 253400723 FDGVEAPHOZBRBT-HSALFYBXSA-N 405.498 1.885 0 50 HDAA biogenic Cc1cccc(=O)n1CCC(=O)N[C@@H]1C2CN3CCN(C2)CC1(c1ccccc1)C3 670468740 SOJQVTDGYNCCML-PAHOBDAQSA-N 406.530 1.231 0 50 HDAA Cc1cc(COc2ccccc2)oc1C(=O)N1C[C@@H](O)[C@H](CS(=O)(=O)N(C)C)C1 1529144088 ISYDXDUZKPEANI-MAUKXSAKSA-N 422.503 1.491 0 50 HDAA O=C1CC(CC(=O)N2CCC[C@H](CCNC(=O)c3n[nH]c4c3CCCC4)CC2)=NN1 1875322410 RSIONCLLEZIOOF-CQSZACIVSA-N 414.510 1.303 0 50 HDAA O=C1C[C@@H]2CCCCN2CCCN(C(=O)Cn2nc3ccccc3n2)CCCCN1 2100533178 DKDLURJYAUSEIT-SFHVURJKSA-N 412.538 1.805 0 50 HDAA CCN1CCC[C@@H](C(=O)N2CCCCC[C@@H](NC(=O)c3cncc(C(N)=O)c3)C2)C1 2325864609 TWAPUHPOFVOUSR-VQIMIIECSA-N 415.538 1.413 0 50 HDAA NC(=O)NCC(=O)N1C[C@@H]2C[C@H](C1)[C@@H]1CCCC(=O)N1[C@H]2Cc1cccc(F)c1 2356135697 PCLRHKLEHOQSIE-FZCLSBEQSA-N 402.470 1.265 0 50 HDAA CCN(C[C@@H]1CCCO1)C(=O)C[C@]1(c2ccccc2F)CC(=O)N(CCOC)C1=O 11872333 ODZHTJKDZUCZFC-KSFYIVLOSA-N 420.481 1.886 0 50 HDAA COCCN1C(=O)C[C@](CC(=O)NCCc2ccccn2)(c2ccccc2C)C1=O 12247217 RHCPTIWOOQTNMZ-HSZRJFAPSA-N 409.486 1.782 0 50 HDAA COc1cc(CNCCc2cccnc2)ccc1OC[C@@H](O)CN1CCOCC1 19221879 DCIGDBPGJLTFMK-FQEVSTJZSA-N 401.507 1.494 0 50 HDAA CC(C)N(Cc1ccc(OC[C@H](O)CN2CCN(C)CC2)cc1)Cc1nccn1C 20992534 MQBHDQOGLKQHSF-OAQYLSRUSA-N 415.582 1.818 0 50 HDAA Cc1ccnc(OCC(=O)N2CCN(c3ccc(N4CCC(C)CC4)nn3)CC2)n1 72436916 XSMGYAMWYUUMRQ-UHFFFAOYSA-N 411.510 1.539 0 50 HDAA COc1ccc(CCN2C(=O)N[C@H](CCC(=O)N[C@H]3NC(C)=C(C)S3)C2=O)cc1 223238203 NAHPGZYJUQKDEW-VQIMIIECSA-N 418.519 1.926 0 50 HDAA O=C(N[C@H]1CCS(=O)(=O)C1)[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1 245257245 XSIWBQABSBVJPK-JYJNAYRXSA-N 414.549 1.075 0 50 HDAA CCCCCCn1cc(S(=O)(=O)N2CC[C@H](C)C[C@H]2[C@H](C)O)c(O)nc1=O 253535987 UPPDUKZQWHGVIQ-KKUMJFAQSA-N 401.529 1.699 0 50 HDAA O=C(Nc1ccc(S(=O)(=O)N2C[C@@H]3C[C@H]4C[C@H]3[C@@H]2[C@H]4O)cc1)c1cnccn1 408521311 PDXMXYNDZQBQFG-XZNUQZSUSA-N 400.460 1.119 0 50 HDAA Cc1ncc(CO)c(CN2CCC(CNC(=O)CN3CCCC[C@@H]3C)CC2)c1O 828832759 IAZVSVZGHBLSML-INIZCTEOSA-N 404.555 1.791 0 50 HDAA Cc1cc(C)n(Cc2ccc(C(=O)NC[C@@H]3CCCN(S(C)(=O)=O)C3)cc2)n1 952972548 DGVXLSCKQWOSMG-SFHVURJKSA-N 404.536 1.950 0 50 HDAA Cc1noc(C)c1CN1C[C@H]2CN(S(=O)(=O)c3cccc(F)c3)C[C@]2(CO)C1 1772813746 RPPQEMLKSRVHQB-KXBFYZLASA-N 409.483 1.546 0 50 HDAA CC(C)NC(=O)N1C[C@H]2[C@H](NC(=O)c3cnc4ccccc4c3)CS(=O)(=O)[C@H]2C1 1857690766 RXUKCZAUTIUMEL-JQHSSLGASA-N 416.503 1.180 0 50 HDAA CCOc1ccc(CN2CCNC(=O)[C@H]2CC(=O)N(C)Cc2nccs2)cc1 11934326 NOZSSDKBMWIWCL-QGZVFWFLSA-N 402.520 1.891 0 50 HDAA O=C(c1nc2ccccn2c1CNCCCn1nnc2ccccc21)N1CCOCC1 13596808 SMGRMUXDBDXERJ-UHFFFAOYSA-N 419.489 1.731 0 50 HDAA COC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CC(=O)c2sc(NC(=O)c3ccco3)nc2C1 15002011 WBIDGRGYJQXZDH-JQWIXIFHSA-N 417.443 1.898 0 50 HDAA O=C(C1CCOCC1)N1CCC[C@H](N2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 19223303 OESNRUPOBZTCGP-FQEVSTJZSA-N 415.534 1.951 0 50 HDAA Cn1c(CN2CCOCC2)nnc1SCC(=O)Nc1ccccc1OC(F)F 19799665 FDCMARBAHQYCIB-UHFFFAOYSA-N 413.450 1.980 0 50 HDAA CCc1c(C)sc(NC(=O)CN2CCN(c3ncccn3)CC2)c1C(=O)OC 35802354 AYTNNSXEDXRCAD-UHFFFAOYSA-N 403.508 1.956 0 50 HDAA COc1cccc(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N(C)Cc3ncc[nH]3)[C@H]4C2=O)c1 77505704 IWRYJGMKNBNXMC-ZBPHCFQXSA-N 408.458 1.359 0 50 HDAA NC(=O)C1(N2CCCCC2)CCN([C@@H]2CC(=O)N(c3cccc(Cl)c3)C2=O)CC1 95393635 MTXMMRNMKNDOQH-QGZVFWFLSA-N 418.925 1.778 0 50 HDAA COc1cc(CN(C)Cc2cccnc2)ccc1OC[C@@H](O)CN1CCOCC1 95502373 JXFJHRJUIKDGEF-FQEVSTJZSA-N 401.507 1.794 0 50 HDAA CC(C)(C)OC(=O)N1CC(n2nc(I)c3c(N)ncnc32)C1 144932868 FJVXFVCBMHGHCE-UHFFFAOYSA-N 416.223 1.805 0 50 HDAA CC1=C(C(=O)Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)Cn2nnnc2N1C 225503719 LTULKOPBQNMCBT-VXGBXAGGSA-N 401.446 1.788 0 50 HDAA O=C(OCCN1C(=O)c2ccccc2C1=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCOCC1 253418003 HYHXMSYHBNRYSJ-ZWKOTPCHSA-N 412.442 1.267 0 50 HDAA COc1ccc(N2C(=O)N[C@H](CC(=O)NC[C@@H]3CCCN4CCCC[C@H]34)C2=O)cc1 409415078 SPBQKENQJALNBD-KFKAGJAMSA-N 414.506 1.891 0 50 HDAA Cc1cccc(CNC(=O)Cn2nnnc2[C@H](c2ccccc2)N2CCOCC2)n1 426661907 BIIJADAQPXQATC-FQEVSTJZSA-N 407.478 1.115 0 50 HDAA O=C(c1cn(-c2cccc(C(F)(F)F)c2)nn1)N1C[C@H]2COCC[C@@]2(C(=O)O)C1 478938954 BSXMAFQHHJSDNX-YVEFUNNKSA-N 410.352 1.849 0 50 HDAA CCN1C(=O)[C@@H]2CN(C(=O)c3c(C)nc4ccc(Br)cn34)CCN2C1=O 684455614 WUSRACVUMOHURO-LBPRGKRZSA-N 420.267 1.514 0 50 HDAA Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(CC(C)C)nc(O)n3)CC2)cc1 952974454 WPOKHVJUKFQWFK-UHFFFAOYSA-N 418.519 1.836 0 50 HDAA CCn1ncc(C(=O)NC[C@@H]2CN(CC3CCN(CC4CC4)CC3)C(=O)CO2)c1C 1857672610 HVDKSKNXMQJTAC-LJQANCHMSA-N 417.554 1.291 0 50 HDAA O=C(Cc1c(F)cccc1Cl)N1CCO[C@]2(CCN(C(=O)c3cnccn3)C2)C1 1857693012 DRDBVRQJEUYFPR-HXUWFJFHSA-N 418.856 1.955 0 50 HDAA O=C1CC[C@H](N2Cc3ccc(-n4cc(-c5cccnc5F)nn4)cc3C2=O)C(=O)N1 1875355342 HJQZHCVRMUSDCJ-INIZCTEOSA-N 406.377 1.229 0 50 HDAA CN(C)C(=O)c1ccc2c(c1)N(C)[C@H](CC(=O)N(C)[C@H]1C[C@H]3C[C@@H](O)C[C@H]3C1)CO2 2100539828 ZVXDUGGOIPSPDZ-ZRSRNVLSSA-N 415.534 1.984 0 50 HDAA COc1cc(C(=O)N/C(=C/c2ccccc2)C(=O)NCC(=O)O)cc(OC)c1OC 2947041 ZBQCPSWLXNZKPR-OQLLNIDSSA-N 414.414 1.684 0 50 HDAA biogenic CS(=O)(=O)N1CCN(c2ccc(NC(=O)c3ccc4c(c3)OCCO4)cc2)CC1 4412920 UPOVVNRDBDRMME-UHFFFAOYSA-N 417.487 1.792 0 50 HDAA Cc1ccc(NC(=O)CSc2nnc(NC(=O)CN3CCOCC3)s2)cc1 19782186 GLUHNSIYAMZXSN-UHFFFAOYSA-N 407.521 1.848 0 50 HDAA Cn1c(CNC(=O)[C@H]2CCC(=O)N(CCCN3CCOCC3)C2)nc2ccccc21 19800304 XOLTVSJTQLSZQZ-KRWDZBQOSA-N 413.522 1.150 0 50 HDAA COCC(=O)N1CCC(Oc2ccc(C(=O)NC[C@@H]3CCCN(C)C3)cc2)CC1 20863258 DYVLHQFAZUZEES-KRWDZBQOSA-N 403.523 1.774 0 50 HDAA CCOc1ccc(S(=O)(=O)N2CCN(c3cc(-n4ccnc4)ncn3)CC2)cc1 67604092 FILPJNOCHWMMPJ-UHFFFAOYSA-N 414.491 1.572 0 50 HDAA CS(=O)(=O)N1CCC(Oc2ccc(C(=O)N3CCOCC3)cc2Cl)CC1 95497806 AHUSHOYFJOQGLQ-UHFFFAOYSA-N 402.900 1.615 0 50 HDAA CC(=O)O[C@@H]1O[C@H](C)[C@H](OCOCC[Si](C)(C)C)[C@@H](OC(C)=O)[C@H]1OC(C)=O 257359213 ZALSECPGTHUQES-BDMDAPPZSA-N 420.531 1.855 0 50 HDAA COCCn1ccc2c(C(=O)N=c3cc(C)[nH]n3[C@@H]3CCS(=O)(=O)C3)cccc21 334159258 JAMVARDIHNHLKT-OAHLLOKOSA-N 416.503 1.826 0 50 HDAA CCc1ncc(CN2CC[C@H](N3CCN(CCc4ccccc4)CC3)[C@@H](O)C2)cn1 1073310874 MAWJZAMIAUNWDQ-GOTSBHOMSA-N 409.578 1.835 0 50 HDAA O=C1CCCCN1CCNS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)n[nH]2)o1 1506418978 XFFNEIJZVOVEQR-UHFFFAOYSA-N 406.386 1.979 0 50 HDAA CCn1ccnc1CN(C)C(=O)[C@H]1OCC(=O)N[C@@H]1c1ccc(OC)c(OC)c1 1529195914 QJFYCJLUUMXUCO-MOPGFXCFSA-N 402.451 1.135 0 50 HDAA CNC(=O)c1cc(S(=O)(=O)N2CCC[C@@]3(CCc4cnc(C)nc43)C2)cs1 1704326198 XMCYPUITGWRVOG-GOSISDBHSA-N 406.533 1.875 0 50 HDAA O=C(CC[C@H]1NC(=O)N(Cc2ccco2)C1=O)NC[C@@H]1CCCN2CCCC[C@H]12 1772492647 WVJJWTZEDHNRFR-CGTJXYLNSA-N 402.495 1.861 0 50 HDAA NC(=O)NCC(=O)N1CCCOc2cccc(c2)CC[C@@H]2CCCCN2C(=O)C1 1857707208 IINJQTHBJCGOOR-KRWDZBQOSA-N 402.495 1.280 0 50 HDAA COc1cc(C(=O)N[C@@H]2C[C@H]3CO[C@H](C4CC4)CN3C2)cc(OC)c1OCCCN 1857732249 IUMDMWSBVIUZOQ-UWVAXJGDSA-N 419.522 1.413 0 50 HDAA O=C(NC[C@H]1CC2(CCC2)CN1C(=O)c1cnn2ccncc12)c1cnnc(O)c1 1875358619 CGQQPLIANIWCBV-CQSZACIVSA-N 407.434 1.040 0 50 HDAA Cn1c(=O)c2c(nc(NC[C@@H]3CCCO3)n2Cc2ccccc2Cl)n(C)c1=O 4818330 JGKPAXFTAWKVKG-ZDUSSCGKSA-N 403.870 1.726 0 50 HDAA CS(=O)(=O)N1CCC(Oc2ccccc2C(=O)N2CCN(CC3CC3)CC2)CC1 11839142 DPCIUAMPEMJACQ-UHFFFAOYSA-N 421.563 1.657 0 50 HDAA COc1ccc(CC(=O)NC[C@H]2CCCN(C(=O)CCC3=NNC(=O)CC3)C2)cc1 11843754 MCZNSXPJSBDFFO-QGZVFWFLSA-N 414.506 1.639 0 50 HDAA COCCNC(=O)c1cn(C2CCN(C(=O)Cc3c(F)cccc3Cl)CC2)nn1 12157728 OGYZAYNIYKBYIY-UHFFFAOYSA-N 423.876 1.853 0 50 HDAA Cn1c(=O)c2cc(C(=O)N3CCN(c4ccccc4F)CC3)sc2n(C)c1=O 12422761 RTTZKIRLDYANRO-UHFFFAOYSA-N 402.451 1.400 0 50 HDAA O=C(CCN1CCCCO1)N1CCC[C@H](CNS(=O)(=O)c2cccs2)C1 12431010 HKPBEYQDDPGLOG-OAHLLOKOSA-N 401.554 1.683 0 50 HDAA CCN1CCC[C@H]1CNC(=O)CCC1CCN(C(=O)CCc2cnn(C)c2)CC1 15071517 WGLNRINFKSSCDE-FQEVSTJZSA-N 403.571 1.972 0 50 HDAA O=C(NCCN1CCOCC1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 16527327 ISTLFXUEMZEZSI-UHFFFAOYSA-N 415.943 1.189 0 50 HDAA O=C1C[C@@H](C(=O)Nc2ccc(Cl)cc2)NC(N2CCN(c3ccccn3)CC2)=N1 18240896 UUWLJUSAFAMLJK-INIZCTEOSA-N 412.881 1.740 0 50 HDAA CCN1CCN(C(=O)CN(c2ccc(Br)c(C)c2)S(C)(=O)=O)CC1 20102497 ZGOVXKFAXLMPKB-UHFFFAOYSA-N 418.357 1.688 0 50 HDAA COc1cc(OC)c(C2=NO[C@H](C(=O)NCCCN3CCOCC3)C2)cc1Cl 20481672 DNOXWAALFOAYOW-SFHVURJKSA-N 411.886 1.689 0 50 HDAA Cc1nccn1-c1cc(N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)ncn1 67601821 RVLZTCWOUOQMGZ-UHFFFAOYSA-N 402.455 1.621 0 50 HDAA CN(C)C(=O)NCC(=O)N1CCC2(CC1)CC(=O)N(CCCc1ccccc1)C2 95369697 GKDNSYOHJJBRIJ-UHFFFAOYSA-N 400.523 1.732 0 50 HDAA COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)C[C@@H](C)N1CCCC1)CC2 95520283 VYZPBGYAEJPFJT-MRXNPFEDSA-N 403.527 1.133 0 50 HDAA CN1CCN(C[C@@H](O)COc2ccc(CN3CCOC4(CCCC4)C3)cc2)CC1 95531296 SLQBYVLFFUHLGV-OAQYLSRUSA-N 403.567 1.819 0 50 HDAA NC(=O)C1CCN(c2ccc(NC(=O)Cn3[nH]c(=O)c4ccccc4c3=O)cc2)CC1 253392641 SJVKUZMJYJTENX-UHFFFAOYSA-N 421.457 1.030 0 50 HDAA Cc1cn(CC(=O)N2CC[C@]3(CCCN(CC4CCCCC4)C3=O)C2)c(=O)nc1O 426465388 AILDHPGRECGNMF-JOCHJYFZSA-N 416.522 1.679 0 50 HDAA CN(C[C@H]1CC(=O)N(C2CCCC2)C1)C(=O)c1ccc(N(C)S(C)(=O)=O)cc1 952978326 LDDGPSVZDZLDOW-OAHLLOKOSA-N 407.536 1.946 0 50 HDAA Cn1cc(CN2CCC3(CC2)OCC[C@@](C)(NC(=O)Cc2cccnc2)[C@@H]3O)cn1 1772708037 CFJIHDSIIPHLQE-LEWJYISDSA-N 413.522 1.049 0 50 HDAA CCc1noc(CN2CCOC3(CCN(Cc4cnc(C)cn4)CC3)CC2=O)n1 1857694177 DDCOXZMMRFPYCW-UHFFFAOYSA-N 400.483 1.514 0 50 HDAA CCC[C@H]1COC[C@H]2CN(C(=O)C3CCN(C(=O)c4ccncc4)CC3)CCN12 1857723467 HPQKIPJTISPJBW-VQTJNVASSA-N 400.523 1.646 0 50 HDAA CNc1ncccc1C(=O)N1CCC2(CCc3c(O)nc(N4CCOCC4)nc32)CC1 1940196634 XBDIGTKZUNJHQQ-UHFFFAOYSA-N 424.505 1.576 0 50 HDAA Cc1nnc2n1CCC[C@@H]2NC(=O)C(=O)Nc1cc(C(C)C)nn1-c1ncccn1 2325738367 UVLLSJKQMJGLJR-ZDUSSCGKSA-N 409.454 1.275 0 50 HDAA O=C1CC[C@@H](N2Cc3ccc(C(=O)NCc4cccc(C(=O)O)c4)cc3C2=O)C(=O)N1 2325895591 DQAUKSMBPQXDNI-QGZVFWFLSA-N 421.409 1.076 0 50 HDAA CCCS(=O)(=O)c1c(S(=O)(=O)CCC)c2c(N)cccn2c1C(=O)OC 826067 YKACPPUWPOXJNG-UHFFFAOYSA-N 402.494 1.676 0 50 HDAA CCn1c(=O)c2cc(S(=O)(=O)NCCOc3ccccc3)ccc2n(CC)c1=O 2875537 BNOIWMGHXJVQKG-UHFFFAOYSA-N 417.487 1.560 0 50 HDAA O=C(c1ccco1)N1CCN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)CC1 12002055 IBVLNWXQDIJVSK-UHFFFAOYSA-N 403.460 1.553 0 50 HDAA CCOC(=O)c1nnn(-c2nonc2N)c1CS(=O)(=O)c1ccc(Cl)cc1 12413746 WMOOOVYOGQGBAX-UHFFFAOYSA-N 412.815 1.037 0 50 HDAA CCOC(=O)N1CCC(NC(=O)[C@@H]2CCC(=O)N(CCc3ccccn3)C2)CC1 12440328 HWJUUARRTQBFHL-MRXNPFEDSA-N 402.495 1.600 0 50 HDAA O=C(NC[C@@H](c1ccc(F)cc1)N1CCCC1)c1cn(CCN2CCOCC2)nn1 14964928 PJDFOMIHDUULKM-FQEVSTJZSA-N 416.501 1.316 0 50 HDAA CCOC(=O)CN(Cc1ncccn1)C(=O)CCCn1c(C)nc2ccccc2c1=O 170603257 YLMLGRIVPZLVTP-UHFFFAOYSA-N 423.473 1.867 0 50 HDAA COc1ccc(CCN2C(=O)N[C@H](CCC(=O)N[C@H]3NC(C)=CS3)C2=O)cc1 206240485 VDKWCDPNDAWHLG-CRAIPNDOSA-N 404.492 1.536 0 50 HDAA CC(=O)c1c(C)nn(CC(=O)N[C@@H]2CCOC[C@H]2Oc2ccc(CO)cc2)c1C 223854782 TXAZVZGVZJGOPT-RTBURBONSA-N 401.463 1.548 0 50 HDAA CN(C)S(=O)(=O)N[C@@H]1[C@H]2CC[C@@H]1CN(Cc1ccc3c(c1)OC(F)(F)O3)C2 1857694181 DGKDRCYHEJNZME-VIKVFOODSA-N 403.451 1.615 0 50 HDAA Cc1[nH]nc(S(=O)(=O)N2CCc3ccccc3C2)c1C(=O)NC[C@H]1CCCCN1 1875305058 DXSFHEHCNIAGAJ-QGZVFWFLSA-N 417.535 1.337 0 50 HDAA O=C(Nc1ccc(N2CCCNS2(=O)=O)cc1)c1cc2c(nc1O)CCCC2 1875321853 YJJAYJMPQFLUIP-UHFFFAOYSA-N 402.476 1.963 0 50 HDAA NCc1nc(CC(=O)NCc2ccccc2S(=O)(=O)N2CCCCC2)cs1 1875346643 KDNLAUMXCXBCDY-UHFFFAOYSA-N 408.549 1.635 0 50 HDAA COc1ccc(N2C(=O)C(=CN[C@H]3CCS(=O)(=O)C3)c3ccccc3C2=O)cc1 2082933789 XKMYURGSYKRFIA-AWEZNQCLSA-N 412.467 2.000 0 50 HDAA Cn1[nH]c(-c2ccc(C(=O)N3CCC[C@@]4(C3)C(=O)Nc3ccccc34)cc2)nc1=O 2100483796 PRMDMFKEPMGFBF-QFIPXVFZSA-N 403.442 1.902 0 50 HDAA COC(=O)[C@H]1C[C@@H](n2cc(CC3(O)CCC3)nn2)CN1C(=O)[C@@H]1CCC[C@H]1C1CC1 2325872979 UGLZGHGJGUBGBK-FCGDIQPGSA-N 416.522 1.877 0 50 HDAA O=C(CCS(=O)(=O)c1ccccc1)Nc1ccccc1C(=O)N1CCOCC1 6704781 CMYBETJGFVLZRA-UHFFFAOYSA-N 402.472 1.962 0 50 HDAA CN1CCCN(C(=O)c2cn(CCNC(=O)c3cccc(C(F)(F)F)c3)nn2)CC1 11964744 IBZYVLPCNLWPBA-UHFFFAOYSA-N 424.427 1.505 0 50 HDAA COc1cc(CN(C)Cc2nonc2C)ccc1OC[C@@H](O)CN1CCSCC1 12051672 WUUUVBIZIHOSAT-KRWDZBQOSA-N 422.551 1.807 0 50 HDAA COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NCc2csc(C)n2)c(F)c1 12204815 UPMBSRNMRUGUGO-KRWDZBQOSA-N 406.483 1.606 0 50 HDAA CC(C)CN1CCNC(=O)[C@@H]1CC(=O)N1CCN(Cc2cccc(Cl)c2)CC1 14973377 NLRVSHCPCAQKEA-IBGZPJMESA-N 406.958 1.831 0 50 HDAA O=C(NCCCc1ccc(F)cc1)[C@H]1CCC(=O)N(CCCN2CCOCC2)C1 19757476 DUUVLONMZAYKPP-IBGZPJMESA-N 405.514 1.835 0 50 HDAA CC(C)[C@H](NS(C)(=O)=O)c1nnc2n1CCN(Cc1cccc(F)c1F)CC2 23339333 ZEJAFSIYQVYBCN-KRWDZBQOSA-N 413.494 1.861 0 50 HDAA O=C(NCc1cc(F)ccc1F)c1coc(CN2CCN(c3ncccn3)CC2)n1 55342900 CAXPVVPSDWTPGP-UHFFFAOYSA-N 414.416 1.995 0 50 HDAA Cc1cccc(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N(C)CCn3cccn3)[C@@H]4C2=O)c1 77484906 FRKNICHBIKISTL-GJPOJAMWSA-N 406.486 1.632 0 50 HDAA CC(=O)N1CCc2ccc(S(=O)(=O)N3CC[C@@H]4[C@@H](CCC(=O)N4C4CC4)C3)cc21 229988324 UENMHEJSULINCD-QFBILLFUSA-N 417.531 1.760 0 50 HDAA Cc1nc(NC(=O)[C@H](C)N2C[C@@H](O)[C@H](N(C)CC(=O)OC(C)(C)C)C2)sc1C 242263462 XZKXKUQBNQMQFF-NWANDNLSSA-N 412.556 1.406 0 50 HDAA Cc1nc(C)c(C(=O)Nc2cccc(S(=O)(=O)N3C[C@@H]4C[C@H]5C[C@H]4[C@@H]3[C@H]5O)c2)o1 408521031 FXNKPYYGUHIJPK-QXWBOSQLSA-N 417.487 1.934 0 50 HDAA Cn1cnc2cc(C(=O)NC34C[C@@H]5C[C@H](C3)CC(n3ncnn3)(C5)C4)ccc2c1=O 670451321 MFNOTQRECLFPAN-ZXPDZVFASA-N 405.462 1.398 0 50 HDAA CN1C[C@H]2CN(c3cc4c(nn3)CCN(C(=O)NC[C@H]3CCCS3)C4)C[C@H]2C1 952890939 NYLUSUHYNSUBDN-IXDOHACOSA-N 402.568 1.438 0 50 HDAA FC(F)(F)[C@]1(c2nc(-c3ccncc3)no2)CCN(c2nccn3nnnc23)C1 952894652 SVUCLTXTYLOHFQ-OAHLLOKOSA-N 403.328 1.675 0 50 HDAA Cc1nonc1C(=O)N1C[C@H]2CN(Cc3ccccc3F)C[C@]2(CCC(=O)O)C1 1772809599 AXVMETLEXRJFOU-FOIQADDNSA-N 402.426 1.956 0 50 HDAA COCCNC(=O)[C@@H]1C[C@@H]2CN(C3CCOCC3)CC(=O)N2[C@@H]1c1ccccc1 1857690427 CBXUOVMUWDTDDW-SFHLNBCPSA-N 401.507 1.202 0 50 HDAA CN1CCC[C@H]1CC(=O)N1CCC2(CCc3c(O)nc(N4CCOCC4)nc32)CC1 1857722536 XPBBMZBXGBFIRN-INIZCTEOSA-N 415.538 1.310 0 50 HDAA COC(=O)[C@H]1C[C@H]2CN(C(=O)c3c(C)c(C)nn3C)CC(=O)N2[C@H]1c1ccccc1 1857736911 QJJDJGOVBAKSNE-ZWOKBUDYSA-N 410.474 1.624 0 50 HDAA Cn1cc(C(=O)N2[C@H]3CC[C@H]2CC(n2cc(-c4ccc(C(=O)O)cn4)nn2)C3)cn1 1875327164 SMCMIBKARGTUAK-GJZGRUSLSA-N 407.434 1.780 0 50 HDAA C[C@H](CCCNC(=O)[C@@H]1CCC[C@H]1S(C)(=O)=O)NC(=O)[C@H](O)c1ccccc1 1875344110 DSHFZVMWRHXYMS-VDHUWJSZSA-N 410.536 1.334 0 50 HDAA O=C(O)C[C@H](Cc1cn(-c2ccc3[nH]ccc3c2)nn1)NC(=O)[C@H]1CCCCNC1=O 1875357015 XZSNHMNKPKOQBL-YOEHRIQHSA-N 424.461 1.167 0 50 HDAA Cc1nn(C)c(N)c1C(=O)N(C)[C@H]1CCCC[C@H]1N(C)C(=O)c1c(C)nn(C)c1N 2325706948 JRZVQXDYXFYDGH-OKILXGFUSA-N 416.530 1.090 0 50 HDAA CS(=O)(=O)N(CC(=O)N1CCC(C(N)=O)CC1)c1cccc(C(F)(F)F)c1 785161 PQTHVKCHFIXDFC-UHFFFAOYSA-N 407.414 1.195 0 50 HDAA CS(=O)(=O)N1CCN(C(=O)COc2ccc(Br)cc2Cl)CC1 2872685 VQFTXARUUOEZOR-UHFFFAOYSA-N 411.705 1.585 0 50 HDAA C[C@@H](NC(=O)c1ccc(N2CCN(C)CC2)c(S(N)(=O)=O)c1)c1ccccc1 5570390 SFQOLSSCXKZOAW-OAHLLOKOSA-N 402.520 1.577 0 50 HDAA COC[C@@H]1CCCN(Cc2ccc3c(c2)CN(C(=O)c2c[nH]c(=O)[nH]2)CCO3)C1 11963428 IRBNBUTUALRLRN-MRXNPFEDSA-N 400.479 1.596 0 50 HDAA CC(C)(C)CN1CCNC(=O)[C@H]1CC(=O)N1CCCN(Cc2ccccn2)CC1 12320043 VLVIDWQMYGDVGR-LJQANCHMSA-N 401.555 1.353 0 50 HDAA COC(=O)COc1ccc(/C=C2/SC(=O)N([C@H](C)C(=O)OC)C2=O)cc1OC 12381062 XJWYPSLJUBMDHP-WWNSAXIVSA-N 409.416 1.845 0 50 HDAA COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NCc2cccc(C)n2)c(OC)c1 13636723 KRFYWDHLRDKEPF-IBGZPJMESA-N 412.490 1.414 0 50 HDAA CSc1nc(O)c(C(c2ccccc2)c2c(O)nc(SC)[nH]c2=O)c(=O)[nH]1 18044481 AYMKVSPJDWHVOF-UHFFFAOYSA-N 404.473 1.888 0 50 HDAA Cn1ncc(Br)c1C(=O)NC(=S)N1CCN(c2ccccn2)CC1 18166943 UZMLYSNWSBRELZ-UHFFFAOYSA-N 409.313 1.415 0 50 HDAA COc1cc(/C=c2/sc3nc(=O)c(C)nn3c2=O)ccc1OCc1ccccc1 19834337 PSIWWQJHJURKHS-WOJGMQOQSA-N 407.451 1.955 0 50 HDAA COc1ccccc1/C=C/CN1CCN(CCn2cc(C(=O)NC(C)C)nn2)CC1 23339004 NFEDTHSZJKAUAY-SOFGYWHQSA-N 412.538 1.756 0 50 HDAA COc1ccc(S(N)(=O)=O)cc1C(=O)N1CCN(c2ncccc2Cl)CC1 48293825 WFJOMLPYIDQMFJ-UHFFFAOYSA-N 410.883 1.353 0 50 HDAA Cn1ccn2ncc(C(=O)N3CCC(N4CCC[C@@H](C(=O)N5CCCC5)C4)CC3)c12 71763780 AXODPGPXIZZRGO-QGZVFWFLSA-N 412.538 1.612 0 50 HDAA COc1cccc(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N(C)Cc3noc(C)n3)[C@H]4C2=O)c1 77320874 IWIZCLWANGMWEL-ZBPHCFQXSA-N 424.457 1.327 0 50 HDAA COCCN(C)CCN1CC2(CCN(C(=O)c3ccc(F)cc3F)CC2)OC1=O 77427511 JCLACCZNZPLBQX-UHFFFAOYSA-N 411.449 1.970 0 50 HDAA C[C@@H](C(=O)N(C)C[C@@]1(O)CCN(Cc2ccccc2)C1)n1nnc(-c2ccccc2)n1 170601433 MQMPZNSQYGDVHE-MBSDFSHPSA-N 420.517 1.997 0 50 HDAA c1cnc(N2CCN(CCCCNCc3ncc(C4OCCO4)s3)CC2)nc1 809614463 PKVMHJCOXKOFRR-UHFFFAOYSA-N 404.540 1.671 0 50 HDAA Cc1oc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)NCCN1CCNCC1 825720639 QYQWQYATYDWXFD-UHFFFAOYSA-N 408.402 1.445 0 50 HDAA CCc1ccc(CN2C[C@@H]3CN(C(=O)Cc4c(O)n[nH]c4C)C[C@@]3(CO)C2)s1 1772811948 CCOWSJPRFAEQQP-JLTOFOAXSA-N 404.536 1.543 0 50 HDAA CC[C@]12COC(=O)N1CCN(C(=O)c1ccc3c(c1)[nH]c(=NCCOC)n3C)C2 1857676440 HFDHWCNNERNWTP-FQEVSTJZSA-N 401.467 1.110 0 50 HDAA CCOC(=O)[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CCN(C(=O)c1cc(C)no1)C2 1857682929 MQEAKAKCOSDUAO-CBGDNZLLSA-N 405.495 1.879 0 50 HDAA CN1C[C@H](N=c2[nH]c(-c3ccccc3)nc3c2CCC32CCN(CCO)CC2)CC1=O 1857687794 FLPZKOLHSANQQK-GOSISDBHSA-N 421.545 1.480 0 50 HDAA CN(C)C(=O)C[C@H]1CN2C[C@@H](NC3CCN(c4ccc(F)cc4)CC3)C[C@H]2CO1 1857702313 IDTYNEVSWNUEDY-JBACZVJFSA-N 404.530 1.704 0 50 HDAA CCS(=O)(=O)NCc1ccnc(CNC(=O)c2cn(-c3ccccc3)nn2)c1 2100478127 UCRXQRDXCKFMKT-UHFFFAOYSA-N 400.464 1.032 0 50 HDAA COc1ccc([C@@H]2[C@@H](C(=O)NCc3n[nH]c4c3CCC4)OCC(=O)N2C2CC2)cc1 2100547355 HGXCEUDZQLFSJE-RTWAWAEBSA-N 410.474 1.654 0 50 HDAA CCCN1C[C@H](C(=O)N2CCCC[C@@H](NC(=O)c3cccc(C(N)=O)c3)C2)CC1=O 2325864131 HNLFTQSJRTUCIG-QZTJIDSGSA-N 414.506 1.155 0 50 HDAA CC[C@H](C(=O)N=[S@]1(=O)CCCN(C(=O)[C@@H]2CC2(F)F)CC1)N1CCCC1=O 2332239072 VKGQULLRXCQXTM-MYXHWSLCSA-N 405.467 1.270 0 50 HDAA CS(=O)(=O)N1CCCC[C@H]1CCNC(=O)c1ccc(-c2cncc(N)n2)cc1 2356167454 PCEUCEPQFFCGCZ-INIZCTEOSA-N 403.508 1.660 0 50 HDAA CC1(C)NC(=O)N(C[C@H](O)COc2ccc(I)cc2)C1=O 1165664 SYLZYVJEBIIABJ-JTQLQIEISA-N 404.204 1.361 0 50 HDAA CCOC(=O)N1CCC(NC(=O)c2cccc(N3C(=O)[C@H](C)CS3(=O)=O)c2)CC1 12003071 FPXVAAMOCZJQKB-CYBMUJFWSA-N 423.491 1.350 0 50 HDAA CC(C)CNc1cc(C(=O)N2CCC[C@H](C(N)=O)C2)cc(S(=O)(=O)N(C)C)c1 14542569 JHMOEXJNMFHAMO-AWEZNQCLSA-N 410.540 1.342 0 50 HDAA O=C1CN(C(=O)[C@@H]2CCOC2)C[C@H](OCc2ccccc2)CN1CC1CCOCC1 14748947 DEOCHGPWOOIRHI-NHCUHLMSSA-N 416.518 1.706 0 50 HDAA COc1ccc([C@H](NC(=O)Cn2nnnc2CN(C)C(C)C)c2ccncc2)cc1 15063699 UZIVWVCGVAQKJD-NRFANRHFSA-N 409.494 1.823 0 50 HDAA Cc1n[nH]c(C)c1CCN(C)C(=O)C[C@H]1C(=O)NCCN1Cc1ccc(F)cc1 19731369 OSZCQASBXHYGPN-IBGZPJMESA-N 401.486 1.557 0 50 HDAA COc1cccc([C@@H]2CCCN2C(=O)CCn2nnnc2CN2CCOCC2)c1 20599390 QRJDMINEVMIJRV-SFHVURJKSA-N 400.483 1.268 0 50 HDAA O=C1CCN(Cc2ccc(OC[C@H](O)CN3CCc4ccccc4C3)cc2)CCN1 23231437 VRQWXJBCMOKRRQ-JOCHJYFZSA-N 409.530 1.807 0 50 HDAA Cc1ccc(CCN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N(C)Cc3cnn(C)c3)[C@H]4C2=O)cc1 77540728 YZJPAQSGIAYMMG-CIEVZJJWSA-N 420.513 1.712 0 50 HDAA Cc1cccc(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N(C)Cc3cc(C)[nH]n3)[C@@H]4C2=O)c1 77541778 BHALVZDTOPSGON-GJPOJAMWSA-N 406.486 1.967 0 50 HDAA Cc1cn2nc(C(=O)N3CCC(NC(=O)[C@H](C)c4ccccc4)CC3)cc2c(=O)[nH]1 169776997 KDSRIHQWVVAGQJ-OAHLLOKOSA-N 407.474 1.856 0 50 HDAA Cc1nc(NC(=O)[C@@H](C)N2C[C@H](N(C)CC(=O)OC(C)(C)C)[C@H](O)C2)sc1C 242263463 XZKXKUQBNQMQFF-VHDGCEQUSA-N 412.556 1.406 0 50 HDAA COCCC1(C(=O)NS(=O)(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)CC1 252491653 LPOYZIHMNNIBEG-UHFFFAOYSA-N 424.928 1.212 0 50 HDAA COC(=O)c1cn(CCCNC(=O)c2nc3ccccc3s2)cc2c(=O)[nH]nc1-2 263587896 MOEXAEDJVXPXFX-UHFFFAOYSA-N 411.443 1.893 0 50 HDAA COCCN1C(=O)C[C@@H](CNc2cc(C)nc(COC)n2)[C@@H]1c1cnn(C(C)C)c1 328608433 YZVODOVIPHMELW-HRAATJIYSA-N 416.526 2.357 0 50 HDAA Cc1cc(C(=O)N[C@]2(C)CCOC3(CCN(C(=O)c4ccco4)CC3)[C@H]2O)n(C)n1 1704305646 MLVJNDGUTJTRNP-VQTJNVASSA-N 416.478 1.266 0 50 HDAA O=C(NC[C@H]1CN(CC2CCN(CC3CC3)CC2)C(=O)CO1)c1cncc(F)c1 1857679462 VREZIUZIGGAUNX-IBGZPJMESA-N 404.486 1.300 0 50 HDAA CCOc1ccc2nc(N3C[C@@H](C(=O)NCCN4CCOCC4)CC3=O)sc2c1 1857710589 GCCRBQVVBHBZFS-AWEZNQCLSA-N 418.519 1.496 0 50 HDAA O=C1CC[C@@H](N2Cc3ccc(-n4cc(CC[C@H]5CCCO5)nn4)cc3C2=O)C(=O)N1 1875356054 SCZCVORSAJAZDR-SJLPKXTDSA-N 409.446 1.140 0 50 HDAA O=C(c1ccc(F)cc1)N1CCN(S(=O)(=O)c2ccn([C@H]3CC3(F)F)n2)CC1 2325819330 ARKAECSATKVSML-AWEZNQCLSA-N 414.409 1.749 0 50 HDAA O=C(CN1C(=O)c2ccccc2C1=O)O[C@@H]1CSC[C@H]1NC(=O)c1ccccc1 1071196 CNEAINCFEWGLJK-IAGOWNOFSA-N 410.451 1.740 0 50 HDAA O=C(O)CCS(=O)(=O)c1cccc2c(S(=O)(=O)CCC(=O)O)cccc12 3130004 HODXQACHMRPVGC-UHFFFAOYSA-N 400.430 1.337 0 50 HDAA CN(Cc1cnn(C)c1)Cc1cnc(S(=O)(=O)CC2CC2)n1C[C@@H]1CCCO1 11935917 YRVNDEYJKXXZKU-SFHVURJKSA-N 407.540 1.611 0 50 HDAA CCOc1ccc(S(=O)(=O)N2CCN(c3ccc(-n4cccn4)nn3)CC2)cc1 13009212 HAJTWIREWRUQGS-UHFFFAOYSA-N 414.491 1.572 0 50 HDAA COc1ccc(OC)c(NC(=O)CCNS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c1 15936477 DKFSUDVKAGZTIX-UHFFFAOYSA-N 421.431 1.445 0 50 HDAA O=C(NCc1nnc2n1CCN(Cc1ccc(OCCO)cc1)CC2)c1ccncc1 20601138 TYPCKOMHDOPNOG-UHFFFAOYSA-N 422.489 1.033 0 50 HDAA COc1cccc([C@@H]2CCCN2C(=O)CCCn2nnnc2CN2CCOCC2)c1 23128930 MJYHWHWVCLNWAX-IBGZPJMESA-N 414.510 1.658 0 50 HDAA COc1ccc(S(=O)(=O)N2CCN(c3cc(C)nc(N4CCCC4)n3)CC2)cc1 65365043 PEOSPPJUDGNNBC-UHFFFAOYSA-N 417.535 1.905 0 50 HDAA CN(Cc1nccs1)S(=O)(=O)c1ccc2c(c1)CN(S(C)(=O)=O)CC2 77517890 ZFICVVKCZWLXQG-UHFFFAOYSA-N 401.535 1.282 0 50 HDAA CCN(CC)CCn1c(-c2ccc(OC)cc2)cn2c3c(=O)[nH]c(=O)n(C)c3nc12 170624346 ZTNJOXLQWOLRRU-UHFFFAOYSA-N 410.478 1.693 0 50 HDAA COc1ccc(CN2C(=O)N[C@H](CCC(=O)NCCc3nccs3)C2=O)cc1 206231211 YSFAZBCFBASBGO-OAHLLOKOSA-N 402.476 1.711 0 50 HDAA CCc1ncc(C(=O)N2CCC[C@@H](n3ncc(N4CCOCC4)cc3=O)C2)s1 328605212 MMBWQTHSXJZCOK-CQSZACIVSA-N 403.508 1.576 0 50 HDAA O=C(N[C@H]1C[C@H](c2cccc(F)c2)C1)c1ccc2c(c1)S(=O)(=O)N=C1N=CNN12 437446071 HWNRYEFIEBOELT-CTYIDZIISA-N 413.434 1.913 0 50 HDAA Cc1ccc(S(=O)(=O)NCCCNC(=O)c2ccccc2N2CCOCC2)cc1 825176923 SJSGAEHKEXYAGQ-UHFFFAOYSA-N 417.531 1.930 0 50 HDAA CSCC(=O)N1C[C@@H]2CN(C(=O)C3Cc4ccccc4C3)C[C@@]2(CCC(=O)O)C1 1772709948 TVMSPJQRPYPVGT-XMSQKQJNSA-N 416.543 1.916 0 50 HDAA Cc1cc(C(F)(F)F)n(-c2nc(C(=O)N3CCC([C@@H](O)CO)CC3)cs2)n1 1772711385 YOLPORQCFMWWOQ-LBPRGKRZSA-N 404.414 1.861 0 50 HDAA O=C1CCCN1c1ccc(CNS(=O)(=O)CC[C@@H]2CCS(=O)(=O)C2)cc1 1857703050 GPIKIYNBAGUJBR-HNNXBMFYSA-N 400.522 1.058 0 50 HDAA CCCc1nnc(N2C[C@H](C(=O)N(CCOC)Cc3ccncc3)CC2=O)s1 1857740983 WOWZSCZYWOTNPG-OAHLLOKOSA-N 403.508 1.914 0 50 HDAA COc1ccc(NC(=O)NCc2ccc3c(c2)C(=O)N([C@H]2CCC(=O)NC2=O)C3)cn1 2325887147 WDCHIXCEIGKHHX-INIZCTEOSA-N 423.429 1.173 0 50 HDAA COc1ccc(CNC(=O)CCc2c(C)nc3c(c2C)c(=O)n(C)c(=O)n3C)cc1 6772809 RTJFMRFCGBNAIC-UHFFFAOYSA-N 410.474 1.507 0 50 HDAA COc1ccccc1CC(=O)NCCn1cc(C(=O)N(C)Cc2ccccc2)nn1 12455848 OOXRABXVPQXMNC-UHFFFAOYSA-N 407.474 1.918 0 50 HDAA COC(=O)C1CCN(C[C@H](O)COc2cccc(CNCCn3cccn3)c2)CC1 15077889 NVJPQVJILALDAK-FQEVSTJZSA-N 416.522 1.298 0 50 HDAA CCOC(=O)CC1(NC(=O)[C@H]2CCC(=O)N(CCN3CCOCC3)C2)CCCCC1 23337873 BCXDZBVTVSDNAX-SFHVURJKSA-N 423.554 1.330 0 50 HDAA Cc1nc(CCNC(=O)Cn2nnnc2CN2CCCCCC2)nc2c1CCCC2 67769505 PSJYJJWEAFGYKR-UHFFFAOYSA-N 412.542 1.385 0 50 HDAA C[C@H](O)[C@H]1N[C@@]2(C(=O)Nc3ccc(F)cc32)[C@@H]2C(=O)N(C3CCCCCC3)C(=O)[C@H]12 245327365 OTFGQGNYDVZDKF-BHYOEICHSA-N 415.465 1.650 0 50 HDAA CC[C@H](C)[C@H](CO)NC(=O)CC[C@@H]1N=C(O)N(Cc2ccc3c(c2)OCO3)C1=O 252570456 WTUQBARDQGWPJY-QEJZJMRPSA-N 405.451 1.344 0 50 HDAA Cn1cnc2cc(C(=O)N[C@H]3C4CN5CCN(C4)CC3(c3ccccc3)C5)ccc21 670470031 HLNAMISISNMZRQ-IGSLEHJCSA-N 401.514 1.871 0 50 HDAA COC(=O)c1cc(C(=O)OCC(=O)NCC(=O)N[C@H](C)c2ccc(F)cc2)c[nH]1 814531378 HQOQXOSCGVXUNV-LLVKDONJSA-N 405.382 1.091 0 50 HDAA CCc1ncc(C(=O)NC[C@H]2CCCN(CC(=O)NCc3cccs3)C2)cn1 952990082 KEIXTUZDHKBJPC-OAHLLOKOSA-N 401.536 1.859 0 50 HDAA COc1ccccc1N(CCC(N)=O)C(=O)COC(=O)Cc1c[nH]c2cnccc12 1261234875 YYZXISABZFRLIW-UHFFFAOYSA-N 410.430 1.566 0 50 HDAA Cc1c(C(=O)N2CCc3cc(F)cc(F)c3C2)cnc2c1c(=O)n(C)c(=O)n2C 1472429083 UEBWTBCKQHHIOL-UHFFFAOYSA-N 400.385 1.417 0 50 HDAA CSCc1noc(CN2C[C@@H]3CN(Cc4ccncc4Cl)C[C@]3(CO)C2)n1 1772804366 NLQYLKGVDZVDGM-KBXCAEBGSA-N 409.943 1.907 0 50 HDAA CC(C)CCN1C[C@@H]2CN(S(=O)(=O)C3CCOCC3)C[C@]2(CCC(=O)O)C1 1772806944 MHVBKQXFBCVFAP-APWZRJJASA-N 402.557 1.640 0 50 HDAA O=C1NCCOc2ccc(C(=O)N(CCO)Cc3cncc(Br)c3)cc21 1857531100 GMENXTASFSEXHR-UHFFFAOYSA-N 420.263 1.601 0 50 HDAA CCCCCc1nc(-c2cc3n(n2)CCN(C)C3=O)n([C@H]2CCS(=O)(=O)C2)n1 1857671948 ZGXXWMNBNSKXEG-ZDUSSCGKSA-N 406.512 1.320 0 50 HDAA CC[C@@H]1[C@H](C(=O)N2CCCCC2)C[C@@H]2CN(Cc3ccnc(OC)c3)CC(=O)N21 1857684317 IJFQDYIHFMFDBB-GUDVDZBRSA-N 400.523 1.914 0 50 HDAA COc1cc(-c2nccn2-c2c(C)nn(CCO)c2C)cc(Cl)c1OCC(N)=O 1857685253 FVZREBWGKGKTJX-UHFFFAOYSA-N 419.869 1.871 0 50 HDAA CSCC(=O)N1C[C@H]2CN(C(=O)c3ccccc3-c3ncc[nH]3)C[C@@]2(CO)C1 1857698945 OMWVTEMLFRFPFY-VBKZILBWSA-N 400.504 1.333 0 50 HDAA CCCN=c1ncc(-c2nccn2-c2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2C)c[nH]1 1857705046 PRCXDIXCDFWGSP-MRXNPFEDSA-N 415.523 1.746 0 50 HDAA Cc1cc(=O)cc(C(=O)N2CCO[C@@H](CN3CCCCC3)[C@@H]2c2cnn(C)c2)o1 1857720512 XNROUMGZOWQPFF-PMACEKPBSA-N 400.479 1.750 0 50 HDAA Cc1nc(-c2nc[nH]n2)sc1C(=O)O[C@@H](C)C(=O)c1ccc2c(c1)NC(=O)CO2 1875254512 VQDIWVYGWDEEMO-VIFPVBQESA-N 413.415 1.996 0 50 HDAA C[C@@H]1[C@H](NC(=O)C(=O)Nc2cccc(C(=O)NCc3ccccn3)c2)CCCN1C 1875259163 ZMKKJDRVTSYZDX-DNVCBOLYSA-N 409.490 1.549 0 50 HDAA Cc1nonc1CNC(=O)[C@@H]1C[C@@H](O)[C@H](NC(=O)c2cc3cc(F)ccc3[nH]2)C1 2100534289 BOPXILARTOQDBD-FABXCBLPSA-N 401.398 1.184 0 50 HDAA COc1cccc2c1C1(CCN(C(=O)C[C@@H]3C(=O)NCCN3C(C)C)CC1)OCC2 2356143341 DFKYHPGJONCWJN-GOSISDBHSA-N 415.534 1.685 0 50 HDAA Cc1ccccc1CN1CCNC(=O)[C@H]1CC(=O)NCc1cn2cccc(C)c2n1 12445418 FMBHRXZKSIJKKU-HXUWFJFHSA-N 405.502 1.958 0 50 HDAA Cc1ccc(C(=O)NCCCN2CCOCC2)cc1S(=O)(=O)N1CCCCC1 25330152 IHXGFHULIFKCMW-UHFFFAOYSA-N 409.552 1.622 0 50 HDAA CS(=O)(=O)N1CCC(Oc2ccccc2C(=O)N2CCc3n[nH]cc3C2)CC1 95512507 NDELAKBBSZMAGQ-UHFFFAOYSA-N 404.492 1.411 0 50 HDAA COc1cccc([C@@]2(CC(=O)N3C[C@H]4CC[C@H]3C4)CC(=O)N(CCN(C)C)C2=O)c1 104443391 NJODJHOBJUASDC-CEXJFXJFSA-N 413.518 1.655 0 50 HDAA CC(=O)N[C@H](CC(=O)N1CCC[C@H]1c1nc(C(N)=O)no1)c1ccc(Cl)cc1 170614430 KBEPNBYCFCRVIB-KGLIPLIRSA-N 405.842 1.753 0 50 HDAA C[C@@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)N1CCN(CC(=O)NCc2ccccc2)CC1 229592789 BGOYLLGJYKIZPN-AQNXPRMDSA-N 400.567 1.813 0 50 HDAA COc1ccc(C(=O)COC(=O)CCN2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@@H]45)[C@H]3C2=O)cc1 239203493 SLTUBUZMCCFPDR-OPLYSGQSSA-N 409.438 1.864 0 50 HDAA NS(=O)(=O)c1ccc(CCN[C@@H]2CNC(=O)c3cc(-c4cccs4)nn32)cc1 263615965 GGVXWMHJNQBFNE-KRWDZBQOSA-N 417.516 1.333 0 50 HDAA NC(=O)COc1ccc(S(=O)(=O)NCCN2CCC[C@@H](c3ccccc3)C2)cc1 670465042 FOTYYMMTAQXNEQ-GOSISDBHSA-N 417.531 1.709 0 50 HDAA C[C@@]1(NC(=O)CCCc2nc(-c3ccncc3)no2)CCOC2(CCNCC2)[C@H]1O 1704303497 KEGZZQMLRVJZCV-VQTJNVASSA-N 415.494 1.233 0 50 HDAA Cc1ccc2c(c1)C(=O)NCCN(C[C@@H]1CCC(=O)O1)CCCC(=O)NCCO2 1875239859 IZAWCJFMBUQSJG-INIZCTEOSA-N 403.479 1.021 0 50 HDAA CCn1c(O)nc2cc(C(=O)N[C@H]3CCN(C(=O)Cc4ccccc4)C3)ccc2c1=O 2325721563 HVSQQGPJBKHKBA-KRWDZBQOSA-N 420.469 1.695 0 50 HDAA Cn1nccc1[C@H]1CN(c2ncnc3c2NC(=O)CN3)CCN1Cc1ccccc1 2325873085 YSLMUQHMEOSRFS-QGZVFWFLSA-N 404.478 1.638 0 50 HDAA Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CCN(c3ccccn3)CC2)cc1 6742710 JRMLCUCDPFCTGF-LJQANCHMSA-N 414.531 1.892 0 50 HDAA CCOC(=O)N1CCN(C(=O)C[C@H]2C(=O)NCCN2CCCc2ccccc2)CC1 14969603 JKXLYJBLRZMBLN-IBGZPJMESA-N 416.522 1.110 0 50 HDAA COCC(=O)N1CCC(Oc2ccc(C(=O)NCCn3ccnc3C)cc2)CC1 20906476 NQXCIYJNIGDPPT-UHFFFAOYSA-N 400.479 1.638 0 50 HDAA CC(C)Cn1nc(C(=O)N2CCCC2)c2c1CC[C@H](NCCN1CCOCC1)C2 23353985 UEAHNMWIXVSRIB-SFHVURJKSA-N 403.571 1.554 0 50 HDAA Cc1nc(N2CCOCC2)cc(N2CCN(S(=O)(=O)c3ccccc3F)CC2)n1 33318435 YNUWXVXAJAOEKG-UHFFFAOYSA-N 421.498 1.272 0 50 HDAA COc1ccccc1/C=C/CN1CCNC(=O)[C@@H]1CC(=O)NCCc1cnccn1 55344250 APIMIJWMLQWNKP-OQBYNLHGSA-N 409.490 1.048 0 50 HDAA CN1CCC(CCNC(=O)c2ccc(CS(=O)(=O)N3CCN(C)CC3)cc2)CC1 67620684 YRVJFCMEKVWBRT-UHFFFAOYSA-N 422.595 1.226 0 50 HDAA Cc1ncn(-c2cc(N3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)ncn2)c1C 72116087 ACJJKQQQYZZROV-UHFFFAOYSA-N 416.482 1.929 0 50 HDAA CCn1cnnc1CN(C)C(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(Cc4cccc(C)c4)C(=O)[C@@H]13)O2 77375332 BNIXTYQVFBNZCG-CLWLKPMESA-N 421.501 1.547 0 50 HDAA Cc1noc(CN(C)C(=O)[C@H]2[C@@H]3C=C[C@@]4(CN(c5ccc(F)cc5C)C(=O)[C@@H]24)O3)n1 77379016 LISVHAWMTBTLBE-JWVYWZTKSA-N 412.421 1.771 0 50 HDAA CN(CCCn1cccn1)C(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(c4ccc(F)cc4)C(=O)[C@H]13)O2 77422279 DOEXFNVXCJVUFY-WEMPKCCASA-N 410.449 1.857 0 50 HDAA CCNc1ncc(C(=O)N2CCC3(CCC(=O)N(C[C@H]4CCCO4)C3)CC2)cn1 91830907 UYXGESKHQWHXOB-QGZVFWFLSA-N 401.511 1.932 0 50 HDAA Cc1c(C)[n+]([O-])c([C@@H](c2ccc3nccnc3c2)C2C(=O)OC(C)(C)OC2=O)n1C 263586969 AKNQJQUSLMVACN-INIZCTEOSA-N 410.430 1.803 0 50 HDAA Cc1nc(C(=O)NC[C@H]2COc3ccccc3O2)nn1-c1n[nH]c(C(F)(F)F)n1 474335002 YTLVWNLSAYJGPU-VIFPVBQESA-N 409.328 1.282 0 50 HDAA Cn1ncc(CNS(=O)(=O)c2ccc(-n3ncc(Cl)c(Cl)c3=O)cc2)n1 805101276 URWVQVMWTHGZOO-UHFFFAOYSA-N 415.262 1.146 0 50 HDAA CNC(=O)c1cc(S(=O)(=O)N2CCC[C@@]3(CCC(=O)N(C)C3)C2)ccc1OC 952860706 SLMJQMFFIPKVOR-IBGZPJMESA-N 409.508 1.078 0 50 HDAA COc1cc(C)c(C)cc1S(=O)(=O)N1CCC[C@@]2(CCC(=O)N(CCO)C2)C1 1506414074 BVMIEPAEUQLFDZ-FQEVSTJZSA-N 410.536 1.698 0 50 HDAA COCCNc1noc(-c2ccc(Cl)cc2)c1C(=O)N1CC2(CNC(=O)N2)C1 1704312730 XSXAFESHFBSDQV-UHFFFAOYSA-N 405.842 1.561 0 50 HDAA Cc1cc(-c2cc(S(=O)(=O)N3C[C@@H]4COCC[C@]4(C(=O)O)C3)c(C)s2)n[nH]1 1772709303 NQZSNFPBOTVDFN-PXAZEXFGSA-N 411.505 1.867 0 50 HDAA Cc1cc(NC(=O)CN2C[C@@H]3CN(Cc4cc[nH]n4)C[C@@]3(CO)C2)ccc1Cl 1772809251 QOZAULNVAYEEJR-YWZLYKJASA-N 403.914 1.736 0 50 HDAA Cc1cn2c(n1)CC[C@@H](NC(=O)C1(C(=O)N[C@@H]3CCc4nc(C)cn4C3)CCC1)C2 2325740495 MKETYUIBBFKSDT-IAGOWNOFSA-N 410.522 1.429 0 50 HDAA O=C1CC[C@@H](N2Cc3cc(NC(=O)N4CCCc5ncccc54)ccc3C2=O)C(=O)N1 2325901400 DDZTVLGFJWIJIJ-GOSISDBHSA-N 419.441 1.827 0 50 HDAA COC[C@@H](C)NC(=O)C1CCN(S(=O)(=O)c2ccc(OC)c(Cl)c2)CC1 5018620 WDIMESOARPTBNJ-GFCCVEGCSA-N 404.916 1.900 0 50 HDAA COc1ccc(OC2CCN(C(C)=O)CC2)c(C(=O)NCCN2CCC[C@@H](O)C2)c1 12054960 ABMRZFLNNQVCTD-QGZVFWFLSA-N 419.522 1.271 0 50 HDAA CN(C)S(=O)(=O)N1CC[C@H]2[C@H](CCCN2C(=O)Cc2cc(F)c(F)c(F)c2)C1 12126025 BARJNPKUOXZLPS-CJNGLKHVSA-N 419.469 1.766 0 50 HDAA CC(=O)NS(=O)(=O)c1ccc(NC(=O)[C@H]2CC(Cl)=CC[C@@H]2C(=O)O)cc1 12379547 OUXLSZIPAALAOZ-KBPBESRZSA-N 400.840 1.683 0 50 HDAA O=C(NCCc1nnc2n1CCN(Cc1cccc3cccnc13)CC2)[C@@H]1CCCO1 20450760 OKUZPZIWHHWHTQ-IBGZPJMESA-N 420.517 1.722 0 50 HDAA COc1ccccc1CN1CCNC(=O)[C@H]1CC(=O)N1CCN(C2CCCC2)CC1 20543144 IZZGTJMONYBHEV-HXUWFJFHSA-N 414.550 1.473 0 50 HDAA Cc1cccc(N2CCN(CC(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)c1C 55142348 GDUGWBBJBFRMJS-UHFFFAOYSA-N 402.520 1.712 0 50 HDAA COc1ccccc1/C=C/CN1CCNC(=O)[C@@H]1CC(=O)NCc1cnn(C)c1C 55414832 JVAAMDHXVFCVMO-FNQPIQQGSA-N 411.506 1.257 0 50 HDAA COc1c2c(c(S(=O)(=O)NCCc3ccccc3)c3c1C(=O)N(C)CC3)OCO2 263584780 AMUHZMSBVYLBAG-UHFFFAOYSA-N 418.471 1.573 0 50 HDAA biogenic O=C(c1cnc(O)nc1O)N1CC[C@]2(CCCN(CCCc3ccccc3)C2=O)C1 426493165 KTZUUIQZWLDAOM-JOCHJYFZSA-N 410.474 1.975 0 50 HDAA O=C1COc2cc(C(=O)N[C@@H]3C4CN5CCN(C4)CC3(c3ccccc3)C5)ccc2N1 670448943 QBRKEQJCRCTBCH-XAHYOPIXSA-N 418.497 1.315 0 50 HDAA CC(C)CCN1C[C@H]2CN(S(=O)(=O)C3CCOCC3)C[C@]2(CCC(=O)O)C1 1772806945 MHVBKQXFBCVFAP-LPHOPBHVSA-N 402.557 1.640 0 50 HDAA O=C(NCCc1nc2c(s1)CCC2)[C@@]12CC[C@H](N3CCOCC3)C[C@H]1CCNC2 1857692303 YIWFMZZMSMORFR-HYFFOGBASA-N 418.607 1.771 0 50 HDAA Cc1noc(C)c1CNC(=O)[C@H]1CC[C@H](NC(=O)CCc2n[nH]c(C)c2C)[C@@H](O)C1 1857693768 LMTIIOYBTRPUDG-SNRMKQJTSA-N 417.510 1.526 0 50 HDAA CN1CC[C@]2(C(=O)N3CCOCC3)CCCN(S(=O)(=O)c3ccccc3)[C@H]2C1 1857706115 AKUJPKWSYBMPKL-AZUAARDMSA-N 407.536 1.020 0 50 HDAA CCc1ncc(C(=O)NC[C@H]2[C@H]3CN(c4nc(C)cc(C)n4)C[C@]34CC[C@H]2O4)cn1 1857709499 AUODBPLHJDCVIA-KCXPTXFHSA-N 408.506 1.860 0 50 HDAA O=C(Nc1cn(CC(F)(F)F)nc1C1CC1)C(=O)N1CCC[C@@H]1C1OCCO1 1875330337 OFHFYFLXSWXZHL-GFCCVEGCSA-N 402.373 1.625 0 50 HDAA CC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NCc1c(C)cc(=N)[nH]c1C)c1ccccc1 1875362751 RBKDJFHEAJJXCJ-FPOVZHCZSA-N 423.517 1.596 0 50 HDAA CO[C@H](C(=O)NCCCNC(=O)[C@H](OC)c1ccccc1O)c1ccccc1O 2325736229 ANCHXVCGKHYZLE-KDURUIRLSA-N 402.447 1.796 0 50 HDAA CCN1CCC[C@@H](C(=O)N2CCCCC[C@H](NC(=O)c3cncc(C(N)=O)c3)C2)C1 2325864606 TWAPUHPOFVOUSR-APWZRJJASA-N 415.538 1.413 0 50 HDAA COc1ccc(NS(=O)(=O)c2ccc(OC)c(C(=O)N3CCOCC3)c2)cc1 7360472 OOKSZKXHBIDRGN-UHFFFAOYSA-N 406.460 1.977 0 50 HDAA O=C(CCC1CCN(C(=O)CN2CCOC2=O)CC1)Nc1ccc2c(c1)OCCO2 11874155 NHNJCBBRTRUOTB-UHFFFAOYSA-N 417.462 1.867 0 50 HDAA CCc1ccc(C(=O)N2CCN3C(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@H]3C2)cc1 14743045 FENFBHIDCKVEIW-VQTJNVASSA-N 407.470 1.349 0 50 HDAA COc1cccc(CN2CCN3C(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H]3C2)c1 14745065 DIWGAHNDEANGPX-FCHUYYIVSA-N 418.497 1.930 0 50 HDAA CCN1CCN(Cc2ccc(OC[C@@H](O)CN3CCN(CC)CC3)c(OC)c2)CC1 20995304 NYWIWSCXULIQGV-NRFANRHFSA-N 420.598 1.210 0 50 HDAA CC(=O)CCC(=O)N1CCC[C@@H](N2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 23360121 GCGLDXRAFGWBIH-LJQANCHMSA-N 401.507 1.893 0 50 HDAA CC1CCN(CCCNC(=O)c2cccc(S(=O)(=O)N3CCN(C)CC3)c2)CC1 67622815 SXZWVPAEKQSVNU-UHFFFAOYSA-N 422.595 1.475 0 50 HDAA COC[C@H]1CCCN1S(=O)(=O)c1ccc2c(c1)CN(C(=O)c1ccon1)CC2 77539887 VFERLSXONHGTLJ-MRXNPFEDSA-N 405.476 1.673 0 50 HDAA CN(C)C(=O)CN1CCC(CCC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CC1 95501437 FYJFNSUGGABDNW-OAQYLSRUSA-N 400.567 1.958 0 50 HDAA COc1ccc(CN2C(=O)N[C@H](CC(=O)NC[C@@H]3C[C@H]4C=C[C@H]3C4)C2=O)cc1OC 206251907 SPUFLTLJUWXBPT-QSPRXWTASA-N 413.474 1.843 0 50 HDAA O=C(C[C@H]1N=C(O)N(Cc2ccccc2)C1=O)N1CCN(CCc2ccccn2)CC1 252533025 FTGXJNOWRUQUPX-HXUWFJFHSA-N 421.501 1.483 0 50 HDAA C[C@@H]1CO[C@H](CO)CN1C(=O)c1cn(C)nc1[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 253393070 PYTVCFNZDRUXQU-OAGGEKHMSA-N 422.526 1.756 0 50 HDAA Cc1cc(NC(=O)CNC(=O)CC2(c3oc(C)cc(=O)c3O)CCSCC2)on1 1776111204 GHCHHMDQDOPRIW-UHFFFAOYSA-N 421.475 1.860 0 50 HDAA O=C1CC(C(=O)N2CC3(CCC3)C[C@H]2CNC(=O)c2cncc3[nH]ccc23)CC(=O)N1 1875360958 NYPBUCNSHIYOMK-AWEZNQCLSA-N 423.473 1.117 0 50 HDAA O=C(N[C@@H]1CCCOC12CCNCC2)c1cc2c(s1)CCOC21CCNCC1 2356163073 WHJGDPTXMBRZGM-GOSISDBHSA-N 405.564 1.931 0 50 HDAA COc1ccc(OC)c(S(=O)(=O)N(C)CC(=O)Nc2ccc3c(c2)OCCO3)c1 2866214 OVEBIQBFXZXHFI-UHFFFAOYSA-N 422.459 1.734 0 50 HDAA COCCNC(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(C)cc1 2936672 IWRMJYCRCZRNPL-UHFFFAOYSA-N 422.503 1.970 0 50 HDAA COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H](C(=O)N2CCOCC2)C1 6702988 ICBWVHNUPREKTF-ZDUSSCGKSA-N 402.900 1.608 0 50 HDAA Cc1cc(C)cc(N2CCN(C(=O)C[C@@H]3C(=O)NCCN3C3CCCC3)CC2=O)c1 11754258 BSGDSZODAGBFCS-HXUWFJFHSA-N 412.534 1.612 0 50 HDAA Cc1cc(C)n(CCNC(=O)c2ccccc2OC2CCN(S(C)(=O)=O)CC2)n1 12708339 KNQHEVVXBUAYAA-UHFFFAOYSA-N 420.535 1.733 0 50 HDAA CCOC(=O)C1=C(CN2CCOCC2)NC(=O)N[C@H]1c1ccc(OC)c(COC)c1 13960834 LRCIQPBFFLHDFG-IBGZPJMESA-N 419.478 1.345 0 50 HDAA CCCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@H](N1CCN(C=O)CC1)C2 14741755 SDFJUFKRPFGWOU-SFHVURJKSA-N 401.555 1.941 0 50 HDAA CN(Cc1cnccn1)C(=O)C[C@@H]1C(=O)NCCN1Cc1ccc(F)cc1Cl 14949464 MWZVAIBOLFIDCL-QGZVFWFLSA-N 405.861 1.618 0 50 HDAA COCCN1C(=O)c2cccc(N3CCN(C(=O)Cc4ccsc4)CC3)c2C1=O 14987599 GEBXINMKLKGDKW-UHFFFAOYSA-N 413.499 1.882 0 50 HDAA COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NCC2(O)CCCCC2)c(OC)c1 19740774 NYVPVBPVFINWGB-GOSISDBHSA-N 419.522 1.206 0 50 HDAA CCOC(=O)c1cc(C)nc2c1c(=O)n(CC(=O)Nc1ccc(F)cc1)c(=O)n2C 20168562 PEKFDWXFDUFZCL-UHFFFAOYSA-N 414.393 1.358 0 50 HDAA CCc1csc(CCNC(=O)[C@@H]2CCC(=O)N(CCCN3CCOCC3)C2)n1 23337683 ULOFUEUQMGFENW-MRXNPFEDSA-N 408.568 1.325 0 50 HDAA OC[C@@H]1O[C@H](Nc2ccc(-c3ccc(N[C@@H]4C[C@H](O)[C@@H](CO)O4)cc3)cc2)C[C@@H]1O 101833307 ZFHIYGZRUYXRLI-BPIQYHPVSA-N 416.474 1.114 0 50 HDAA CCC(=O)NCc1cc(S(=O)(=O)N2CCO[C@H](C(=O)C3CC3)C2)ccc1OC 225830554 XXRMWJJRUBJWPO-KRWDZBQOSA-N 410.492 1.090 0 50 HDAA N[C@@H]1CC[C@@H](CCNC(=O)N2CCC(c3nccc(N4CCOCC4)n3)CC2)C1 952894443 QYRXMPAITUVMDM-FUHWJXTLSA-N 402.543 1.720 0 50 HDAA Cc1cc(C[C@@H]2CN(Cc3ccccc3OCCN3CCN(C)CC3)C[C@@H]2O)on1 1704352724 DWAXPEYLWATVEH-IRLDBZIGSA-N 414.550 1.645 0 50 HDAA CN(Cc1cnn(C)c1)C[C@H]1[C@H]2CN(C(=O)Cc3ccc(CO)cc3)C[C@]23CC[C@H]1O3 1704355557 QUHZONSOHCEFLO-JVNMPXIPSA-N 424.545 1.593 0 50 HDAA CC[C@@H]1[C@H](C(=O)NC2Cc3ccccc3C2)C[C@@H]2CN(Cc3cnc[nH]3)CC(=O)N21 1857685489 LEKKWJGKIGNVOE-NJDAHSKKSA-N 407.518 1.505 0 50 HDAA Cc1ccc2nc(N3C[C@H](C(=O)N4CCC(S(N)(=O)=O)CC4)CC3=O)sc2c1 1857722616 KEXOTKUPMIFYIT-GFCCVEGCSA-N 422.532 1.237 0 50 HDAA O=C([C@@H]1CC(=O)N(c2nccs2)C1)N1CCC2(CC1)Nc1ccccc1NC2=O 1857736437 PDNBUNBLIBKLGD-CYBMUJFWSA-N 411.487 1.921 0 50 HDAA Cc1ncn(C)c1-c1nc(-c2ccc(C(N)=O)cc2)nn1[C@H]1CCS(=O)(=O)C1 1857737376 JUSIPIFEBKDLQN-AWEZNQCLSA-N 400.464 1.113 0 50 HDAA COC(=O)c1nccc(N2C[C@@H]3CCN(C(=O)c4cccc(OC(C)C)n4)[C@@H]3C2)n1 1875311870 CPMIKVYPFQYEKA-GOEBONIOSA-N 411.462 1.796 0 50 HDAA Cc1ccn([C@H](C)C(=O)N2CCC[C@H]2Cn2cc(-c3cnc(C(=O)O)nc3)nn2)n1 1875355106 AIPTWAKQGKNXIP-HIFRSBDPSA-N 410.438 1.190 0 50 HDAA C[C@H](OC(=O)NCc1ccc2c(c1)C(=O)N([C@@H]1CCC(=O)NC1=O)C2)C1CSC1 2325901225 YNCVQPHMPHDOME-MEDUHNTESA-N 417.487 1.425 0 50 HDAA COc1ccccc1N1C(=O)C[C@H](N2CCC(C(N)=O)(N3CCCCC3)CC2)C1=O 1481082 DZKHHEZFBBZFNF-KRWDZBQOSA-N 414.506 1.133 0 50 HDAA COC[C@H](C)NC(=O)C1CCN(S(=O)(=O)c2ccc(OC)c(Cl)c2)CC1 5018618 WDIMESOARPTBNJ-LBPRGKRZSA-N 404.916 1.900 0 50 HDAA COc1ccc(CCNC(=O)C[C@H]2C(=O)NCCN2Cc2ccccc2)cc1OC 12432732 FDUBCBXPKMMUIC-IBGZPJMESA-N 411.502 1.753 0 50 HDAA CC(C)CN1C[C@H](OCc2cccc(F)c2)CN(C(=O)Cn2cncn2)CC1=O 14535297 NRNSPXBCFLXOBY-SFHVURJKSA-N 403.458 1.329 0 50 HDAA O=C1CC[C@H](C(=O)N2CCC(CCn3cccn3)CC2)CN1CCN1CCOCC1 19228887 VRGQMMVQYYZEDQ-FQEVSTJZSA-N 417.554 1.083 0 50 HDAA COCCCNC(=O)c1nn(C)c2c1CN(Cc1ccc(C(=O)OC)cc1)CC2 20560790 HIRBEOGUFPOIGY-UHFFFAOYSA-N 400.479 1.531 0 50 HDAA O=C(CC12CC3CC(CC(C3)C1)C2)N1CCN(S(=O)(=O)N2CCOCC2)CC1 44712054 XDQIBCOCBPAXOW-UHFFFAOYSA-N 411.568 1.314 0 50 HDAA CCN1CCN(CCN2CC3(CCN(C(=O)c4ccc(C)nc4)CC3)OC2=O)CC1 77355322 ZEKOZOKBQVAPQO-UHFFFAOYSA-N 415.538 1.455 0 50 HDAA CN(Cc1ncc[nH]1)C(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(CCOc4ccccc4)C(=O)[C@H]13)O2 77485738 SRYSSPAQARYIHB-FUOQNJDISA-N 408.458 1.229 0 50 HDAA CC(=O)N1CCN(Cc2ccc(NC(=O)[C@@H]3CCCN3C3CCOCC3)cc2)CC1 170592316 IUKIHJDWCQCRQR-QFIPXVFZSA-N 414.550 1.933 0 50 HDAA CC(C)COc1cn(-c2ccccc2)nc1C(=O)N1CCC[C@@]2(C1)NC(=O)NC2=O 447754474 AIAWCKBAXPOTDT-NRFANRHFSA-N 411.462 1.721 0 50 HDAA Cn1cc(S(N)(=O)=O)cc1C(=O)N(Cc1ccccc1)C[C@H](O)c1ccco1 752824015 HBCYMYLUCDCZNW-KRWDZBQOSA-N 403.460 1.642 0 50 HDAA O=C(CCc1n[nH]c2c1CCCC2)N[C@@H]1C2CN3CCN(C2)CC1(c1ccccc1)C3 828005882 RLFUAXQLEZVZFR-NTPKGFMYSA-N 419.573 1.905 0 50 HDAA CC(=O)N(Cc1ccsc1)[C@@H]1CC12CCN(C(=O)C1(n3cnnn3)CC1)CC2 952891807 CJEUIDKNUJLBKL-MRXNPFEDSA-N 400.508 1.654 0 50 HDAA O=C(O)CC[C@@]12CN(C(=O)CCc3cnccn3)C[C@@H]1CN(c1nccs1)C2 1772811663 WYFVMUZELGBVIS-KUHUBIRLSA-N 401.492 1.696 0 50 HDAA CO[C@H]1C[C@@H](C(=O)NCc2ncc[nH]2)CC[C@@H]1N=c1cc(C)nc(N2CCCC2)[nH]1 1857707149 GHDKLGBGBISLHW-ULQDDVLXSA-N 413.526 1.442 0 50 HDAA CN(C)C[C@@H]1OCCN(S(=O)(=O)c2ccc(F)c(F)c2)[C@H]1c1cnn(C)c1 1857719927 YSOQIVMHFCNXJT-IRXDYDNUSA-N 400.451 1.391 0 50 HDAA O=C(O)c1cccc(N2CCC3(CCc4c(O)nc(N5CCOCC5)nc43)CC2)n1 1857733072 UEOPDEDPSHYBLG-UHFFFAOYSA-N 411.462 1.596 0 50 HDAA Cn1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)C3(c4c(F)cccc4F)CCC3)C2)cn1 2325829227 CNJLXRWZMVFGIT-HZPDHXFCSA-N 404.417 1.122 0 50 HDAA Cc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(=O)N2CCOCC2)cc1 921453 TXTRYFNHTHJRTD-FQEVSTJZSA-N 400.500 1.969 0 50 HDAA COc1cc(C)c(CN2CCC[C@@H](n3cc(C(=O)N(C)CCO)nn3)C2)cc1C 11788300 GMPVRSULHNPAEW-GOSISDBHSA-N 401.511 1.805 0 50 HDAA COc1ccc(CN2CCc3nnc([C@@H](NS(C)(=O)=O)C(C)C)n3CC2)cc1 12048069 DTIBCVSJIPGATC-SFHVURJKSA-N 407.540 1.591 0 50 HDAA CSC[C@H](C)N1CCC2(CC1)C(=O)N(CC(N)=O)C(=O)N2CCc1ccccc1 14743358 CDGIZOSMWGLYNB-INIZCTEOSA-N 418.563 1.565 0 50 HDAA COc1cc2cc(CNC[C@@H](O)CO)c(=O)n(Cc3ccc(C)cc3)c2cc1OC 14991245 OGHBKYXEQCYJOP-LJQANCHMSA-N 412.486 1.818 0 50 HDAA O=C1C[C@H](Sc2nnc[nH]2)C(=O)N1c1ccc(I)cc1 18285744 KWCMEZRYDCUVGA-VIFPVBQESA-N 400.201 1.834 0 50 HDAA CC(C)c1ccc(N2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N3CCNC(=O)CC3)[C@H]4C2=O)cc1 77426774 QIMIJLXKHDAPTN-USKVXJDGSA-N 409.486 1.445 0 50 HDAA CCCCN1CCN([C@@H](C(=O)NCC2CCN(C)CC2)c2ccccc2)C(=O)C1=O 77470780 QSYICKLQEVKKGG-HXUWFJFHSA-N 414.550 1.657 0 50 HDAA CN1CCN(C[C@@H](O)COc2ccc(CN3CC(N4CCCCC4)C3)cc2)CC1 95521979 VPEQCTFMMPIUPR-JOCHJYFZSA-N 402.583 1.344 0 50 HDAA CCCCc1nc(CN2CCC3(CC2)c2[nH]cnc2CCN3C(=O)COC)c[nH]1 95527720 FPEWQOKGUAGKKZ-UHFFFAOYSA-N 400.527 1.998 0 50 HDAA Cc1noc(C)c1CN1CCc2c(C(=O)N[C@@H](C)c3nc(N)n[nH]3)csc2C1 426394517 GSRJIDWORKGPFZ-JTQLQIEISA-N 401.496 2.103 0 50 HDAA Cc1cc(C(=O)N[C@@H]2CCCN(Cc3cccs3)C2)c2c(O)nc(=O)n(C)c2n1 670454580 IMVBXOMXOVUNMF-CYBMUJFWSA-N 413.503 1.798 0 50 HDAA CN(C)S(=O)(=O)c1ccc(N2CCN([C@H](CO)c3ccc(Cl)cc3)CC2)nc1 1321756995 RVQFKJUDQULGRR-GOSISDBHSA-N 424.954 1.841 0 50 HDAA Cc1[nH]nc(O)c1CC(=O)N1CCC(C2CCN(C(=O)COC(C)C)CC2)CC1 1857738476 JNYQDUHFISYDHA-UHFFFAOYSA-N 406.527 1.868 0 50 HDAA Cc1ccc2cc1OCCNC(=O)C[C@@H]1CC[C@H](CNC2=O)N1Cc1nccn1C 1857740378 HGAOMHBGGIWTIA-ZWKOTPCHSA-N 411.506 1.390 0 50 HDAA Cn1ncc2ncc(C(=O)N3C[C@@H]4OCCC(=O)N(Cc5ccccc5)[C@H]4C3)cc21 2100539769 XLOVQEIASOCRON-PMACEKPBSA-N 405.458 1.610 0 50 HDAA CC(C)Cn1c(CN2CCC([C@H](C)N3CCOCC3)CC2)cnc1S(C)(=O)=O 11936301 NUOJOXZJUOBTOX-KRWDZBQOSA-N 412.600 1.875 0 50 HDAA COCCN(C(=O)C[C@H]1C(=O)NCCN1Cc1cc(OC)cc(OC)c1)C(C)C 12072998 MDMTWBTYZRZCKQ-IBGZPJMESA-N 407.511 1.278 0 50 HDAA COc1ccccc1-c1cc(C(=O)N(C)C[C@H]2COCCO2)cc(-n2cnnn2)c1 14953209 TXWRBUGNCRYTGI-SFHVURJKSA-N 409.446 1.825 0 50 HDAA CCN(CCn1cccn1)Cc1c(C(=O)N2CCCN(C)CC2)nc2sccn12 20119125 ABWHEJSBVKAJRG-UHFFFAOYSA-N 415.567 1.892 0 50 HDAA CN1C(=O)COc2ccc(S(=O)(=O)N3CCN(Cc4ccccc4)CC3)cc21 20220196 NVFXHMHVVTWRIJ-UHFFFAOYSA-N 401.488 1.548 0 50 HDAA Cc1nc(N2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)cc(-n2cccn2)n1 23144455 HBLUNKDBFZDPFC-UHFFFAOYSA-N 420.445 1.760 0 50 HDAA CC(C)NC(=O)C(=O)N1CCC[C@H](N2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 72159412 CJOVOTWIAGCIPK-SFHVURJKSA-N 416.522 1.049 0 50 HDAA Cc1ccc(S(=O)(=O)NCCC(=O)N2CCN(c3ccccc3)C(=O)C2)c(C)c1 170596213 OGWYMFGUDSVWTB-UHFFFAOYSA-N 415.515 1.847 0 50 HDAA CC(=O)Nc1ncc(S(=O)(=O)Nc2nc3ccc(Br)cn3n2)s1 225400906 DJFDDHPMEFUCOA-UHFFFAOYSA-N 417.270 1.708 0 50 HDAA Cc1ccc(-n2nc(C)cc2NS(=O)(=O)c2cnn(-c3ccccn3)c2C)nn1 480007359 SPOXYPYWHOVTHD-UHFFFAOYSA-N 410.463 1.969 0 50 HDAA CCc1noc([C@@H](C)NC(=O)c2c[nH]c3cc(N4CCOCC4)c(F)cc3c2=O)n1 823569287 DXGOYCSBJPARKP-LLVKDONJSA-N 415.425 1.940 0 50 HDAA Cc1nc(O)nc(C)c1CCC(=O)N[C@@H]1C2CN3CCN(C2)CC1(c1ccccc1)C3 828005885 RWSKLPVKPFAQCW-NBTXJNEHSA-N 421.545 1.415 0 50 HDAA O=C(NC[C@H]1CCCN(Cc2cnc(N3CCOCC3)nc2)C1)c1cscn1 828209845 BBSVZPWXDUXVOR-OAHLLOKOSA-N 402.524 1.412 0 50 HDAA CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)N1CCC(C(=O)N3CCOCC3)CC1)C(=O)C2 1258971298 WTHODAGQKDDYMW-JXFKEZNVSA-N 412.552 1.282 0 50 HDAA CC(C)NC(=O)CN(C)CC(=O)N1CCC[C@H](NC(=O)c2ccc(Cl)cc2)C1 1304194789 GEJVTHPJZFKZBM-KRWDZBQOSA-N 408.930 1.517 0 50 HDAA Cc1cc(NC(=O)NCc2ccc(S(N)(=O)=O)s2)ccc1N1CCN(C)CC1 1318772302 TXIQKZOHJRLWMB-UHFFFAOYSA-N 423.564 1.777 0 50 HDAA O=C1C[C@@H](C(=O)N(CCc2ccc(Cl)cc2)C[C@H](O)C(F)(F)F)NC(=O)N1 1468614581 NWOHWGCROHYVKX-RYUDHWBXSA-N 407.776 1.232 0 50 HDAA COc1ccc(S(N)(=O)=O)cc1C(=O)N1CCC[C@H](C(=O)c2ccccn2)C1 1506421631 KMAMSSGTPCSLHZ-ZDUSSCGKSA-N 403.460 1.473 0 50 HDAA COCCn1ccnc1CN1C[C@H]2CN(Cc3ccoc3)C[C@]2(CCC(=O)O)C1 1772709499 HVQXWMRMXUMSQD-WIYYLYMNSA-N 402.495 1.921 0 50 HDAA Cc1ncnc(C)c1C(=O)N1C[C@H]2CN(C(=O)c3cccc(Cl)c3)C[C@@]2(CO)C1 1772711199 RMAIXOMTJGTEOJ-IERDGZPVSA-N 414.893 1.954 0 50 HDAA O=C(O)CC[C@@]12CN(C(=O)CCc3cnccn3)C[C@H]1CN(c1nccs1)C2 1772811664 WYFVMUZELGBVIS-LIRRHRJNSA-N 401.492 1.696 0 50 HDAA O=C(O)CC[C@@]12CN(Cc3nccs3)C[C@@H]1CN(C(=O)Cc1ccncc1)C2 1772817925 JIVCNMCWWVLGHG-UZLBHIALSA-N 400.504 1.906 0 50 HDAA O=C(c1cnc[nH]1)N1CCC[C@](O)(CN2CCC3(CC2)Nc2ccccc2NC3=O)C1 1857739857 WGYSEZIZXVCPGP-NRFANRHFSA-N 424.505 1.276 0 50 HDAA Cc1nscc1-c1cn(-c2ccc3c(c2)C(=O)N([C@H]2CCC(=O)NC2=O)C3)nn1 1875356765 WVXQNINSPXYQKV-INIZCTEOSA-N 408.443 1.460 0 50 HDAA CN(C)C(=O)c1ccc2c(c1)N(C)[C@@H](CC(=O)N[C@H]1CC[C@@H](C(=O)O)CC1)CO2 2100482849 CNSBQSNTVQPONH-IMJJTQAJSA-N 403.479 1.735 0 50 HDAA CCOC(=O)CN(CCc1ccccc1)C(=O)Cn1nc(O)c2ccccc2c1=O 2325706811 MJLBDDZXWRSEHM-UHFFFAOYSA-N 409.442 1.737 0 50 HDAA O=C1CC[C@H](N2Cc3cc(C(=O)Nc4cccc5c4CNC5)ccc3C2=O)C(=O)N1 2325896313 VXMUKWXJJRUYTF-SFHVURJKSA-N 404.426 1.303 0 50 HDAA CC(=O)N1CCCNC(=O)[C@@H]2C[C@@H]3CCCN3[C@@]23C(=O)N(CCC1)c1ccccc13 2356135378 BLBQRKRZCXVFQM-WCAVRKLYSA-N 410.518 1.471 0 50 HDAA Cc1nn(-c2ccc(Br)cc2)c(O)c1C=C1C(=O)NC(=S)NC1=O 1216508 PFAWDVGCOJZFDR-UHFFFAOYSA-N 407.249 1.563 0 50 HDAA O=C(NCc1ccccn1)c1cccc(OC2CCN(C(=O)Cn3cncn3)CC2)c1 12318585 MIUJKJRNYHOTFS-UHFFFAOYSA-N 420.473 1.673 0 50 HDAA O=C(C[C@H]1C(=O)NCCN1C1Cc2ccccc2C1)NCCCOc1cccnc1 12441711 AXBZAPKAUAFLPA-NRFANRHFSA-N 408.502 1.325 0 50 HDAA COCCN1C(=O)N(C)C(=O)C12CCN(C[C@H](C)Cc1ccc3c(c1)OCO3)CC2 14740575 WNHVTACXKOLKQR-MRXNPFEDSA-N 417.506 1.969 0 50 HDAA O=C(CCCn1nnnc1CN1CCOCC1)NCCc1cccc2ccccc12 14948267 BUCSPOXSJRXJDD-UHFFFAOYSA-N 408.506 1.798 0 50 HDAA CCCCN1CCN([C@H](C(=O)NC2CCN(C)CC2)c2ccccc2)C(=O)C1=O 77566408 DGDKZQZXOJPGNK-IBGZPJMESA-N 400.523 1.409 0 50 HDAA COc1cc(N2CCC(N3CCC[C@@H](C(=O)NCc4cccnc4)C3)CC2)ncn1 82087364 AOWQSDMBPWSWRK-GOSISDBHSA-N 410.522 1.877 0 50 HDAA CC[C@@H]1CN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2OC)CCCO1 225601013 BKNDBXGYLXTLSJ-OAHLLOKOSA-N 412.508 1.357 0 50 HDAA CC(C)C[C@H](C(=O)NCc1ccc(-n2cncn2)nc1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O 248291423 TZGVGKBCTOYVDC-KZNAEPCWSA-N 422.489 1.644 0 50 HDAA CC(=O)OC[C@@H]1O[C@H](c2ccccc2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 253916601 RSVDHRRPXRATQV-MFKWGIFDSA-N 408.403 1.485 0 50 HDAA CN1C[C@]23C=C[C@H](O2)[C@H](C(=O)N2CCC4(CC2)OCCc2sccc24)[C@@H]3C1=O 1704339596 NKQYEYVYXXFXRW-WGVRVLLMSA-N 400.500 1.550 0 50 HDAA Cc1ccc(N2N=C(C(=O)NCC(=O)OCc3ccc(Cl)cc3)NCC2=O)cc1 1875259400 HCAVEFBSYQIPLX-UHFFFAOYSA-N 414.849 1.758 0 50 HDAA CN1CC[C@H](C(=O)NCc2ccc(CNc3ncnn4cccc34)cc2F)CC1=O 1875327586 AFMADNWFZVWZNP-HNNXBMFYSA-N 410.453 1.965 0 50 HDAA O=C1CC[C@H](N2Cc3ccc(CN=c4nc(C5CCC5)[nH]s4)cc3C2=O)C(=O)N1 2325898232 XSPQGYPXQHKFLD-HNNXBMFYSA-N 411.487 1.601 0 50 HDAA CCn1cc(S(=O)(=O)N2CCC[C@H](C(=O)N[C@@H](C)c3cn(C)nc3C)C2)c(C)n1 2802246 BDDZMTQQWDMBFZ-BBRMVZONSA-N 422.555 1.531 0 50 HDAA COC(=O)C1CCN(C[C@H](O)COc2ccc(CN(C)Cc3ccno3)cc2)CC1 11818414 AOYRRTUCNNKFAO-IBGZPJMESA-N 417.506 1.931 0 50 HDAA COc1cc(=O)n2c(c1C(=O)NCCCn1ccnc1)CCN(CC=C(C)C)CC2 12151346 WPWHWEMKMYPQLH-UHFFFAOYSA-N 413.522 1.698 0 50 HDAA COc1ccc(CN2CCSCC2)cc1OC[C@H](O)CN1CCCN(C)CC1 19791074 FPBFAJQAPUPFIT-LJQANCHMSA-N 409.596 1.621 0 50 HDAA COC(=O)CCNC(=O)c1cccc(OC2CCN(C3CCN(C)CC3)CC2)c1 19792285 BQEOQYRGCXGWRO-UHFFFAOYSA-N 403.523 1.917 0 50 HDAA CN(Cc1cc(C2CC2)on1)C(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(Cc4cccnc4)C(=O)[C@@H]13)O2 77422698 VXRXNZOQERKOAZ-CLWLKPMESA-N 420.469 1.888 0 50 HDAA COCC(=O)N1CCc2nc[nH]c2C12CCN(Cc1cc(CC(C)C)[nH]n1)CC2 95498461 QGAKMOWIGWAZAN-UHFFFAOYSA-N 400.527 1.854 0 50 HDAA CNC(=O)[C@H]1CCN(C(=O)c2cc(OC)ccc2OC2CCN(C(C)=O)CC2)C1 95521565 FANYEGOFIVZKGS-HNNXBMFYSA-N 403.479 1.293 0 50 HDAA CSCC[C@H](NC(=O)[C@@H](c1ccccc1)n1cnnn1)c1nnc2ccccn12 252488233 INZZMDRFKAQGLB-DOTOQJQBSA-N 408.491 1.916 0 50 HDAA COCCn1ccc2c(OCC(=O)NCc3nnnn3-c3ccccc3)cccc21 263588838 ZDBQOFOIZFLOMZ-UHFFFAOYSA-N 406.446 1.959 0 50 HDAA Cc1ccc(O)c(C(=O)Nc2nc(CC(=O)N3CCC[C@H]3c3nn[nH]n3)cs2)c1 819451352 CZNRLDWFZOZANT-ZDUSSCGKSA-N 413.463 1.829 0 50 HDAA CC(C)Cc1cc(C(=O)N2C[C@H]3CN(Cc4nccs4)C[C@]3(CO)C2)nc(O)n1 1772816270 JSOUQCGPRFGQPF-JLTOFOAXSA-N 417.535 1.404 0 50 HDAA O=C(COc1cccc(CNC(=O)c2ccc3[nH]nc(C(=O)O)c3c2)c1)NC1CC1 1857527087 AQMGPHPCGFEMOE-UHFFFAOYSA-N 408.414 1.849 0 50 HDAA CN(CCc1ncon1)C(=O)[C@H]1CC(=O)N(c2nnc(Cc3ccccc3)s2)C1 1857735884 VHIVCXPAFZWMSL-AWEZNQCLSA-N 412.475 1.566 0 50 HDAA Cc1cc(C(=O)N2CCc3ncc(CNC(=O)[C@H]4CCCN(C)C4)cc3C2)n(C)n1 1875244525 SXEYTXYLUBAAFA-KRWDZBQOSA-N 410.522 1.280 0 50 HDAA C[C@@H](NC(=O)C(=O)NCCN1C(=O)CCC1=O)c1ccc(Oc2ccccc2)cc1 1875257638 GYGSQXGPYCWJPU-OAHLLOKOSA-N 409.442 1.921 0 50 HDAA CCc1ccc([C@H](O)CN(Cc2ccccc2)C(=O)Cn2ccc(=O)n(C)c2=O)cc1 1875262637 BZEDXXKLYUAKFE-OAQYLSRUSA-N 421.497 1.872 0 50 HDAA O=C(N=c1ccn(CCN2CCNC2=O)[nH]1)Nc1cccc(=Nc2ccccc2)[nH]1 1875327886 OMXWSYFZHIJGMX-UHFFFAOYSA-N 406.450 1.535 0 50 HDAA CC(=O)N1CSC[C@@H]1C(=O)N[C@H](CNC(=O)c1nc2cnccc2s1)C(C)C 1875346094 SHSOWXGJOVCABC-TZMCWYRMSA-N 421.548 1.483 0 50 HDAA COC(=O)c1ccc(C(=O)OC)c(NC(=O)CCN2C(=O)c3ccccc3C2=O)c1 864984 VGHHSFAKYDEEQK-UHFFFAOYSA-N 410.382 1.885 0 50 HDAA COC(=O)C1=C(C)N=c2s/c(=C/c3cccnc3)c(=O)n2[C@@H]1c1ccc(OC)cc1 8637250 GIRAYBXADBCHMC-GTENMVSRSA-N 421.478 1.812 0 50 HDAA COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NCc2nc(C)cs2)c(F)c1 12744188 BVCXUCGCMSSUMB-INIZCTEOSA-N 406.483 1.606 0 50 HDAA COc1ccc(S(=O)(=O)NC[C@@H]2CCCN(C(=O)C3=C(C)OCCO3)C2)cc1 15074114 MZKHSINLNPWURG-HNNXBMFYSA-N 410.492 1.490 0 50 HDAA O=C(CSc1nc(=O)c2c3c(sc2[nH]1)CCCC3)N1CCN(CCO)CC1 17056493 DNSCDNGYNCMXJJ-UHFFFAOYSA-N 408.549 1.092 0 50 HDAA NS(=O)(=O)c1ccc(CCN[C@H]2CC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1 19791079 NFCPJMVIXFKRKY-KRWDZBQOSA-N 421.906 1.447 0 50 HDAA Cc1cc(C)n(-c2cc(N3CCN(S(=O)(=O)c4ccccc4F)CC3)ncn2)n1 65365185 ZFMPUGSABZZTQW-UHFFFAOYSA-N 416.482 1.929 0 50 HDAA Cc1cccc(S(=O)(=O)N2CCN(c3cc(N4CCN(C)CC4)ncn3)CC2)c1 72117348 BKFSQPYCFBLTBN-UHFFFAOYSA-N 416.551 1.048 0 50 HDAA Cc1cnc(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N3CC(c5cccnc5)C3)[C@H]4C2=O)cn1 77470502 LOLCOOQTVSPLDG-SRYPRDQNSA-N 417.469 1.088 0 50 HDAA CN(C(=O)CN1CCc2n[nH]c(=O)cc2C1)c1ccccc1C(=O)NCc1ccco1 170599698 XCHFWBOTNVDPBB-UHFFFAOYSA-N 421.457 1.314 0 50 HDAA COc1ccc(N2C(=O)[C@@H](CC(=O)NC3CCN(C(=O)C4CC4)CC3)N=C2O)cc1 252493987 NIAFLROBJKFJJN-QGZVFWFLSA-N 414.462 1.232 0 50 HDAA O=C(Nc1ccc(OC(F)F)c(F)c1)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1 253424892 MBGMOVLHDZKLGC-UHFFFAOYSA-N 419.385 1.689 0 50 HDAA COc1ccc(CN2C(=O)[C@@H](CCC(=O)N[C@@H](CO)CCSC)N=C2O)cc1 253535655 AOKTYIFAFMAFTA-GDBMZVCRSA-N 409.508 1.330 0 50 HDAA CN(Cc1cscn1)C(=O)Cn1nnnc1[C@@H](c1ccccc1)N1CCOCC1 827887348 BSLBKOMTVGKOAE-GOSISDBHSA-N 413.507 1.210 0 50 HDAA CC(=O)c1c(C)nn(CCC(=O)NC23C[C@@H]4C[C@H](C2)CC(n2ncnn2)(C4)C3)c1C 828003497 IWIWVFVWXKAHSM-AGXSTUJCSA-N 411.510 1.943 0 50 HDAA Cc1cccc(N2CCN(CC(=O)N(Cc3ccncc3)C[C@@H]3CCC(=O)N3)CC2)c1 1506427017 UPVXQICZCXJXFE-NRFANRHFSA-N 421.545 1.819 0 50 HDAA Cc1cc(C(=O)N[C@@H]2CN3CCCC[C@]3(C(=O)NC[C@@H]3CCCO3)C2)cc(C)n1 1857685674 OVMUKATXPQOMMQ-CNNODRBYSA-N 400.523 1.720 0 50 HDAA O=C(O)c1ncsc1S(=O)(=O)N[C@@H]1COc2ccc(Br)cc2C1 2325851594 DGBBZWUCEOSCJX-VIFPVBQESA-N 419.278 1.886 0 50 HDAA C[C@@H](c1nc(=N)[nH]c(=Nc2ccccc2)[nH]1)N1CCC(C[C@H]2CC(=O)NC2=O)CC1 2325877987 AXJUEJZBLSAQOF-ZFWWWQNUSA-N 409.494 1.275 0 50 HDAA CCO[C@H]1C[C@H](OC(=O)NCc2ccc3c(c2)C(=O)N([C@@H]2CCC(=O)NC2=O)C3)C1 2325886808 KGLFBXFULMXWFZ-BFYDXBDKSA-N 415.446 1.241 0 50 HDAA CC(=O)c1cccc(COc2ccc3c(c2)C(=O)N([C@@H]2CCC(=O)NC2=O)C3=O)c1 2325897725 GCSHODDYIBLPBU-GOSISDBHSA-N 406.394 1.869 0 50 HDAA Cc1noc(C)c1CC(=O)N1CCC(n2nccc2NC(=O)[C@@H]2CCOC2)CC1 12055194 AGYBZVODDAIWGO-OAHLLOKOSA-N 401.467 1.869 0 50 HDAA COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NCCn2nc(C)cc2C)c(F)c1 12431594 AEDBBGZYIRHFLK-LJQANCHMSA-N 417.485 1.155 0 50 HDAA CN1CCN(C(=O)c2cn(CCCNC(=O)Cc3cccc4ccccc34)nn2)CC1 14973342 SQURFRDOODUELF-UHFFFAOYSA-N 420.517 1.568 0 50 HDAA Cn1c(=O)[nH]c(=O)c2c1n1c(-c3ccc(OCc4ccccc4)cc3)nnc1n2C 15390731 ARQTXRNYHPIGOE-UHFFFAOYSA-N 402.414 1.854 0 50 HDAA O=C(C[C@@H]1C(=O)NCCN1Cc1ccc(Cl)c(F)c1)NCC1(O)CCCCC1 20541524 JAEAMYFCOSGEML-QGZVFWFLSA-N 411.905 1.981 0 50 HDAA O=C([C@H]1CCCO1)N1CCc2ccc(S(=O)(=O)NCCc3ccccn3)cc2C1 77471663 LDDCNQKFEFXAPH-HXUWFJFHSA-N 415.515 1.666 0 50 HDAA CN(C(=O)c1ccc(S(=O)(=O)N2C[C@@H]3C[C@H]4C[C@H]3[C@@H]2[C@@H]4O)cc1)c1ccccn1 328599469 SGISGRRYVDJQST-JGKKSEDXSA-N 413.499 1.748 0 50 HDAA Cc1cc(C(=O)N[C@@H]2CCCN(C(=O)c3ccco3)C2)cc(S(N)(=O)=O)c1C 670444662 MDEXEVWERZOVPF-OAHLLOKOSA-N 405.476 1.578 0 50 HDAA Cc1cc2nc(C(=O)Nc3c(C)nn([C@@H]4CCS(=O)(=O)C4)c3C)cc(C)n2n1 1529151910 HAKBHNBHEYGZKU-CQSZACIVSA-N 402.480 1.771 0 50 HDAA COc1nc2c(cc1C(=O)N1CCO[C@@H]3C[C@H](CO)C[C@@H]31)C(=O)N(C1CCCC1)C2 1857729736 FSLGZQQDCFZKGL-ZNZDAUKMSA-N 415.490 1.601 0 50 HDAA O=C(Nc1cnn(-c2ccccc2Br)c1)C(=O)N1[C@H]2CC[C@H]1C(=O)NC2 2325819144 WDXREMYSRDEGBL-FZMZJTMJSA-N 418.251 1.063 0 50 HDAA Cc1nc(N2C[C@@H](O)[C@]3(C2)[C@H](c2ccccc2)[C@H]3CNC(=O)Cc2cc[nH]n2)no1 2356138459 MNMIGNPIDLDZDW-VGUOSERISA-N 408.462 1.041 0 50 HDAA Cc1ccc(CN2CCN(C(=O)C[C@@H]3C(=O)NCCN3CC(C)(C)C)CC2=O)cc1 11842860 PYQWXQVSVFWULE-LJQANCHMSA-N 414.550 1.402 0 50 HDAA COc1ccc(S(=O)(=O)NCCNc2ccc(-n3cccn3)nn2)cc1Cl 65364769 AGBBIDNYYFIZAB-UHFFFAOYSA-N 408.871 1.715 0 50 HDAA Cc1ccc(C)c(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N3CCc5n[nH]cc5C3)[C@H]4C2=O)c1 77440062 UYEJSHGRRDBSAQ-CIEVZJJWSA-N 418.497 1.893 0 50 HDAA COc1ccccc1C(=O)NC1CCN(C(=O)c2cc3c(=O)[nH]c(C)cn3n2)CC1 169777028 QGSFZDZUXQAJAS-UHFFFAOYSA-N 409.446 1.374 0 50 HDAA N[C@@H](Cc1ccccc1)C(=O)NC[C@H]1CC[C@H](C(=O)N2CCC[C@H]2C(=O)O)CC1 248097112 YJDBZZOJZMQULO-VJANTYMQSA-N 401.507 1.555 0 50 HDAA biogenic Cc1nncn1CCN1CCC(N2C[C@@H](COc3ccc(F)cc3)OCC2=O)CC1 299799797 SOPJDSCBIHTBQY-FQEVSTJZSA-N 417.485 1.496 0 50 HDAA Cn1ccnc1[C@H](NC(=O)C[C@H]1NC(=O)c2ccccc2NC1=O)c1ccccc1 886025701 VQYKPXPCYQVCTK-IEBWSBKVSA-N 403.442 1.767 0 50 HDAA CN1C[C@H]2CN(c3cc4c(nn3)CCN(C(=O)[C@@H]3CCCCCC[C@H]3N)C4)C[C@H]2C1 952891025 SOEOWHLSPBSVMA-IYWMVGAKSA-N 412.582 1.657 0 50 HDAA COc1ccc2c(c1)CCOC21CCN(C(=O)COc2ccc3nncn3n2)CC1 1704337454 ZQUOQZQBAARNAV-UHFFFAOYSA-N 409.446 1.602 0 50 HDAA Cc1cc(S(=O)(=O)N2C[C@H]3CN(Cc4[nH]cnc4C)C[C@]3(CO)C2)c(C)s1 1772808500 RXPBXVFQVJNLMT-CRAIPNDOSA-N 410.565 1.511 0 50 HDAA O=C(c1cccnc1)N1CCC(N2C[C@H](O)[C@]3(C2)[C@H](c2ccccc2)[C@H]3CO)CC1 1857724567 HYKVPFOTSQYPSW-JTOYRKQZSA-N 407.514 1.755 0 50 HDAA CC(C)N1CCO[C@@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H]2CCCO[C@H]2C)C1 1875316661 FVPPSNHLOFJJKE-AXGBLAMUSA-N 407.555 1.549 0 50 HDAA O=C(NC[C@H]1CC(F)(F)CN1C(=O)c1cc(O)ccc1F)c1csc(O)n1 1875331155 RSTOPUHVYVNDGF-MRVPVSSYSA-N 401.366 1.973 0 50 HDAA O=C1CC[C@@H](N2Cc3cc(-n4cc(-c5cncc(Cl)c5)nn4)ccc3C2=O)C(=O)N1 1875355401 JNFWAYLXHPSDSX-QGZVFWFLSA-N 422.832 1.744 0 50 HDAA O=C(Cc1c[nH]c2c(Br)cccc12)NCCN1CCCS1(=O)=O 2325820245 JOXDVZGDEPFLNG-UHFFFAOYSA-N 400.298 1.625 0 50 HDAA CCCc1nnc(N2C[C@H](C(=O)N3CCc4nc(C5CC5)nn4CC3)CC2=O)s1 2356136482 WPVURWOEAIHUML-CYBMUJFWSA-N 415.523 1.397 0 50 HDAA Cn1cc(S(=O)(=O)N2CCN(C(=O)c3cc(Br)cs3)CC2)cn1 2731274 UYYXNDLOXGENOV-UHFFFAOYSA-N 419.326 1.391 0 50 HDAA COc1ccccc1CNC(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 3312032 YSQBPZOLHRSBQH-UHFFFAOYSA-N 404.488 1.955 0 50 HDAA O=C(c1ccco1)N1CCN(C(=O)c2cnn3cc(Br)cnc23)CC1 4810580 BRUOWZMEUNQSQY-UHFFFAOYSA-N 404.224 1.683 0 50 HDAA O=C(c1ccc(Br)o1)N1CCN(c2ccc(-n3cccn3)nn2)CC1 13008871 IBVHGXSNCXJPOM-UHFFFAOYSA-N 403.240 1.980 0 50 HDAA Cc1c(C(=O)N2CCC[C@H]2CO)sc2ncnc(NCCN3CCOCC3)c12 20774704 GIEKDBOFNHGWJK-AWEZNQCLSA-N 405.524 1.341 0 50 HDAA CCN1CCN(C[C@@H](O)COc2cccc(CNCCCn3cccn3)c2)CC1 22913460 MFYWIXZOYAFCQP-OAQYLSRUSA-N 401.555 1.440 0 50 HDAA CN1CCC(N(C)C(=O)C[C@@H]2C(=O)NCCN2Cc2ccc(F)cc2Cl)CC1 55182565 ALQBUCZCVNFTJM-GOSISDBHSA-N 410.921 1.722 0 50 HDAA Cc1cc(N2CCN(C(=O)c3c(F)cccc3F)CC2)nc(N2CCOCC2)n1 64799863 WTEYCWHXZKPODE-UHFFFAOYSA-N 403.433 1.862 0 50 HDAA O=C(c1ccc(Br)o1)N1CCN(c2cc(-n3ccnc3)ncn2)CC1 67622038 QIWWSQSIZJRKHQ-UHFFFAOYSA-N 403.240 1.980 0 50 HDAA CN(CCn1cccn1)C(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(Cc4ccc(F)cc4)C(=O)[C@H]13)O2 77438941 JKUHESCQGSFEPY-OZIGNCPNSA-N 410.449 1.463 0 50 HDAA O=C1NC[C@@H]2[C@H]1CCCN2C(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1 170608575 UKVBTWMVHVBUMD-QZTJIDSGSA-N 405.520 1.602 0 50 HDAA COc1ccc([C@H](CO)N(C)S(=O)(=O)c2ccc3nc(O)nc(O)c3c2)cc1 443262837 OEMSIOWWMAEKOP-INIZCTEOSA-N 405.432 1.404 0 50 HDAA COc1ccc(S(C)(=O)=O)cc1C(=O)N[C@H]1CCN(Cc2ccccc2)C1=O 479639063 KPFRTGWHARJTSU-KRWDZBQOSA-N 402.472 1.630 0 50 HDAA Cn1nc(-c2ccccc2)c2c(NC(=O)C3=CN4CCS(=O)(=O)N=C4C=C3)[nH]nc21 734470753 JUPHUERBPWXKLE-UHFFFAOYSA-N 423.458 1.400 0 50 HDAA COc1cc(-n2cnnn2)ccc1NC(=O)c1ccc(C(=O)N2CCOCC2)cc1 952962131 BOJMJBWBORBDBI-UHFFFAOYSA-N 408.418 1.396 0 50 HDAA COc1ccc(CC(=O)O)cc1S(=O)(=O)N1CCC2(CC1)C[C@](C)(O)CCO2 1704337900 HMQALGIFNTZJLF-GOSISDBHSA-N 413.492 1.407 0 50 HDAA COCCNC(=O)[C@@]12CCCN(C(=O)Cc3ccc(C)c(F)c3)[C@H]1CN(C)CC2 1775976470 AFZOBRLDCYIXII-SIKLNZKXSA-N 405.514 1.752 0 50 HDAA C[C@H](C(=O)Nc1ncccn1)N1C[C@@H]2CN(C(=O)c3cc4cnccc4[nH]3)C[C@]2(C)C1 1875332324 OTMTXHXAKVNLEA-YGHRGLEHSA-N 419.489 1.774 0 50 HDAA C=CC(=O)N1CCC(C(=O)N2CCO[C@@H](c3ccc(S(C)(=O)=O)cc3)C2)CC1 1875369620 ZAQOLXHZBBPLHS-GOSISDBHSA-N 406.504 1.415 0 50 HDAA O=C1[C@H]2[C@@H](C(=O)N3[C@H]4CC[C@@H]3C[C@@H](CO)C4)[C@H]3C=C[C@]2(CN1Cc1ccccn1)O3 2100547127 BTWHDHVTXRUDLX-ZHPQLEAGSA-N 409.486 1.126 0 50 HDAA CN(C(=O)[C@@H](O)CC(C)(C)C)C1CN(C(=O)c2cccc(NS(C)(=O)=O)c2)C1 2325828060 XWDPGAQFWAZXBD-INIZCTEOSA-N 411.524 1.138 0 50 HDAA COc1cc(O)c(Cl)c2c1C(=O)O[C@@H](C)CC[C@@]1(O)CC[C@@H](O)[C@@H](O1)C(=O)C2 2332925070 RULRWFRHJIEKGR-BOEIDBKSSA-N 414.838 1.733 0 50 HDAA COCC(=O)N1C[C@H](O)[C@]2(C1)[C@H](c1ccccc1)[C@H]2CNC(=O)c1oc(C)nc1C 2356169894 KTPRPSHEPYLLQB-ZRAXVTTISA-N 413.474 1.271 0 50 HDAA CCOC(=O)Cn1c(C)cn2c3c(=O)n(Cc4ccccc4F)c(=O)n(C)c3nc12 10233583 NXBGUPCZMGCRQH-UHFFFAOYSA-N 413.409 1.208 0 50 HDAA CCc1ccc(C(=O)N[C@H]2C[C@H]3C(=O)N[C@@H](Cc4ccc(O)cc4)C(=O)N3C2)cc1 14740823 RVQZMFQNLUUDAV-IHPCNDPISA-N 407.470 1.395 0 50 HDAA COc1ccc(CC(=O)N2CCN(c3cc(C)nc(N4CCOCC4)n3)CC2)cc1 65361937 WLFZULMTQYSPDU-UHFFFAOYSA-N 411.506 1.522 0 50 HDAA CN1C[C@@H](C(=O)N2CCc3c(c(C(=O)O)nn3CCCc3ccccc3)C2)CC1=O 67691246 CZKVQHRBJJLHTG-INIZCTEOSA-N 410.474 1.577 0 50 HDAA Cc1nnc(NS(=O)(=O)c2ccc3c(c2)CN(C(=O)[C@@H]2CCOC2)CC3)s1 77357588 ZWVRCTYJKAOFRU-CYBMUJFWSA-N 408.505 1.569 0 50 HDAA FC(F)(F)[C@@]1(c2nc(-c3ccccn3)no2)CCN(c2nccn3nnnc23)C1 952892893 JITVUCQRLKZSBE-HNNXBMFYSA-N 403.328 1.675 0 50 HDAA CCC(=O)N[C@]1(C)CCOC2(CCN(c3ncc(C(=O)O)cc3Cl)CC2)[C@H]1O 1772711749 FOCFXCVMKLKPAH-ZWKOTPCHSA-N 411.886 1.838 0 50 HDAA O=C(Cc1cccnc1)N[C@@H]1CN2CCCC[C@@]2(C(=O)N[C@H]2CC[C@H](O)CC2)C1 1857695084 SWQMYMMLOLUKRM-OZIGNCPNSA-N 400.523 1.157 0 50 HDAA COC(C)(C)C(=O)N1[C@H]2CC[C@@H]1CNC(=O)c1cc(F)ccc1OCCNC(=O)C2 1857710925 BGEMVAIJDFFLIL-LSDHHAIUSA-N 421.469 1.239 0 50 HDAA COc1ccc(CNC(=O)[C@@H]2C[C@H](O)[C@@H](NC(=O)CCCn3cccn3)C2)cc1 1875246947 HVBFVSUBVPVDKV-WDSOQIARSA-N 400.479 1.244 0 50 HDAA Cc1c(C(=O)Nc2cccc(NC(=O)NCCC(N)=O)c2)sc2[nH]cnc(=O)c12 2325863043 SAQKXYRGLZJNCD-UHFFFAOYSA-N 414.447 1.542 0 50 HDAA CCOC(=O)c1ccc(NC(=O)[C@@H](C)Sc2nc(O)c(NC(C)=O)c(=O)[nH]2)cc1 10059007 YVVHOSPYNDWZTM-SECBINFHSA-N 420.447 1.730 0 50 HDAA COCCNC(=O)c1nn(CCC(C)C)c2c1CN(C(=O)c1cc(C)nn1C)CC2 14742580 GBPQLUXHKDHYOA-UHFFFAOYSA-N 416.526 1.546 0 50 HDAA CCN1CCC[C@H]1CNC(=O)C(=O)N[C@@H]1C(=O)N(Cc2ccccc2)c2ccccc21 137288873 VRCLJQBGOBULPA-RXVVDRJESA-N 420.513 1.991 0 50 HDAA COCN1C(=O)CCc2cc(NS(=O)(=O)c3cccc(-n4cnnn4)c3)ccc21 170603677 BPBNSTSTIQABGM-UHFFFAOYSA-N 414.447 1.346 0 50 HDAA NS(=O)(=O)c1ccc(C(=O)NCC2(N3CCCCC3)CCOCC2)c(Cl)c1 225505179 SUBHUSCEQMIXHK-UHFFFAOYSA-N 415.943 1.752 0 50 HDAA COc1ccc(CN2C(=O)[C@H](CCC(=O)N[C@@H](CO)c3ccccc3)N=C2O)cc1 252569057 VVXQADZSYSIAAW-OALUTQOASA-N 411.458 1.950 0 50 HDAA Nc1nc2c(c(C(=O)N[C@@H]3C4CN5CCN(C4)CC3(c3ccccc3)C5)n1)CCCC2 827587384 RXNCMFCWZPPTFP-BFDGSKQISA-N 418.545 1.235 0 50 HDAA CN1CC(=O)N(CC(=O)N2CCC[C@]3(CCc4cnc(-c5ccccc5)nc43)C2)C1=O 1704297386 PGUXMGNXBRGHGY-QHCPKHFHSA-N 419.485 1.844 0 50 HDAA CNC(=O)CN1C[C@@H]2CN(C(=O)c3nsnc3C)C[C@]2(CCc2ccccc2)C1 1772707339 YGVZNSPIQKABMD-UTKZUKDTSA-N 413.547 1.599 0 50 HDAA CCCCc1nc(CN2C[C@@H]3COC[C@]3(C(=O)NCc3cc[nH]n3)C2)c(Cl)[nH]1 1857685764 SIOWETIPGJPIID-BFUOFWGJSA-N 406.918 1.894 0 50 HDAA O=C(c1cccn2cnnc12)N1CCO[C@@H](CN2CCOCC2)[C@@H]1c1cccnc1 1857716719 FAZMZBDLPARSCB-OALUTQOASA-N 408.462 1.039 0 50 HDAA Cn1nc(-c2ccccc2)cc1C(=O)N[C@H]1CCC[C@H]2CN(S(C)(=O)=O)C[C@@H]12 1857729100 VTOOHOYHLOJOSV-BBWFWOEESA-N 402.520 1.877 0 50 HDAA CN(C)CCn1ccc2cc(NC(=O)NC3CCN(c4nnnn4C)CC3)ccc21 1875259796 NNBNUTSGFXWHOA-UHFFFAOYSA-N 411.514 1.517 0 50 HDAA C[C@]1(C(=O)NC[C@H](NC(=O)[C@H]2CCc3ccccc32)C2CC2)CCCNS1(=O)=O 1875345263 UBRSAWCFKNVCFO-BBTUJRGHSA-N 419.547 1.199 0 50 HDAA CN(C(=O)[C@H](O)CC(C)(C)C)C1CN(C(=O)c2cccc(NS(C)(=O)=O)c2)C1 2325828061 XWDPGAQFWAZXBD-MRXNPFEDSA-N 411.524 1.138 0 50 HDAA CN[C@@H](C(=O)N[C@@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)OC)c1cnn(C)c1 2325851024 NFHOXQPIVFEFQD-LSDHHAIUSA-N 414.384 1.480 0 50 HDAA O=C([C@H]1C[C@H]2CCCN2[C@]12C(=O)Nc1ccccc12)N1CCC(n2cnnc2)CC1 2356158133 XZKUDYDUMZLZSS-CDMIOBSGSA-N 406.490 1.774 0 50 HDAA O=C1C(Cl)=C(N2CCOCC2)C(=O)N1c1ccc(I)cc1 719436 UPEGKTVZONPVAA-UHFFFAOYSA-N 418.618 1.947 0 50 HDAA COCCN1C(=O)C[C@@](CC(=O)N2CCC(C)CC2)(c2cccc(OC)c2)C1=O 12210547 JAAPANZTUQRTIR-QFIPXVFZSA-N 402.491 1.987 0 50 HDAA COc1ccc(-c2cn3cc(C(=O)N4CCC[C@H](CO)C4)nc3c(=O)n2C)c(F)c1 72424735 RIKJNUDFYQJPTR-ZDUSSCGKSA-N 414.437 1.692 0 50 HDAA C[C@@H](Cn1cccn1)NC(=O)C(=O)NCc1ccc(N2CCc3ccccc3C2)nc1 253407654 HRMGKIPTXXEVTL-KRWDZBQOSA-N 418.501 1.662 0 50 HDAA CC(CNC(=O)c1cc2n(n1)C[C@H](O)CNC2=O)(c1ccccc1)c1ccccc1 426438954 XIYAGCVKLMVMCP-GOSISDBHSA-N 404.470 1.723 0 50 HDAA Cc1ccccc1[C@@H](CC(=O)N1CCN(c2nccn3cnnc23)[C@H](C)C1)NC(N)=O 433555841 WJWZJTHYDXRZMJ-NVXWUHKLSA-N 422.493 1.270 0 50 HDAA CCC1(CC)CN(C(=O)C(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)CC[S@@]1=O 469617855 PYZSLCXQDBMJCA-NDEPHWFRSA-N 405.476 1.001 0 50 HDAA O=C(CC[C@H]1NC(=O)c2ccccc2NC1=O)NCCc1nc(-c2ccccn2)no1 888089705 AARKHTYPMWBDRF-MRXNPFEDSA-N 420.429 1.321 0 50 HDAA O=C(CCC(=O)N1CC[C@@H](c2ccc3c(c2)OCO3)[C@H](O)C1)Nc1nncs1 952973159 BPOHWZLRKVGNHA-QWHCGFSZSA-N 404.448 1.363 0 50 HDAA CN(CCO)C1CCN(C(=O)c2c(N3CCOCC3)noc2-c2ccccc2)CC1 1704312665 HOAKYCOULNWURY-UHFFFAOYSA-N 414.506 1.707 0 50 HDAA CC(C)Cc1cc(C(=O)N2C[C@@H]3CN(Cc4nccs4)C[C@]3(CO)C2)nc(O)n1 1772816272 JSOUQCGPRFGQPF-VBKZILBWSA-N 417.535 1.404 0 50 HDAA CCS(=O)(=O)N1C[C@@H]2[C@H](CNC(=O)COc3ccccc3C)[C@H]3CC[C@]2(C1)O3 1857718310 SHKCJPXAJVGGSB-IXIUHKBRSA-N 408.520 1.319 0 50 HDAA CCN1C[C@@H](C(=O)N2CCC[C@H](NC(=O)c3cccc(C(N)=O)c3)CC2)CCC1=O 2325864755 ZDHKACYEBNTGRW-ROUUACIJSA-N 414.506 1.155 0 50 HDAA C=CC(=O)N1CCC[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)C1 2325889414 ONPJWERLCHKMCP-GOSISDBHSA-N 419.547 1.561 0 50 HDAA O=C(COc1ccc(S(=O)(=O)N2CCCC2)cc1Cl)NC[C@@H]1CCCO1 2874518 AHBZHCHJNGPMOC-ZDUSSCGKSA-N 402.900 1.799 0 50 HDAA O=C1CCC(C(=O)NC[C@H]2CCC3(CCN(Cc4ccc(F)cc4)CC3)O2)=NN1 11838845 CJPNAVPNYLBGRD-QGZVFWFLSA-N 402.470 1.722 0 50 HDAA COCCNC(=O)c1nn(CCC(C)C)c2c1CN(C(=O)c1cc(C)[nH]n1)CC2 14748958 SKJDPTPZDHNUKU-UHFFFAOYSA-N 402.499 1.535 0 50 HDAA COC(=O)c1ccc(CNC(=O)C[C@H]2C(=O)NCCN2Cc2cccs2)cc1 55036772 FPISYPNHGNSRCM-KRWDZBQOSA-N 401.488 1.542 0 50 HDAA Cc1cc(N2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)nc(N2CCOCC2)n1 64799888 NFLPODUULYRUKI-UHFFFAOYSA-N 411.462 1.313 0 50 HDAA Cc1cc(F)ccc1N1C[C@]23C=C[C@H](O2)[C@@H](C(=O)N(C)Cc2cnccn2)[C@@H]3C1=O 77337119 IWCTXMQXEQZFBS-JYLXEMOASA-N 408.433 1.869 0 50 HDAA C[C@H]1CNC(=O)CCN1C(=O)c1cnc(COc2ccc(C(C)(C)C)cc2)[nH]c1=O 92038168 WAQANKRZMFLYGD-AWEZNQCLSA-N 412.490 1.997 0 50 HDAA C[C@H](OC(=O)CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)C(=O)NC(=O)NC1CCCCC1 239432954 WZGDENJXKQQFIY-NUEKZKHPSA-N 421.494 1.642 0 50 HDAA O=C1CCCN1Cc1ccc(C(=O)N2CCC[C@@H](N3CCCS3(=O)=O)C2)cc1 469344145 WKJIWNSMDKHCFP-GOSISDBHSA-N 405.520 1.449 0 50 HDAA Cc1ccc(Nc2cccc(C(=O)O[C@H](C)C(=O)N3CCC[C@@H](C(N)=O)C3)c2)nn1 736876490 JWLHIINQJOYNDZ-GDBMZVCRSA-N 411.462 1.798 0 50 HDAA O=C(CCn1cnc2ccccc2c1=O)NC12C[C@@H]3C[C@H](C1)CC(n1ncnn1)(C3)C2 828003456 DKMMBWFZLAKTJZ-MBWAJUJLSA-N 419.489 1.637 0 50 HDAA CCc1noc(NC(=O)Cn2nnnc2[C@@H](c2ccccc2)N2CCOCC2)c1C 1529124957 BGBAPDZWDKZFMQ-GOSISDBHSA-N 411.466 1.592 0 50 HDAA CSCC(=O)N1C[C@@H]2CN(Cc3cc(C(N)=O)oc3C(C)(C)C)C[C@@]2(CO)C1 1772712831 RBHIJKKPMVAUTJ-XOBRGWDASA-N 409.552 1.292 0 50 HDAA CN1CCn2nc(-c3nc([C@H](O)c4ccccc4)nn3-c3ccnn3C)cc2C1=O 1857676998 OVNGKJFUEKOMLK-QGZVFWFLSA-N 404.434 1.032 0 50 HDAA Cc1cc(N2CCC(N3C[C@H](COc4ccc(F)cc4)OCC3=O)CC2)nc(=N)[nH]1 1857686115 IOUIDESLRJBIOI-GOSISDBHSA-N 415.469 1.612 0 50 HDAA O=C(NCCCn1cccn1)[C@H]1CC(=O)N(c2nnc(Cc3ccccc3)s2)C1 1857709161 IPNSENFDDCSRRA-INIZCTEOSA-N 410.503 1.885 0 50 HDAA COCCn1cnnc1CCN=c1[nH]oc(-c2ccc(F)c(OC)c2)c1C(=O)O 2356154003 DHAWIFWUJRNPOJ-UHFFFAOYSA-N 405.386 1.502 0 50 HDAA COc1cc(C(=O)NCCCN2CCC[C@H](O)C2)ccc1OC1CCN(C)CC1 14968217 QUWDGQCQKOHJHK-SFHVURJKSA-N 405.539 1.745 0 50 HDAA COC(=O)CN(C)C(=O)C[C@@H]1C(=O)NCCN1Cc1ccc(-c2ccccc2)cc1 15063481 WYNQIUCTIORQIJ-HXUWFJFHSA-N 409.486 1.676 0 50 HDAA O=C1NCCN(Cc2cccs2)[C@H]1CC(=O)N1CCN(Cc2cccnc2)CC1 19221941 ZSZGYVHZALFAGN-IBGZPJMESA-N 413.547 1.178 0 50 HDAA CCCCn1c(CN2CCN(CC(=O)NC(C)C)CC2)cnc1S(=O)(=O)CC 20137001 VGSBRMFOYVAFAT-UHFFFAOYSA-N 413.588 1.119 0 50 HDAA COc1cc(CN2CCNC(=O)[C@@H]2CC(=O)NCCc2cccnc2)cc(OC)c1 20599616 WCIOZKINJRVYOL-FQEVSTJZSA-N 412.490 1.148 0 50 HDAA COc1ccc(CN2CCC(CCO)CC2)cc1OC[C@H](O)CN1CCN(C)CC1 23375372 NEMIYFIDGWWJDF-OAQYLSRUSA-N 421.582 1.277 0 50 HDAA CCOC(=O)[C@@H]1[C@@H](c2ccc(O)c(OCC)c2)NC(=S)N[C@]1(O)C(F)(F)F 238882036 BXEOZHQTYFFOSS-YWPYICTPSA-N 408.398 1.740 0 50 HDAA COC(=O)CC1CCN(C(=O)C[C@H]2N=C(O)N(Cc3ccccc3OC)C2=O)CC1 252518111 AATJHLZYIYAZQC-MRXNPFEDSA-N 417.462 1.512 0 50 HDAA Cc1ccc(S(=O)(=O)N2CCC[C@H](n3ncc(N4CCC4)cc3=O)C2)c(F)c1 328607368 VYGUXEDTEPQOAH-HNNXBMFYSA-N 406.483 1.927 0 50 HDAA CCc1sc(NC(=O)CC[C@@H]2NC(=O)c3ccccc3NC2=O)nc1C(=O)OC 334161821 JJRNMBODTKXATH-LBPRGKRZSA-N 416.459 1.962 0 50 HDAA Cc1ccc(S(=O)(=O)NCCCNC(=O)[C@H]2CN(C)c3ccccc3O2)cc1 670445419 HPIZLWDZLDNUJP-LJQANCHMSA-N 403.504 1.677 0 50 HDAA NC(=O)C1CCN(c2ccc(NC(=O)[C@H](O)[C@@H](O)c3nc4ccccc4[nH]3)cc2)CC1 779619947 QMMQIPFOPJSIEQ-RTBURBONSA-N 423.473 1.298 0 50 HDAA CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(-c2cc(C)[nH]n2)sc1C 952972531 ILSSAZVUAPBYBR-LBPRGKRZSA-N 403.551 1.953 0 50 HDAA Cn1c(=O)oc2ccc(S(=O)(=O)N3CCC[C@@H](OCc4ccccn4)C3)cc21 952976164 VBBLFTAUCUXWTR-OAHLLOKOSA-N 403.460 1.896 0 50 HDAA C[C@H]1CCc2cc(F)ccc2N1C(=O)CN1CCN(c2ncccc2C(N)=O)CC1 1506419349 ONWLLTGDBITHLS-HNNXBMFYSA-N 411.481 1.810 0 50 HDAA CCCn1cc(C(=O)N[C@@H]2CN(C(=O)c3ccc(Cl)cn3)CC[C@@H]2O)c(C)n1 1857673656 XEFOWIVBWPTYRK-SJORKVTESA-N 405.886 1.655 0 50 HDAA CN(C)c1nc(N2CCOCC2)c2c(n1)C1(CC2)CCN(C(=O)c2cn[nH]c2)CC1 1857704038 ATMZHBQYTNSOPM-UHFFFAOYSA-N 411.510 1.223 0 50 HDAA COC(=O)c1cc(C(=O)OC)n(CCN2CCN(c3ccc(F)cn3)[C@H](C)C2)n1 1857705884 ZJFNQDXURXYKDU-CYBMUJFWSA-N 405.430 1.201 0 50 HDAA Cc1nc(NC(=O)[C@H](C)N(c2ccccc2)S(C)(=O)=O)sc1C(=O)N(C)C 1940195387 QCVUWOPAKPSUCM-LBPRGKRZSA-N 410.521 1.947 0 50 HDAA COc1ccc([C@@H]2[C@@H](C(=O)NCCN3CCCCC3)OCC(=O)N2C2CC2)cc1 1940197919 BGWLUGSDPLFGPN-RTWAWAEBSA-N 401.507 1.728 0 50 HDAA O=C(N[C@@H]1C[C@@H](C(=O)NCCCn2ccnc2)CC[C@H]1O)c1ccc(F)c(O)c1 2100556445 NRYARARSMUKISR-IAOVAPTHSA-N 404.442 1.194 0 50 HDAA CCOC(=O)N1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)CC1 780738 GVRRKYYMISVYGI-UHFFFAOYSA-N 403.888 1.261 0 50 HDAA in-vitro CS(=O)(=O)N(CC(=O)Nc1ccc2c(c1)OCCO2)c1ccc2c(c1)OCO2 3105318 FEYDEDKMKSJBFC-UHFFFAOYSA-N 406.416 1.591 0 50 HDAA COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NCCCn2ccnc2C)c(F)c1 12299444 HPUHLYLUGVRUAI-LJQANCHMSA-N 417.485 1.236 0 50 HDAA Cc1cc(CNC(=O)C[C@@H]2C(=O)NCCN2Cc2cccc3ccccc23)nn1C 14971804 DTUFPYBJKKTBFP-OAQYLSRUSA-N 405.502 1.889 0 50 HDAA CCOc1ccc(N2C(=O)C[C@@H](NCCc3ccc(S(N)(=O)=O)cc3)C2=O)cc1 18250489 BOVSQYFIDHBSEV-GOSISDBHSA-N 417.487 1.197 0 50 HDAA CCN1CCN(C[C@@H](O)COc2ccc(CN(C)Cc3ccon3)cc2OC)CC1 20601714 MKAKCOSWRAYFHA-HXUWFJFHSA-N 418.538 1.692 0 50 HDAA CCN1CCN(C(=O)[C@@H]2[C@@H]3C=C[C@@]4(CN(Cc5cccc(OC)c5)C(=O)[C@H]24)O3)CC1 77459042 GRNQMGHBSJTIAF-SRYPRDQNSA-N 411.502 1.141 0 50 HDAA Cn1c(=O)[nH]c(=O)c2c1nc(N1CCCC1)n2C[C@@H](O)COc1ccccc1Cl 170624354 NXEJSUFUNVKZCO-GFCCVEGCSA-N 419.869 1.117 0 50 HDAA Cc1cc(S(N)(=O)=O)ccc1CNC(=O)c1ccc(CSc2nnc[nH]2)cc1 241644719 PSXLVBIDIUPGBT-UHFFFAOYSA-N 417.516 1.983 0 50 HDAA CC(C)(CCCNC(=O)OC(C)(C)C)NC(=O)CSCC(=O)N1CCOCC1 242302456 YSTDUWCVQYEIBH-UHFFFAOYSA-N 417.572 1.778 0 50 HDAA COCCn1c(C(=O)N=c2cc(C)[nH]n2[C@H]2CCS(=O)(=O)C2)cc2ccccc21 334159309 YUVPKMBZDXAFGP-INIZCTEOSA-N 416.503 1.826 0 50 HDAA C[C@]1(C(N)=O)CCN(C(=O)Cc2sc(N3CCOCC3)nc2-c2ccccc2)C1 685842254 YEDSQZNPQZQCEU-NRFANRHFSA-N 414.531 1.913 0 50 HDAA CC(C)(C)N1C[C@@H](C(=O)Nc2ccc(OCC(=O)N3CCOCC3)cc2)CC1=O 952976836 PCVIQERSJNBOHX-HNNXBMFYSA-N 403.479 1.510 0 50 HDAA COc1ccc2c(c1)OCCn1cc(nn1)CCC(=O)NC1CCC(CC1)NC2=O 1704323197 AUNBRVUPTRYQNM-UHFFFAOYSA-N 413.478 1.469 0 50 HDAA Cn1cncc1C(=O)N1C[C@@H]2CC[C@H](C1)[C@@H]2NC(=O)c1ccc(N2CCCC2=O)cc1 1857688132 VFRJACYUPCGJGX-LFUKPOHLSA-N 421.501 1.828 0 50 HDAA CCSc1cccc(C(=O)NC2CC3(C2)CN(C(=O)c2nnn(C)c2N)C3)c1 1875330163 QPNSNLPPGQMXMM-UHFFFAOYSA-N 400.508 1.544 0 50 HDAA Cc1cc(C(=O)N2CC[C@@]3(CCN(C(=O)C[C@H]4CCCNC(=O)C4)C3)C2)sn1 1875361555 VIUUESAKUSMFPH-MGPUTAFESA-N 404.536 1.823 0 50 HDAA C/C=C(\F)C(=O)N1CCO[C@H]2CN(C(=O)c3cn(CC)nc3-c3cnn(C)c3)C[C@H]21 2325872649 IEFIEQVQCQONIB-HJHOWNDESA-N 416.457 1.229 0 50 HDAA O=C1N[C@H](C(=O)N2CCc3nc(Cc4ccccc4)nn3CC2)Cc2ccccc21 2356168938 INWGJGGVMIMQLH-IBGZPJMESA-N 401.470 1.608 0 50 HDAA Cc1nnc(NC(=O)CN(C)S(=O)(=O)c2ccc(Br)cc2)s1 1064703 GHTGSNALLDKILP-UHFFFAOYSA-N 405.299 1.868 0 50 HDAA CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1ccc(OCC(N)=O)cc1 1182074 HWSDNNZCRGJECQ-UHFFFAOYSA-N 402.447 1.912 0 50 HDAA Cc1cc(C)n(-c2ccc(N3CCN(S(=O)(=O)c4ccccc4F)CC3)nn2)n1 11027665 XQIYRUHZWKLQLY-UHFFFAOYSA-N 416.482 1.929 0 50 HDAA COC(=O)C1CCN(C[C@@H](O)COc2cccc(CN3CCSCC3)c2)CC1 12304004 DVRQWYZQGATDCQ-LJQANCHMSA-N 408.564 1.860 0 50 HDAA COCCN1C(=O)N(Cc2cccnc2)C(=O)C12CCN([C@@H]1CCSC1)CC2 14752108 SLOCZJPGYYUWNA-QGZVFWFLSA-N 404.536 1.832 0 50 HDAA O=C(NC[C@@H]1COCCO1)c1coc(CN2CCN(c3ccccc3F)CC2)n1 55153773 FQCGVJVAKQVQTM-OAHLLOKOSA-N 404.442 1.281 0 50 HDAA COc1ccc(-c2cn3cc(C(=O)N4CC(O)C4)nc3c(=O)n2CC2CC2)c(F)c1 72447424 QEVVXINJZQJAIH-UHFFFAOYSA-N 412.421 1.537 0 50 HDAA COc1cccc(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N3CCc5n[nH]cc5C3)[C@H]4C2=O)c1 77518942 BBBLVARIVVOJBQ-MXBUBSDBSA-N 420.469 1.285 0 50 HDAA O=C(c1ccn(C(F)F)n1)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CC1 95527891 AFCFDDAYRVCEPC-UHFFFAOYSA-N 404.421 1.928 0 50 HDAA C[C@H](NC(=O)c1ccc(Oc2ccccc2)cc1)C(=O)N1CCS(=O)(=O)CC1 111016392 VGGJYPYTWYMQPD-HNNXBMFYSA-N 402.472 1.854 0 50 HDAA NC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1S(=O)(=O)c1cc2c(cc1Cl)NC(=O)CO2 239352641 ACWDMASEMXBJKE-WQAKAFBOSA-N 413.883 1.478 0 50 HDAA COc1ccc([C@@H]2Cn3nnc(C(=O)N4CCN(c5ccccn5)CC4)c3CO2)cc1 263619388 YMZBXIIRLBVLBE-IBGZPJMESA-N 420.473 1.916 0 50 HDAA COc1ccccc1CN1C[C@@H](C(=O)Nc2ccc(Oc3nn[nH]n3)cc2)CC1=O 1506403804 ZJTZQEACSDLLAP-AWEZNQCLSA-N 408.418 1.988 0 50 HDAA Cc1cc(C(=O)N2C[C@H]3CN(S(=O)(=O)c4cccs4)C[C@]3(CN(C)C)C2)no1 1772818147 NDBYWHOCHAKBCF-KSSFIOAISA-N 424.548 1.369 0 50 HDAA COc1ccc(-c2n[nH]cc2C(=O)Nc2cccc(C(=O)N3CCNC(=O)C3)c2)cc1 1775965372 NZAMQDWSWAWUAB-UHFFFAOYSA-N 419.441 1.910 0 50 HDAA Cc1ccc2nc(N3C[C@@H](C(=O)NC4CCS(=O)(=O)CC4)CC3=O)sc2c1 1857727891 DSOQJTPPSUGVKK-LBPRGKRZSA-N 407.517 1.651 0 50 HDAA N=c1nc(C(=O)N2C[C@@H](O)[C@H](Cc3ccnc4ccccc34)C2)c2c([nH]1)CCCC2 1857736700 WWZSUSNKPBFJPO-FOIQADDNSA-N 403.486 1.992 0 50 HDAA CC(=O)N[C@](C)(C(=O)N1CCN(CCN(C)C)CC1)c1cccc(C(F)(F)F)c1 1875257667 UDRGBXKNIGTDMP-IBGZPJMESA-N 414.472 1.763 0 50 HDAA O=C(NCCCC(=O)N1CCOc2ccccc21)N1CCC[C@](O)(c2cnn[nH]2)C1 2325728290 JGKQRMIJYRVNPM-HXUWFJFHSA-N 414.466 1.004 0 50 HDAA C[C@H](C(=O)N=c1nc2nccc(C3CC3)n2[nH]1)N(c1ccccc1)S(C)(=O)=O 2356163337 YTKWCKZALJHROA-GFCCVEGCSA-N 400.464 1.217 0 50 HDAA CCn1cc(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@@H](C)c3cn(C)nc3C)C2)c(C)n1 6490250 BDDZMTQQWDMBFZ-XJKSGUPXSA-N 422.555 1.531 0 50 HDAA Cc1onc(-c2ccccc2)c1C(=O)N[C@@H]1C(=O)N2[C@H]1SC(C)(C)[C@@H]2C(=O)O 9212279 UWYHMGVUTGAWSP-KEYYUXOJSA-N 401.444 1.895 0 50 HDAA biogenic,investigational COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NCCCOC(C)C)cc1OC 11879883 KPWRAMKBXUBTBT-KRWDZBQOSA-N 407.511 1.326 0 50 HDAA Cc1ccc(CN2CCN(C(=O)Cn3nnnc3CN(C)C(C)C)CC2=O)cc1C 12578303 NTBQLHIOIVHFGN-UHFFFAOYSA-N 413.526 1.001 0 50 HDAA COc1ccc(CN(C)Cc2ccccn2)cc1OC[C@H](O)CN1CCN(C)CC1 19334506 KNPWXGFGVNLJMI-OAQYLSRUSA-N 414.550 1.709 0 50 HDAA O=C(NCCCN1CCOCC1)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1 23214483 MRNGZWFFLQHQGJ-UHFFFAOYSA-N 415.534 1.919 0 50 HDAA COCC(=O)Nn1ccc2c(cnc3c(-c4ccc(F)cc4)c(COC)nn32)c1=O 40397200 JRUVICQGCPSFHO-UHFFFAOYSA-N 411.393 1.713 0 50 HDAA COc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)N3CCN(C)CC3)cc2)cc1 67338814 HLJUYOLNDQGXCX-UHFFFAOYSA-N 417.531 1.904 0 50 HDAA Nc1nc(=O)[nH]cc1N1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(C(F)(F)F)cc2)CC1 225578618 PBBDIKNBIJISNG-ZIAGYGMSSA-N 407.396 1.823 0 50 HDAA COC(=O)C1=NN(CCC(C)=O)[C@@H]2C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@@H]12 226807083 MXRDKEWHRRJPBO-JSGCOSHPSA-N 412.229 1.675 0 50 HDAA COCCOc1ccccc1N1CCN(C(=O)c2cnc3sccn3c2=O)CC1 471335460 IGTCXWRBOOPTMZ-UHFFFAOYSA-N 414.487 1.744 0 50 HDAA COc1ccc(C2(c3nc(CC(N)=O)nn3C[C@@H]3COCCO3)CCCC2)cc1 584902186 AZUWRPBYJOUBJQ-QGZVFWFLSA-N 400.479 1.590 0 50 HDAA COc1cccc(-n2cc(CNC(=O)[C@@H](c3cccnc3)N3CCOCC3)cn2)c1 670454165 SJXKLXFBBYARQE-OAQYLSRUSA-N 407.474 1.966 0 50 HDAA CSc1nn2c(=O)cc(CN3CCC[C@H](C(=O)c4nccn4C)C3)nc2s1 1506427532 MGSDXWHKJUBIBS-NSHDSACASA-N 404.521 1.701 0 50 HDAA CC(C)NC(=O)[C@]12CCCCN1C[C@@H](NC(=O)c1c[nH]c(=N)nc1-c1ccccc1)C2 1857703481 RNLSURXADJCVIL-GAJHUEQPSA-N 422.533 1.808 0 50 HDAA CCc1ocnc1C(=O)N1C[C@H](NC(=O)c2snc(Cl)c2Cl)[C@H](O)C1 1875308867 DIIRWWSBWKZGLJ-NKWVEPMBSA-N 405.263 1.616 0 50 HDAA CCc1nn(-c2ccccc2)c(CC)c1CNS(=O)(=O)CCn1nc(C)oc1=O 1875346149 VCMKMXBWQHEFMD-UHFFFAOYSA-N 419.507 1.575 0 50 HDAA CCS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 6742324 PVDIBTDFXAJWNH-UHFFFAOYSA-N 403.345 1.167 0 50 HDAA CS(=O)(=O)CC[C@H](C(=O)NCCc1ccccc1)N1Cc2ccccc2C1=O 8598277 AMVIZXNDJFSUHL-LJQANCHMSA-N 400.500 1.805 0 50 HDAA CN(CCc1nc2cc(F)ccc2[nH]1)C(=O)Cn1nnnc1CN1CCCCCC1 12441853 KJVVLULHCGOTTN-UHFFFAOYSA-N 414.489 1.766 0 50 HDAA COc1cccc(CO[C@@H]2CN(C(=O)Cn3cncn3)CC(=O)N(CC(C)C)C2)c1 14747496 UGSCCGUNTLULIH-IBGZPJMESA-N 415.494 1.199 0 50 HDAA CC1CCN(Cc2nnnn2CCCC(=O)N2CCN(c3ccncc3)CC2)CC1 14976363 ZTVKMQDOLXCEFQ-UHFFFAOYSA-N 412.542 1.429 0 50 HDAA COc1cc(CNCc2cnn(C)c2C)ccc1OC[C@H](O)CN1CCSCC1 15076452 WRNGPSPCQBMGGN-LJQANCHMSA-N 420.579 1.815 0 50 HDAA O=C(NCCCCc1ccccn1)[C@@H]1CCC(=O)N(CCCN2CCCC2=O)C1 15076474 QZKLQGQKDWRSRL-GOSISDBHSA-N 400.523 1.772 0 50 HDAA CCN1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCN(C)CC3)c2)CC1 72140556 UFGZJMSSEPNIPM-UHFFFAOYSA-N 414.959 1.054 0 50 HDAA COc1cc(NC(=O)COC(=O)c2n[nH]c(=O)c3ccccc23)c(C)cc1[N+](=O)[O-] 139899449 WQJWKUPQXZMWLS-UHFFFAOYSA-N 412.358 1.944 0 50 HDAA NC(=O)CC[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3ccccc3F)C(=O)[C@@H]12 227243048 BGFHNBDEZXDKTG-GQAKTHPZSA-N 422.416 1.016 0 50 HDAA CCN(CC)S(=O)(=O)c1ccc(N2C[C@@H](C(=O)Nc3nocc3C)CC2=O)cc1 328595251 PBGWQDDAZHWRIU-AWEZNQCLSA-N 420.491 2.005 0 50 HDAA CNC(=O)c1ccc(S(=O)(=O)N2CCN(c3nc4ccccc4o3)CC2)cc1 606461223 DOPOILXVATXBGR-UHFFFAOYSA-N 400.460 1.698 0 50 HDAA O=C(Nc1ccc(-n2nccn2)cc1)c1cccc(CN2CCS(=O)(=O)CC2)c1 751330374 HZAIDFAQGINYGL-UHFFFAOYSA-N 411.487 1.750 0 50 HDAA CCn1nc(C)c(CN(CCOC)S(=O)(=O)N2CCC[C@@H](COC)C2)c1C 1506405525 CEOQILJAZXYTHK-QGZVFWFLSA-N 402.561 1.571 0 50 HDAA CC[C@H](C)N1CCO[C@@]2(C[C@@H]3CC[C@H](C2)N3Cc2cnc(NCC(=O)O)nc2)C1 1857708507 XTGZONWCTBESBK-DZKDUJFISA-N 403.527 1.969 0 50 HDAA Cc1cccc(N2CCN(CC(=O)N3C[C@H](C(=O)O)C4(CCOCC4)C3)CC2)c1 2100390482 YDZFJRORSPXNRC-LJQANCHMSA-N 401.507 1.457 0 50 HDAA Cc1cc(OCC(=O)N(C)[C@H]2CCCC[C@@H]2N(C)C(=O)COc2cc(C)on2)no1 2325724263 UYUCTVBNXUMNLU-HOTGVXAUSA-N 420.466 1.965 0 50 HDAA Cn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C[C@@H]2CCC[C@H](C3CC3)O2)ccc1=O 2325872632 HEZCRFIIYKSKFY-UJMXGEILSA-N 413.518 1.985 0 50 HDAA C=CC(=O)N1CCC[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccccc3C)CC2)C1 2325889545 VPTCKCYBCRIIIX-QGZVFWFLSA-N 405.520 1.253 0 50 HDAA Cn1c(=O)[nH]c(=O)c2c1nc(N1CCCC1)n2C[C@@H](O)COc1ccc(Cl)cc1 629379 SAAQTJDKFDGREJ-CYBMUJFWSA-N 419.869 1.117 0 50 HDAA Nc1ncc(CN2CCC[C@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)cn1 20325179 BQABYQVYJGMYCY-IBGZPJMESA-N 410.522 1.570 0 50 HDAA CN(Cc1cnn(C)c1)C(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(Cc4ccc(F)cc4)C(=O)[C@@H]13)O2 77354087 BISNPYJVKGWVTE-JYLXEMOASA-N 410.449 1.500 0 50 HDAA CC(=O)N1CCc2ccc(S(=O)(=O)N3CC[C@H]4[C@@H](CCC(=O)N4C4CC4)C3)cc21 229988330 UENMHEJSULINCD-LPHOPBHVSA-N 417.531 1.760 0 50 HDAA O=C(Nc1ccc2c(c1)OCCO2)[C@@H]1[C@@H]2C(=O)N(Cc3ccncc3)C[C@@]23C=C[C@H]1O3 252431012 YEUXMNPIKNKIDQ-JWRIFHQMSA-N 419.437 1.774 0 50 HDAA O=C(CN1CCC(C(=O)NCc2ccco2)CC1)Nc1nnc([C@@H]2CCCO2)s1 1506412378 XVIPSHDQZRXLIO-HNNXBMFYSA-N 419.507 1.950 0 50 HDAA C[C@@H]1C[C@@H]2CCN1C(=O)CCCc1cn(nn1)CCOc1ccc(F)cc1C(=O)N2 1704319249 SVRGKKWHFMHDIG-ZBFHGGJFSA-N 415.469 1.942 0 50 HDAA O=C(CCc1nc2ccccc2s1)N1C[C@@H]2CN(Cc3cnc[nH]3)C[C@@]2(CO)C1 1772810596 NFYJJKSXWSYHBO-BTYIYWSLSA-N 411.531 1.905 0 50 HDAA COc1cc(-c2nccn2C2CCS(=O)(=O)CC2)cc(Cl)c1OCC(N)=O 1857708599 BWQWTNDAYLIADM-UHFFFAOYSA-N 413.883 1.826 0 50 HDAA C[C@H]1C[C@@H](NC(=O)[C@H]2CN3CCC[C@H]3CO2)CN1C(=O)c1ccc(-c2ccccn2)o1 2325828540 KDAVEOCFOBYVLT-GRXQJBFDSA-N 424.501 1.924 0 50 HDAA Cc1ncn(-c2ccc(NC(=O)[C@@H]3CNCC34CCS(=O)(=O)CC4)cc2)c1C 2325840822 SBPFPCNRWAHUJM-SFHVURJKSA-N 402.520 1.842 0 50 HDAA COc1cccc(C[C@H]2[C@H]3C[C@H](CN(C(=O)CNC(C)=O)C3)c3cccc(=O)n32)c1 2356160098 CXGRLTUASGTZIH-LQWHRVPQSA-N 409.486 1.723 0 50 HDAA CCn1c(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)nnc1-c1cccnc1 2220457 UWEBAAGRBBGPOA-UHFFFAOYSA-N 418.504 1.738 0 50 HDAA O=S(=O)(c1ccc(Cl)cc1)N1CCN(C(=S)NC[C@H]2CCCO2)CC1 2857681 DNYHEJWHOMBUBM-CQSZACIVSA-N 403.957 1.700 0 50 HDAA Cc1ccc(N2C[C@H](C(=O)NCCc3ccc(S(N)(=O)=O)cc3)CC2=O)cc1 2865350 OWQXEKQUHKEFLP-MRXNPFEDSA-N 401.488 1.354 0 50 HDAA NC(=O)C1(N2CCCCC2)CCN([C@@H]2CC(=O)N(c3ccccc3F)C2=O)CC1 4177961 ARJAEZNDZNXWTM-QGZVFWFLSA-N 402.470 1.263 0 50 HDAA CC(=O)c1cccc(N(CC(=O)NCc2ccc3c(c2)OCO3)S(C)(=O)=O)c1 4434673 XVVSNNREDBPHJY-UHFFFAOYSA-N 404.444 1.700 0 50 HDAA COc1ccc(CCNC(=S)N2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1OC 5041885 STPAZOOYADDKIF-KRWDZBQOSA-N 407.536 1.444 0 50 HDAA Cn1c(CNC(=O)c2ccc(Cl)cc2)nnc1SCC(=O)N1CCOCC1 6703007 OPYXYMGZHXIMEP-UHFFFAOYSA-N 409.899 1.349 0 50 HDAA CCOC(=O)N1CCN(C(=O)CC[C@@]2(Cc3ccc(OC)cc3)CCC(=O)N2)CC1 12331960 NFBZJEHJDVZIGV-JOCHJYFZSA-N 417.506 1.967 0 50 HDAA CCn1c(-n2nc(C)c(C)c2C)nc2c1c(=O)n(CC(=O)C(C)(C)C)c(=O)n2C 12518082 YMRWRXGTHDYZFF-UHFFFAOYSA-N 400.483 1.643 0 50 HDAA COC[C@H](C)N1CCC2(CC1)C(=O)N(CC(=O)OC)C(=O)N2CCc1ccccc1 14732433 SDLPANTWTDUFAH-KRWDZBQOSA-N 417.506 1.536 0 50 HDAA COc1cccc(N2CCN(C(=O)C[C@H]3C(=O)NCCN3CCC(C)C)CC2=O)c1 14978688 IPPGJYHTRGVXNG-IBGZPJMESA-N 416.522 1.107 0 50 HDAA COc1ccc(OC)c(S(=O)(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c1 20027030 RXEJGSYMXQBJRV-UHFFFAOYSA-N 420.487 1.939 0 50 HDAA COc1nc(C)nc(NC(=O)NS(=O)(=O)Nc2nc(Cl)ccc2Cl)n1 22016655 PWTJLTXVSUSDKS-UHFFFAOYSA-N 408.227 1.369 0 50 HDAA CCn1cnnc1CN(C)C(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(Cc4cccc(C)c4)C(=O)[C@H]13)O2 77375330 BNIXTYQVFBNZCG-UDSSINMLSA-N 421.501 1.547 0 50 HDAA COc1ccc2nc(CCNC(=O)[C@@H]3Cc4ccccc4S(=O)(=O)N3)[nH]c2c1 215171155 SSZADQFNYWKQKJ-INIZCTEOSA-N 400.460 1.133 0 50 HDAA O=C(CN1C(=O)NC2(CCC3(CC2)OCCO3)C1=O)N[C@H](c1ccccc1)C1CC1 225491384 YFVSSWKHWFFNBX-GOSISDBHSA-N 413.474 1.862 0 50 HDAA CC(C)[C@H](NC(=O)c1cccs1)C(=O)NC1CCN(S(=O)(=O)C2CC2)CC1 440865033 SHYMWWMOURNVTK-INIZCTEOSA-N 413.565 1.575 0 50 HDAA CCOC(=O)c1c[nH]c2cc3c(cc2c1=N[C@@H](C)CN1CCN(C)CC1)OCO3 481996407 AAMPELISVQQQAB-AWEZNQCLSA-N 400.479 1.610 0 50 HDAA CS(=O)(=O)c1ccc(S(=O)(=O)NC[C@H]2CC(=O)N(C3CCCC3)C2)cc1 670462551 CDZDKNKIUCNIRC-CYBMUJFWSA-N 400.522 1.160 0 50 HDAA NC(=O)COc1ccc(S(=O)(=O)N2CCc3nc[nH]c3[C@H]2c2cccnc2)cc1 952873187 WTCWHRVEDPEUOA-LJQANCHMSA-N 413.459 1.005 0 50 HDAA O=S(=O)(c1cc2ccccc2s1)N1CCC(N2CCN(CCO)CC2)CC1 952973140 MUKYUVPPPMCROB-UHFFFAOYSA-N 409.577 1.664 0 50 HDAA CSCC(=O)N1C[C@@H]2CN(c3cc(C)nc(-c4ccccc4O)n3)C[C@]2(CO)C1 1772806499 YSYHRXDEAUCOAG-YCRPNKLZSA-N 414.531 1.778 0 50 HDAA CCc1cc(C(=O)NC[C@@H]2CN(CC3CCN(CC4CC4)CC3)C(=O)CO2)n[nH]1 1857680377 HZGGANHRIXWNCG-GOSISDBHSA-N 403.527 1.051 0 50 HDAA Cc1nncn1CCN1C[C@@H]2[C@H](CNC(=O)/C=C/c3ccccc3)[C@H]3CC[C@]2(C1)O3 1857719898 WWPOWUMYXMFUEA-ZHCHGMFASA-N 407.518 1.896 0 50 HDAA COc1ccc(-c2nccn2[C@@H]2C[C@H]3CO[C@@H](CC(=O)N(C)C)CN3C2)cc1O 1857729638 FPYWLEBDRHCANC-IKGGRYGDSA-N 400.479 1.757 0 50 HDAA CC(=O)N[C@H](C)c1ccc(S(=O)(=O)Nc2ccc3c(=O)n(C)cnc3c2)s1 2325826069 NOJLTIGQCHJJFB-SNVBAGLBSA-N 406.489 1.993 0 50 HDAA CCCc1cc(CN(C)C(=O)C[C@H]2C(=O)NCCN2Cc2cccc(OC)c2)n[nH]1 11662607 MLUIJSXEUGCTSM-FQEVSTJZSA-N 413.522 1.720 0 50 HDAA C[C@H]1CN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccccc2F)C[C@H](C)O1 20029379 WYMWRZDLSFFTCT-KBPBESRZSA-N 415.469 1.230 0 50 HDAA CCN1CCN(C2CCN(Cc3cnc(S(C)(=O)=O)n3CC(C)C)CC2)CC1 20780728 KCALQLRWUOMMEN-UHFFFAOYSA-N 411.616 1.545 0 50 HDAA NC(=O)c1cccnc1N1CCC([C@@]2(CCc3ccccc3)NC(=O)NC2=O)CC1 67847815 UFYKXBSUBKEWKI-JOCHJYFZSA-N 407.474 1.608 0 50 HDAA CCN1CCN(CCN2CC3(CCN(C(=O)c4ccc(O)cc4)CC3)OC2=O)CC1 72430652 SEVAXEATNDVNCR-UHFFFAOYSA-N 416.522 1.457 0 50 HDAA O=C(c1ccc(=O)[nH]c1)N1CCc2ccc(S(=O)(=O)Nc3cccnc3)cc2C1 77406552 AXGQFYDJELYDBF-UHFFFAOYSA-N 410.455 1.769 0 50 HDAA COc1cccc(CNC(=O)CC[C@@H]2CCCN(CC(=O)N3CCOCC3)C2)c1 95523712 LHZISDCVTZIQKT-SFHVURJKSA-N 403.523 1.662 0 50 HDAA Cn1c(=O)c2c(ncn2CCOC(=O)c2cnc(Cl)c(C3CC3)c2)n(C)c1=O 170600867 UQTQVBVYQOWADU-UHFFFAOYSA-N 403.826 1.217 0 50 HDAA CCCC[C@@H]1C(=O)NCCN1CC1=C(C(=O)OCC)[C@@H](c2ccccc2)NC(=O)N1 229428465 QCDJQIXFHILRHD-IEBWSBKVSA-N 414.506 1.848 0 50 HDAA C[C@@H]1CN(Cc2ccc(C(=O)N3CCC[C@@H](CNS(C)(=O)=O)C3)cc2)C[C@@H](C)O1 229526239 XSGHRMILEDHQKS-LMMKCTJWSA-N 423.579 1.697 0 50 HDAA O=C(NCCNC(=O)c1ncccc1O)NCc1cc(F)ccc1Br 230492468 FKVVGWUDKAKZCJ-UHFFFAOYSA-N 411.231 1.918 0 50 HDAA O=C(COC(=O)CCN1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C1=O)Nc1ccc(F)cc1 239038777 DXECMJXJDXDTLH-PSJNWGMYSA-N 412.417 1.751 0 50 HDAA O=C(C[C@H]1N=C(O)N(Cc2ccc3c(c2)OCO3)C1=O)N[C@H](CO)c1ccccc1 252533076 FURIWUYZBQLDDN-HZPDHXFCSA-N 411.414 1.280 0 50 HDAA O=C(C[C@H]1NC(=O)c2ccccc2NC1=O)Nc1ccc2ncn(C3CC3)c(=O)c2c1 334160702 KMXYSONVOKASHH-GOSISDBHSA-N 417.425 1.811 0 50 HDAA O=C1N[C@H](C(=O)Nc2ccc(OCC(=O)N3CCOCC3)cc2)Cc2ccccc21 827780168 YYIPOCFXYALGSE-IBGZPJMESA-N 409.442 1.217 0 50 HDAA CCCCCCn1cc(S(=O)(=O)N(C)CCC(=O)OC(C)(C)C)c(O)nc1=O 1475101766 TXXCKNHMKKJIFK-UHFFFAOYSA-N 417.528 1.882 0 50 HDAA COc1ccc2c(c1)CCOC21CCN(C(=O)C[C@H]2C(=O)NCCN2C(C)C)CC1 1704335043 KBOUERHBCIEZPJ-FQEVSTJZSA-N 415.534 1.685 0 50 HDAA O=C(c1cc[nH]n1)N1CCC(N2C[C@@H](COc3ccc(F)cc3)OCC2=O)CC1 1857680142 HEQYZMNBTMPCRN-KRWDZBQOSA-N 402.426 1.460 0 50 HDAA CCN1CC[C@@H]2C[C@@H](N3CCOCC3)CC[C@@]2(C(=O)NCc2cc(O)nc(C)n2)C1 1857684665 XFSHKWCWSCOJRF-ZWCUEREDSA-N 417.554 1.320 0 50 HDAA Cc1cnc2c(C(=O)N3CC[C@@]45O[C@@H](c6ccccc6)CN4C(=O)C[C@@H]35)cnn2c1 1857722046 AGNDPKTWPRDSSO-HMFYCAOWSA-N 403.442 1.952 0 50 HDAA Cn1c(=O)n(C)c2cc(S(=O)(=O)N3CC[C@H](CCO)c4ccccc43)ccc21 2325827185 YLYWSMPIZDCCLU-CQSZACIVSA-N 401.488 1.942 0 50 HDAA O=S1(=O)C[C@H](S(=O)(=O)c2ccccc2)[C@@H](S(=O)(=O)c2ccccc2)C1 1232044 VWKRTHCBULCWPF-HOTGVXAUSA-N 400.499 1.100 0 50 HDAA Cc1ccccc1OC1CCN(C(=O)CCn2nnnc2CN2CCOCC2)CC1 20776452 GXXIPNGUPDKPHB-UHFFFAOYSA-N 414.510 1.274 0 50 HDAA COCCOCCOCCOc1ccc(OCCOCCOCCOC)cc1 25756964 GLFDQJMQVPBQCE-UHFFFAOYSA-N 402.484 1.803 0 50 HDAA Cc1noc(CN(C)C(=O)[C@@H]2[C@@H]3C=C[C@@]4(CN(Cc5ccc(C)c(C)c5)C(=O)[C@H]24)O3)n1 77300707 RKVSEYZEIZTMAH-USKVXJDGSA-N 422.485 1.935 0 50 HDAA Cc1cccc(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N(C)Cc3ccncn3)[C@H]4C2=O)c1 77337108 RTKJTELCCRZSLG-MXBUBSDBSA-N 404.470 1.726 0 50 HDAA O=C1C[C@H](C(=O)N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)CN1CCc1ccccc1 253400721 FDGVEAPHOZBRBT-AABGKKOBSA-N 405.498 1.885 0 50 HDAA biogenic Cc1nc(S(=O)(=O)N2CCC[C@@H](n3ncc(N(C)C(C)C)cc3=O)C2)cn1C 328606986 UKUOOHLXCWFDAZ-OAHLLOKOSA-N 408.528 1.156 0 50 HDAA CN(C)S(=O)(=O)C[C@@H]1CN(C2CCN(c3ccccc3Cl)CC2)C[C@@H]1O 1529177737 FITZAULUXUFGKI-KSSFIOAISA-N 401.960 1.493 0 50 HDAA O=C(Cc1cccnc1)N1C[C@@H]2CN(c3nccc(C(F)(F)F)n3)C[C@]2(CO)C1 1772812814 RCRWGGBFVMOZEQ-KDOFPFPSSA-N 407.396 1.390 0 50 HDAA CN1CCN(c2ccc(NC(=O)c3ccc4c(=O)n5c(nc4c3)CCC5)nc2)CC1 1875254542 OSCPGLMMYDVBEW-UHFFFAOYSA-N 404.474 1.742 0 50 HDAA CCCn1ncnc1CNc1cc(C)c(S(=O)(=O)NC[C@H]2CCC[C@H]2O)cn1 1875336161 UCLKWIFRQATKCO-HUUCEWRRSA-N 408.528 1.443 0 50 HDAA NC(=O)c1ncn2c(-c3ccccc3)cc(C(=O)N3CCN(C(=O)C4CC4)CC3)nc12 1875350113 BETURKRBNVOMKM-UHFFFAOYSA-N 418.457 1.190 0 50 HDAA O=C(Cc1cnc(O)nc1O)N1CC[C@H]2[C@@H]1CCN2CCOc1ccc(F)cc1 2100482563 ISDMAVAJQZPAOS-IRXDYDNUSA-N 402.426 1.324 0 50 HDAA NS(=O)(=O)c1ccc(O)c(N2C(=O)c3cccc4c(C(=O)O)ccc(c34)C2=O)c1 8426080 BMEJTIQSHFWIAP-UHFFFAOYSA-N 412.379 1.692 0 50 HDAA COc1ccc([C@@]2(CC(=O)N3CC[C@@H](O)C3)CC(=O)N(CCC(C)C)C2=O)cc1 12041414 HOHZERPLEXDJBI-VGOFRKELSA-N 402.491 1.721 0 50 HDAA CN(CCc1ccccn1)Cc1ccc2c(c1)CN(C(=O)[C@H]1CNC(=O)C1)CCO2 12159836 OJDQBRGPNXNKOR-GOSISDBHSA-N 408.502 1.613 0 50 HDAA Cc1nc(NCCNS(=O)(=O)c2cc(F)ccc2C)cc(N2CCOCC2)n1 67604039 KOZMKZPJLREXTH-UHFFFAOYSA-N 409.487 1.460 0 50 HDAA COc1cccc(N([C@@H](C)C(=O)N2CC(=O)Nc3ccccc32)S(C)(=O)=O)c1 67613239 TYTCZERYUXZECK-ZDUSSCGKSA-N 403.460 1.835 0 50 HDAA CN1CC2(CCN(C[C@]3(O)CCCN(CCc4ccccc4)C3=O)CC2)OC1=O 67967955 NDTWZOKXCJAIIQ-JOCHJYFZSA-N 401.507 1.499 0 50 HDAA COc1cccc(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N3CCSCC3)[C@H]4C2=O)c1 77458577 JIXMHDUQGQXGAA-NTLWEQJWSA-N 400.500 1.553 0 50 HDAA Cc1c(C)[n+]([O-])c([C@@H](c2ccc(O)c(Cl)c2)C2C(=O)N(C)C(=O)N(C)C2=O)n1C 409415357 CIPKOFARDBOPGP-AWEZNQCLSA-N 420.853 1.433 0 50 HDAA O=C(c1cnc(O)nc1O)N1CC[C@@]2(CCCN(CCCc3ccccc3)C2=O)C1 426493166 KTZUUIQZWLDAOM-QFIPXVFZSA-N 410.474 1.975 0 50 HDAA COc1cccc(CN2CCC[C@@]3(CCN(C(=O)Cn4ccnc4)C3)C2=O)c1OC 426737325 CEXSAJLVKWHPAQ-QFIPXVFZSA-N 412.490 1.942 0 50 HDAA Cn1nnc(-c2ccccc2NC(=O)CC[C@H]2NC(=O)c3ccccc3NC2=O)n1 886025330 INGQYAMFNPZWHR-MRXNPFEDSA-N 405.418 1.347 0 50 HDAA Cc1nnn(C23C[C@H]4C[C@@H](CC(NC(=O)c5cnc6ccccn6c5=O)(C4)C2)C3)n1 952868991 CYJNCKOXQJNVKK-LDSOLPTJSA-N 405.462 1.467 0 50 HDAA C[C@@]1(NC(=O)CCc2ccncc2)CCOC2(CCN(Cc3cc[nH]n3)CC2)[C@H]1O 1772706575 SZNDFLYKFANXRJ-LEWJYISDSA-N 413.522 1.428 0 50 HDAA CN1CCn2nc(C(=O)NCCc3nc(-c4ccc(Cl)cc4)no3)cc2C1=O 1857673004 LJCUUSOJHHVYQY-UHFFFAOYSA-N 400.826 1.645 0 50 HDAA CN1CCC[C@@H]1CC(=O)N1CCC2(CCc3c(O)nc(N4CCOCC4)nc32)CC1 1857722538 XPBBMZBXGBFIRN-MRXNPFEDSA-N 415.538 1.310 0 50 HDAA CN(C)C(=O)C[C@H]1CN2C[C@H](NC3CCN(c4ccccc4F)CC3)C[C@H]2CO1 1857723689 QUHIABDIFVBXSD-QYZOEREBSA-N 404.530 1.704 0 50 HDAA Cc1nc(O)c2c(n1)[C@]1(CCCN(C(=O)CCc3c(C)nc4ncnn4c3C)C1)CC2 1857733391 IXVDCGXSQCKTOC-JOCHJYFZSA-N 421.505 1.984 0 50 HDAA O=C(Cc1cnn(-c2ccccc2)n1)NS(=O)(=O)c1ccc2c(c1)CCCC2=O 1875255046 JAEJBHCCZXMVED-UHFFFAOYSA-N 410.455 1.834 0 50 HDAA CCN1C[C@H](C(=O)N2CCCC[C@@H](NC(=O)c3c(F)cc(N)cc3F)C2)CCC1=O 2325864335 MKCDBIRKCCKBQX-UKRRQHHQSA-N 422.476 1.916 0 50 HDAA N#CN(Cc1ccc(Cl)cc1)c1nc(N2CCOCC2)nc(N2CCOCC2)n1 4488312 QSLCPRMMHGXRES-UHFFFAOYSA-N 415.885 1.686 0 50 HDAA Cc1c(NC(=O)CSC(=S)N2CCOCC2)c(=O)n(-c2ccccc2)n1C 6520316 XAZBRCXYXYBFTM-UHFFFAOYSA-N 406.533 1.773 0 50 HDAA Cc1nn2cc(CNCc3cccc(OC[C@@H](O)CN4CCOCC4)c3)nc2s1 11934590 XAVXOBTXHFCARW-SFHVURJKSA-N 417.535 1.461 0 50 HDAA CN1CCN(C(=O)[C@@H]2CC(=O)c3sc(NC(=O)c4cccs4)nc3C2)CC1 20601154 AWGDGMVGASURKD-NSHDSACASA-N 404.517 1.976 0 50 HDAA COC(=O)C[C@@H]1C(=O)NCCN1Cc1nc(-c2cc3c(cc2Cl)OCO3)oc1C 39442636 OFILHODZHCHONU-CQSZACIVSA-N 421.837 1.896 0 50 HDAA COC(=O)c1ccc(CNC(=O)C[C@@H]2C(=O)NCCN2Cc2cccs2)cc1 55036770 FPISYPNHGNSRCM-QGZVFWFLSA-N 401.488 1.542 0 50 HDAA Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)CN1CCS(=O)(=O)CC1(C)C 225410333 QIMHUGZWTCCYPV-UHFFFAOYSA-N 418.563 1.673 0 50 HDAA CC1(C)O[C@@H]2O[C@H](C(=O)Nc3ccc4c(c3)OCCO4)[C@@H]3OC(C)(C)O[C@H]3[C@H]2O1 239378238 OLTGMPCSJLZDJI-QFXBJFAPSA-N 407.419 1.793 0 50 HDAA biogenic CN(C)S(=O)(=O)c1ccc(NC(=O)N2CCNC(=O)C[C@H]2c2ccccc2)nc1 432812762 JUWOPDHWOHANRJ-INIZCTEOSA-N 417.491 1.427 0 50 HDAA CN1CC[C@]2(C(=O)NCc3nccn3C)CCCN(C(=O)CC3CCCC3)[C@H]2C1 1775980862 DJOHPPALJUHSCJ-PGRDOPGGSA-N 401.555 1.930 0 50 HDAA NC(=O)c1ncn2c(-c3ccco3)cc(C(=O)NCc3nnc4ccccn34)nc12 1875350421 MIVNPJYBQHGWIP-UHFFFAOYSA-N 402.374 1.061 0 50 HDAA COc1ccc(S(=O)(=O)NC[C@@H]2CCCN(C(=O)CCc3cnn(C)c3)C2)cc1 12052573 FJVQSPIVTOJUKJ-INIZCTEOSA-N 420.535 1.578 0 50 HDAA O=C(NCCCN1CCOCC1)[C@H]1CNC[C@@H](COc2ccc3c(c2)CCC3)C1 14532839 XJDRTKOJBDRTBT-GHTZIAJQSA-N 401.551 1.618 0 50 HDAA O=C(Cn1c(=O)n(C2CCCCC2)c2ncc(C(=O)O)cc21)NC[C@@H]1CCCO1 55120136 WUDHWQOIPCGGKK-HNNXBMFYSA-N 402.451 1.697 0 50 HDAA Cc1cc(C(=O)N2CCC(N3CCC[C@H](C(=O)N4CCN(C)CC4)C3)CC2)no1 71754398 MZKBXLBGPQLOCJ-KRWDZBQOSA-N 403.527 1.074 0 50 HDAA Cc1cc(C)c(S(=O)(=O)NCCNc2cc(N3CCOCC3)ncn2)cc1C 72140687 ZJPNAQWYYDEZAI-UHFFFAOYSA-N 405.524 1.629 0 50 HDAA C[C@H](C(=O)N1CCC2(CCC(=O)N(CCc3c[nH]cn3)C2)CC1)N1CCCC1=O 91288667 IRPNAGNCNOQAIW-MRXNPFEDSA-N 401.511 1.194 0 50 HDAA CCCCn1c(CN2CCN(c3ccccc3)CC2)nc2c1c(=O)n(C)c(=O)n2C 96305232 RAYNTYDCGPEYPU-UHFFFAOYSA-N 410.522 1.556 0 50 HDAA C[C@H]1CCc2cc(F)cc3c(O)c(C(=O)NCCCN4CCOCC4)c(=O)n1c23 100663168 OVCYGCDRHBKEEP-ZDUSSCGKSA-N 403.454 1.806 0 50 HDAA Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C(=O)O)CC2)cc1 138055974 FBEODZGDFTZKIJ-UOVPBQLFSA-N 406.504 1.575 0 50 HDAA CSCC[C@@H](NC(=O)C1(n2cnnn2)CCCCC1)c1nnc2ccccn12 223236841 GSPLRCDOOURWJV-CQSZACIVSA-N 400.512 1.986 0 50 HDAA COc1ccccc1N1CCN2c3ccccc3C[C@]3(C(=O)NC(=O)N(C)C3=O)[C@@H]2C1 248114152 ALPOXROPDBWBIQ-WMZHIEFXSA-N 420.469 1.641 0 50 HDAA COCCN1C(=O)C[C@@H](CNCc2cnc3cnccn23)[C@@H]1c1cnn(C(C)C)c1 328606598 SCDUZLJAQCXCCA-HRAATJIYSA-N 411.510 1.833 0 50 HDAA O=C(Nc1cnn(CCN2CCOCC2)c1)N[C@@]1(CO)CCOc2ccccc21 441633470 KFZFMIHGNHZBID-HXUWFJFHSA-N 401.467 1.007 0 50 HDAA O=C(c1ccc2n[nH]cc2c1)N1CCC[C@@H](C(=O)N2CCO[C@H](c3ncon3)C2)C1 474228178 FUUBVPSRFIURLL-PBHICJAKSA-N 410.434 1.398 0 50 HDAA COCCN1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccccc2OC(F)F)CC1 498458050 RIRUVYMOSGFQCF-MRXNPFEDSA-N 411.449 1.683 0 50 HDAA CC(=O)NCc1ccc(S(=O)(=O)NC(=O)c2cc(Cc3ccccc3)[nH]n2)s1 793127938 SFXYZFUMPYFZNZ-UHFFFAOYSA-N 418.500 1.817 0 50 HDAA COc1cc(-c2onc(N(C)C)c2C(=O)N2CCC[C@@](O)(CO)CC2)ccc1F 1704336267 JUECZMAXBWXABE-FQEVSTJZSA-N 407.442 1.905 0 50 HDAA CC(=O)c1ccc(C(=O)N2C[C@@H]3CN(C(=O)c4cc(C)on4)C[C@@]3(CO)C2)s1 1772702896 LYSCXEIDRILNHH-DJJJIMSYSA-N 403.460 1.454 0 50 HDAA CCCn1cc(C(=O)N2C[C@@H]3CN(C(=O)CCOC)C[C@@]3(CN(C)C)C2)c(C)n1 1772710886 XBZKIXKTRLITOF-UWJYYQICSA-N 405.543 1.100 0 50 HDAA CN(C)c1nc2c(c(=NC[C@H]3CCOC3)[nH]1)CCC21CCN(Cc2ncc[nH]2)CC1 1857695000 OPZMVLJOGOTHDB-MRXNPFEDSA-N 411.554 1.616 0 50 HDAA NC(=O)c1cn(CCCCNS(=O)(=O)c2cccc3ccc(Cl)cc23)nn1 2325870600 GLAXXRFJLNGFLK-UHFFFAOYSA-N 407.883 1.942 0 50 HDAA CCOC(=O)c1ccc(NCc2c(C(=O)OCC)nnn2-c2nonc2N)cc1 2025382 VZALHWFVGPEZET-UHFFFAOYSA-N 401.383 1.198 0 50 HDAA O=C(c1cc2ccccc2oc1=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 38528140 PKBMECZILDFTKV-UHFFFAOYSA-N 421.457 1.382 0 50 HDAA CCCCNc1nc(N)c2[nH]c(=O)n(Cc3ccc(OCCN(C)C)nc3)c2n1 43200174 SSZHESNDOMBSRV-UHFFFAOYSA-N 400.487 1.298 0 50 HDAA in-vitro O=C(NCc1nc[nH]n1)[C@@H]1CCCN(C2CCN(c3nc4ccccc4o3)CC2)C1 71750631 ZBFRWADOPFGMBS-OAHLLOKOSA-N 409.494 1.943 0 50 HDAA Cc1cc(F)ccc1N1C[C@]23C=C[C@H](O2)[C@H](C(=O)N(C)Cc2cnccn2)[C@H]3C1=O 77337122 IWCTXMQXEQZFBS-OZIGNCPNSA-N 408.433 1.869 0 50 HDAA O=C(NC[C@H]1CCCN(c2nnnn2-c2ccccc2)C1)c1cc(C(F)F)[nH]n1 828210139 VNBGDDFOXLNDNJ-GFCCVEGCSA-N 402.409 1.969 0 50 HDAA O=S(=O)(c1cn[nH]c1)N1CCC[C@@]2(CCc3c(O)nc(-c4cccnc4)nc32)C1 1857687383 VGIXPHZFZNKIJR-LJQANCHMSA-N 412.475 1.636 0 50 HDAA CC[C@@H]1[C@H](C(=O)N(C)CCn2ccnc2)C[C@@H]2CN(Cc3cccnc3)CC(=O)N21 1857689340 BEUJZARMPFRGLO-VAMGGRTRSA-N 410.522 1.248 0 50 HDAA CCCO[C@H]1C[C@@H](C(=O)N2CCCNC(=O)C2)CC[C@@H]1NC(=O)c1cccnc1 1857705541 LSLLREMDQGQGAE-SZMVWBNQSA-N 402.495 1.124 0 50 HDAA CCC(=O)N1CCC[C@]2(CCc3c(N4CCNC(=O)C4)nc(-c4cccnc4)nc32)C1 1875248373 NCYGZUKBGCRSEU-QHCPKHFHSA-N 420.517 1.691 0 50 HDAA O=C(Cn1cncn1)NC[C@@H]1COCCN1C(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1 1875327779 LCDADNBVEBJDDD-IXDOHACOSA-N 403.870 1.079 0 50 HDAA COc1ccc(C(=O)N2CCCO[C@@H](CNC(=O)C3(NC(C)=O)CCCC3)C2)cc1 1875345358 WTJFLPRYVYQSSG-IBGZPJMESA-N 417.506 1.491 0 50 HDAA CC(=O)NC1=NN(C(C)=O)[C@@](C)(CS(=O)(=O)c2ccc(NC(C)=O)cc2)S1 3026564 WJLGYQNAMCQMBZ-MRXNPFEDSA-N 412.493 1.137 0 50 HDAA Cc1ccc(C(=O)[C@H](C)n2c(N3CCOCC3)nc3c2c(=O)n(C)c(=O)n3C)cc1 4626160 JNVOABOLXZVOCH-AWEZNQCLSA-N 411.462 1.023 0 50 HDAA COc1cc(C(=O)NCCN2CCCC[C@H]2CO)ccc1OC1CCN(C)CC1 12439226 XLFKKGHMTCMRBW-SFHVURJKSA-N 405.539 1.745 0 50 HDAA COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NCc2c(C)n[nH]c2C)c(F)c1 12749233 SSOJNCVPXKYRCD-SFHVURJKSA-N 403.458 1.181 0 50 HDAA C[C@]12CC[C@@H]3[C@H](CC[C@@]4(O)C[C@@H](O)CC[C@]34C(=O)O)[C@@]1(O)CC[C@H]2C1=CC(=O)OC1 13548090 XJIILRFVONGQOG-IQVLAZHCSA-N 420.502 1.784 0 50 HDAA Cn1cc(CCNC(=O)C[C@H]2C(=O)NCCN2Cc2cccc(C(F)(F)F)c2)cn1 19148188 WKPNFQUBGGWSPX-KRWDZBQOSA-N 423.439 1.488 0 50 HDAA CCOC(=O)c1cc(C)nc2c1c(=O)n(CC(=O)Nc1c(C)cccc1C)c(=O)n2C 20168551 ADJWYKOZJFFJDK-UHFFFAOYSA-N 424.457 1.836 0 50 HDAA O=C(CCCn1nnnc1CN1CCOCC1)N1CCC[C@H]1c1ccc(F)cc1 20210542 MBIPWYPNOQJHLS-SFHVURJKSA-N 402.474 1.788 0 50 HDAA COc1ccc(CN2CCc3nnc(CNC(=O)c4ccccn4)n3CC2)cc1C 20777101 NQLGDLHOWOGHEN-UHFFFAOYSA-N 406.490 1.978 0 50 HDAA CC(C)NC(=O)c1cn(CCN2CCN(Cc3ccc4c(c3)OCCO4)CC2)nn1 23359145 SBGRWZMFWYBWMM-UHFFFAOYSA-N 414.510 1.005 0 50 HDAA CCN1CCCC[C@@H]1C(=O)N1CCC(N2CCC(C(=O)N3CCOCC3)CC2)CC1 71747160 WZZHHCUVNUVMNG-OAQYLSRUSA-N 420.598 1.423 0 50 HDAA CN(Cc1ccncn1)C(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(Cc4ccc(F)cc4)C(=O)[C@@H]13)O2 77343973 OVKOUPPOLUWFKJ-JYLXEMOASA-N 408.433 1.556 0 50 HDAA O=C(CC[C@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O)NCCc1ccncc1 206229358 XAFRVYHQXNMMAA-MRXNPFEDSA-N 410.430 1.370 0 50 HDAA CO[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@@H](O)[C@H]1N1C(=O)c2ccccc2C1=O 255984889 LDLANDFJIIDMRD-ZEKZHXFCSA-N 411.410 1.498 0 50 HDAA in-vitro Cc1cccc(C(=O)NC[C@@H]2CN(CC3CCN(CC4CC4)CC3)C(=O)CO2)n1 299759221 CGNYJFAEXSSJTP-LJQANCHMSA-N 400.523 1.469 0 50 HDAA CC[C@H]1CN(C(=O)NC2CCN(C3CCN(C)CC3)CC2)[C@H](CC)CN1C(C)=O 473028098 QVLQIOYXUUXUKU-VQTJNVASSA-N 407.603 1.976 0 50 HDAA C[C@@H]1[C@H](NC(=O)N2CCc3nnc(N4C[C@@H]5CN(C)C[C@@H]5C4)cc3C2)CCCN1C 952890555 CNUKVNRPCUBHPZ-OQIJWPOYSA-N 413.570 1.025 0 50 HDAA O=C1Cn2cnc3c2[C@@H](c2cccc(c2)OCCCN1)N(C(=O)c1ccccn1)CC3 1775980211 URRLHOJIHMASSX-OAQYLSRUSA-N 417.469 1.965 0 50 HDAA Cc1ccc(C(=O)OCCOCCn2cncn2)cc1N1C(=O)[C@H]2CC=CC[C@H]2C1=O 1875258307 ZCAJJLHMOPABCJ-HDICACEKSA-N 424.457 1.916 0 50 HDAA CCN(CC)CC(=O)NCC12CCC(CN=c3ncnc4[nH][nH]c(C)c3-4)(CC1)OC2 1875327854 NHUHMRLKQHLKPF-UHFFFAOYSA-N 415.542 1.234 0 50 HDAA O=C(O)C[C@H]1C[C@H](NC(=O)CSCc2cn(-c3cccc(CO)c3)nn2)CCO1 1875353624 ADMXBSVMJDLGSX-RHSMWYFYSA-N 420.491 1.131 0 50 HDAA Cc1cncc(C(=O)NC[C@@H]2CC3(CCOCC3)CN2C(=O)c2cnn3c2CCC3)c1 1875361484 SZAXHNFNMBDBJU-SFHVURJKSA-N 423.517 1.974 0 50 HDAA O=C(C[C@H]1CCNC1=O)N[C@@H]1CCC[C@@H]1NC(=O)c1snc(Cl)c1Cl 2325860703 QDPJQMFLAOVKPI-HLTSFMKQSA-N 405.307 1.743 0 50 HDAA O=C1CC[C@@H](N2Cc3c(C(=O)NCc4ccc(C(=O)O)cc4)cccc3C2=O)C(=O)N1 2325896828 HXNLFKCWEFWQMD-QGZVFWFLSA-N 421.409 1.076 0 50 HDAA O=C1CC[C@H](N2Cc3ccc(CNC(=O)OC[C@@H]4CC5CC4C5)cc3C2=O)C(=O)N1 2325901092 TVZTVPWXLBLABD-NTKFSPQFSA-N 411.458 1.720 0 50 HDAA CN(Cc1ccncn1)C(=O)C[C@H]1C(=O)NCCN1Cc1c(F)cccc1Cl 14947874 PZOQUWNLDBHSRH-KRWDZBQOSA-N 405.861 1.618 0 50 HDAA COCCNC(=O)[C@H]1CCCN(c2cccc3c2C(=O)N(C[C@@H]2CCCO2)C3=O)C1 14973225 RGEOHTLLHVSPOY-HOTGVXAUSA-N 415.490 1.441 0 50 HDAA Cn1c(SCC(=O)Nc2ccccc2)nnc1[C@@H]1CCCN(S(C)(=O)=O)C1 17088316 UNSOBHFMQHEBAQ-CYBMUJFWSA-N 409.537 1.685 0 50 HDAA Cc1ccc(C2(c3noc(CN(C)[C@@H]4CS(=O)(=O)C[C@H]4O)n3)CCCC2)cc1 19812991 FGIGZXFXTZBMSN-IAGOWNOFSA-N 405.520 1.828 0 50 HDAA COC(=O)[C@H](Cc1ccccc1)NCc1c(C(=O)N2CCOCC2)nc2ccccn12 19838693 PTYWIYJNRULOCY-SFHVURJKSA-N 422.485 1.681 0 50 HDAA Cc1nc[nH]c1CN1CC(=O)N(CC2CCOCC2)C[C@H](OCc2cccnc2)C1 20867076 DWDYZNXHKWBILJ-HXUWFJFHSA-N 413.522 1.769 0 50 HDAA Cc1cccc(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N(C)Cc3cnn(C)c3)[C@@H]4C2=O)c1 77487195 APPNFOZONHOVNA-VAWZGJIGSA-N 406.486 1.669 0 50 HDAA Cc1ccc(C)c(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N(C)Cc3ncc[nH]3)[C@H]4C2=O)c1 77523548 CHVHSKCYJXRSQV-USKVXJDGSA-N 406.486 1.967 0 50 HDAA O=C(CC[C@H]1N=C(O)N(Cc2ccco2)C1=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 252537787 MJCFWMGTBSDVMO-HLLBOEOZSA-N 424.457 1.492 0 50 HDAA COCCn1cc([C@@H]2[C@@H](C(=O)NC[C@@H](O)C(C)(C)C)CC(=O)N2C(C)(C)C)cn1 252551374 UDHHHJHKRRWMRL-LZLYRXPVSA-N 408.543 1.741 0 50 HDAA CC[C@@H](CO)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3nccs3)cc2)CC1 408521145 JSEBJIVOMQLZOC-HNNXBMFYSA-N 424.548 1.473 0 50 HDAA O=C1O[C@@H](C(=O)N2CCN(Cc3nnnn3-c3ccccc3)CC2)Cc2ccccc21 730776945 VFEHSQNQQIIFQY-LJQANCHMSA-N 418.457 1.088 0 50 HDAA C[C@H]1[C@@H](NC(=O)N2CCc3nnc(N4C[C@@H]5CN(C)C[C@@H]5C4)cc3C2)CCCN1C 952890554 CNUKVNRPCUBHPZ-KANFNMMFSA-N 413.570 1.025 0 50 HDAA CN1CCN(CCOc2ccccc2CN2C[C@@H]3COCC[C@]3(C(=O)O)C2)CC1 1772712238 LWYGPIMBFVOULW-KNQAVFIVSA-N 403.523 1.236 0 50 HDAA COc1ccc(F)cc1C(=O)N[C@H]1CN(C(=O)C[C@@H]2CCNC2=O)CCC12CCC2 1875334891 JDVDTARVRLHJQB-KSSFIOAISA-N 417.481 1.862 0 50 HDAA O=C(CNc1cccc(-c2cn(C[C@H](O)c3ccccc3)nn2)c1)N1CCOCC1 2325776723 PMWUTNVCQPLILY-NRFANRHFSA-N 407.474 1.949 0 50 HDAA COc1ccc2cccnc2c1S(=O)(=O)Nc1ccc(C(=O)NCC(=O)O)cc1 2325841134 FDXJDPYKDPGOGZ-UHFFFAOYSA-N 415.427 1.859 0 50 HDAA COCCn1[nH]nnc1=NC(=O)c1cccnc1Oc1ccccc1Br 2325855824 QFZPAQIREHDBOI-UHFFFAOYSA-N 419.239 1.944 0 50 HDAA Cn1ccc([C@@H](NS(=O)(=O)c2ccc3[nH]c(=O)cnc3c2)c2ccc(F)cc2)n1 2325862069 IDDQJXDEHPIFFT-IBGZPJMESA-N 413.434 1.864 0 50 HDAA CN1CCN(C(=O)c2ccccc2NC(=O)CCN2C(=O)c3ccccc3C2=O)CC1 4197689 KZJDTOUJFKVRHA-UHFFFAOYSA-N 420.469 1.699 0 50 HDAA Cn1c(=O)n(C)c2cc(NC(=O)CN3C(=O)COc4ccc(Cl)cc43)ccc21 8391694 NJGFARQPDKJWBA-UHFFFAOYSA-N 400.822 1.895 0 50 HDAA O=C(Cn1nnnc1CN1CCCCCC1)N(Cc1ccncc1)C[C@@H]1CCCO1 11937122 TZFYPDHRDZVNSL-IBGZPJMESA-N 413.526 1.652 0 50 HDAA CN(C)CCN(C[C@@H]1CCCN(Cc2ccccc2F)C1)C(=O)Cn1cncn1 12594209 ZVLACJDVNMWSNW-GOSISDBHSA-N 402.518 1.720 0 50 HDAA COc1ccc(S(=O)(=O)NCCNc2cc(N3CCOCC3)nc(C)n2)cc1 38488310 RCPCRJOWJYAPGU-UHFFFAOYSA-N 407.496 1.021 0 50 HDAA COc1ccccc1[C@@H](CNC(=O)[C@](C)(O)CN1Cc2ccccc2C1=O)N(C)C 225431394 QANVVNZSCJKVOW-AUSIDOKSSA-N 411.502 1.821 0 50 HDAA O=S(=O)(NC[C@]1(O)CCN(Cc2ccccc2)C1)c1ccc2nc(O)[nH]c2c1 443231431 MSRQULLEOWIDLJ-LJQANCHMSA-N 402.476 1.184 0 50 HDAA O=C(Cn1cnnc1O)N1CC[C@@](c2nc(-c3ccccn3)no2)(C(F)(F)F)C1 952894844 UHEMRHXSHYMGGJ-OAHLLOKOSA-N 409.328 1.161 0 50 HDAA NC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2cc(F)cc(F)c2)CC1 1303030050 QFTFUUUWLKWWGH-INIZCTEOSA-N 418.448 1.452 0 50 HDAA CN(C)c1ncc2c(n1)[C@@]1(CCCN(c3cc(N)nc(N4CCOCC4)n3)C1)CC2 1704327697 FYCAHJCXJHZXBS-NRFANRHFSA-N 410.526 1.236 0 50 HDAA CCOC(=O)[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CCN(C(=O)c1cnccn1)C2 1857681299 HYKLNIKEEUCPTE-CBGDNZLLSA-N 402.495 1.373 0 50 HDAA CC(C)c1nnc(N2C[C@H](C(=O)NCC3(CN4CCN(C)CC4)CC3)CC2=O)s1 1857719903 WZMXLEAFSJVOFW-OAHLLOKOSA-N 420.583 1.158 0 50 HDAA CC(=O)NCCC(=O)N[C@H]1CCC[C@H]2CN(S(=O)(=O)c3ccccc3C)C[C@@H]12 1857729017 RAXPXTYKELACSV-KSZLIROESA-N 407.536 1.427 0 50 HDAA CCc1nnc(C(=O)N[C@@H]2CC[C@H]3CN(C(=O)CCc4nc[nH]n4)C[C@H]3C2)s1 1875362284 YRQMVJCORJXETJ-YNEHKIRRSA-N 403.512 1.208 0 50 HDAA CN(C)CCNC(=O)C[C@@H](c1ccc2c(c1)OCO2)c1c(O)nc2ccccn2c1=O 2049513348 CSMCZMNUYBMVKV-HNNXBMFYSA-N 424.457 1.329 0 50 HDAA COc1ccc([C@H]2NC(=O)CO[C@@H]2C(=O)NCCc2nc(C)cs2)cc1OC 2100477247 WMFPRFPSPSCFLD-MSOLQXFVSA-N 405.476 1.384 0 50 HDAA O=C(CNC(=O)Cc1ccccc1)NCC(=O)OCC(=O)c1ccccc1Cl 2594295 FYSLJGXXCCRZLL-UHFFFAOYSA-N 402.834 1.541 0 50 HDAA COCC1CCN(Cc2ccc(OC)cc2OC[C@@H](O)CN2CCN(C)CC2)CC1 20537162 ALZMQQHPVFEAIT-NRFANRHFSA-N 421.582 1.541 0 50 HDAA NS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1 36034664 YWYGBNCYZXXPMO-QPJJXVBHSA-N 421.544 1.354 0 50 HDAA COc1cccc(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N3CCn5cccc5C3)[C@H]4C2=O)c1 77393539 QPCCBTSLAOEHRL-XARGGIHNSA-N 419.481 1.821 0 50 HDAA CCN(CC)C(=O)c1ccc(CN2C(=O)NC3(CCS(=O)(=O)CC3)C2=O)cc1 169772477 SRGWBUUPLJMTHN-UHFFFAOYSA-N 407.492 1.168 0 50 HDAA C[C@H](OC(=O)CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)C(=O)N1CCc2ccccc2C1 245263540 APJDSJZCWSWUBE-KFKAGJAMSA-N 410.470 1.844 0 50 HDAA O=c1n(-c2ccccc2)c(=O)n2n1[C@H]1[C@H]3C4C5[C@]16CN(Cc1ccccc1)C[C@]56[C@@H]2[C@@H]43 253616571 CMWPJGHOYGAVMB-YCVRVYBUSA-N 410.477 1.904 0 50 HDAA O=S(=O)(NC[C@H](c1ccccn1)N1CCOCC1)N1CCc2ccccc2C1 670441075 WBSHNWSDJICWSV-HXUWFJFHSA-N 402.520 1.348 0 50 HDAA Cc1nn(C)cc1CN1CCC2(CC1)OCC[C@@](C)(NC(=O)C1CCCC1)[C@@H]2O 1772710241 PRUMZXHVBFDBFE-LEWJYISDSA-N 404.555 1.909 0 50 HDAA CN1CCCN(C[C@@H]2OCCN(C(=O)c3cccc(F)c3)[C@H]2c2cnn(C)c2)CC1 1857724796 DBZNKVMGXKGZKT-SFTDATJTSA-N 415.513 1.779 0 50 HDAA CC1(F)CC(COC(=O)NCc2ccc3c(c2)C(=O)N([C@@H]2CCC(=O)NC2=O)C3)C1 2325886731 GVQUCITXAWVIIB-PCIUKOCSSA-N 417.437 1.812 0 50 HDAA O=C(CSc1nc2cccnc2[nH]1)N1CCN(S(=O)(=O)c2ccccc2)C1 1426716 NAQXTECONFOEAT-UHFFFAOYSA-N 403.489 1.541 0 50 HDAA COc1cccc(CN2CCC[C@@]3(CCN(C(=O)CN4CCOC4=O)C3)C2)c1OC 12303188 RYOBVQAPIGONQB-JOCHJYFZSA-N 417.506 1.971 0 50 HDAA Cc1cc(NS(=O)(=O)c2ccc(Cl)cc2)nn1CC(=O)N1CCN(C)CC1 12846614 XBZXEDACRQSGPH-UHFFFAOYSA-N 411.915 1.420 0 50 HDAA CC1CCN(Cc2nnnn2CCCC(=O)NC[C@@H]2COc3ccccc3O2)CC1 15067014 VVPAYSPRJAPNCE-QGZVFWFLSA-N 414.510 1.641 0 50 HDAA COc1cccc2c1OCCCN(C(=O)C[C@H]1C(=O)NCCN1Cc1ccccn1)C2 55344003 SKHZVLKADPIZFB-IBGZPJMESA-N 424.501 1.592 0 50 HDAA COc1ccc(-c2cn3cc(C(=O)NC[C@@H](C)O)nc3c(=O)n2CC2CC2)c(F)c1 72420349 DQWDBYJBDDKEHC-GFCCVEGCSA-N 414.437 1.831 0 50 HDAA O=C1[C@H]2[C@@H](C(=O)N3CCC(F)(F)CC3)[C@@H]3C=C[C@@]2(CN1CCc1ccncc1)O3 77303762 XSLWGEGAVYVFBB-LJCCNALRSA-N 403.429 1.664 0 50 HDAA COC[C@H]1CCCN1S(=O)(=O)c1ccc2c(c1)CN(C(=O)COC(C)C)CC2 77323470 OWCFSGHBCCWRQY-GOSISDBHSA-N 410.536 1.796 0 50 HDAA Cc1ccc(C)c(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N(C)Cc3cnn(C)c3)[C@H]4C2=O)c1 77354681 XLBVAYHIJFBGQT-CIEVZJJWSA-N 420.513 1.978 0 50 HDAA CN(Cc1ccoc1)C(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(c4ccc(CCO)cc4)C(=O)[C@@H]13)O2 77407581 KMRSBFCYEPWJMN-VAWZGJIGSA-N 408.454 1.759 0 50 HDAA CN(C)[C@@H]1CCN(Cc2ccc(C(=O)NCc3cnc4ccccc4c3)c(=O)[nH]2)C1 77504113 ODHVDLSOELVJIW-LJQANCHMSA-N 405.502 1.989 0 50 HDAA COc1ccc(CN2C(=O)N[C@H](CCC(=O)Nc3nccs3)C2=O)cc1OC 206251259 DFUWALVRTRKKTL-GFCCVEGCSA-N 404.448 2.000 0 50 HDAA COC(=O)c1cnc(O)c([C@H](CC(N)=O)c2cc3cccc4c3n(c2=O)CCC4)c1O 253623854 QRXLSSCVHSMAQD-CYBMUJFWSA-N 423.425 1.548 0 50 HDAA biogenic O=C(N[C@H]1C2CN3CCN(C2)CC1(c1ccccc1)C3)c1cc(-c2ccccn2)[nH]n1 670465076 YOJMRBSYEKLOBQ-NZAVSEOKSA-N 414.513 1.769 0 50 HDAA C[C@@H](O)CNC(=O)C[C@@H](c1ccc2c(c1)OCO2)c1c(O)n2ccccc2nc1=O 1857526302 YRWJGYWQXNQDOO-OCCSQVGLSA-N 411.414 1.148 0 50 HDAA CCn1c(-c2cc(Br)cc3[nH]ncc23)nnc1N1CCC(O)(CO)CC1 1875316535 YACMDOZNHRQXJR-UHFFFAOYSA-N 421.299 1.927 0 50 HDAA O=C([C@@H]1CCOC1)N1CCC(Cc2cn(Cc3cccs3)nn2)(C(=O)O)CC1 1875327305 UTYADWKUIXQDHV-CQSZACIVSA-N 404.492 1.660 0 50 HDAA COCCNC(=O)c1cn([C@H]2CCCN(C(=O)c3ccc(OC)cc3OC)C2)nn1 14952093 VNCFHVXWXSKVTF-AWEZNQCLSA-N 417.466 1.149 0 50 HDAA COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NCCc2ccccc2)cc1OC 15069606 VMRDGZNSKRRYCG-IBGZPJMESA-N 411.502 1.753 0 50 HDAA O=C(NCCc1nnc2n1CCN(Cc1cccc3cccnc13)CC2)[C@H]1CCCO1 20450762 OKUZPZIWHHWHTQ-LJQANCHMSA-N 420.517 1.722 0 50 HDAA CCS(=O)(=O)c1ncc(CN2CCN(C(C)=O)CC2)n1CCCc1ccccc1 20914506 YZMLNAOYHSKRNL-UHFFFAOYSA-N 418.563 1.974 0 50 HDAA CN(CCCN1CC2(CCN(C(=O)C3(C(N)=O)CC3)CC2)OC1=O)C1CCCCC1 72481402 CHNGDQLWXQJZAS-UHFFFAOYSA-N 420.554 1.720 0 50 HDAA CN(C)[C@@H]1CCN(S(=O)(=O)c2ccc3c(c2)CN(C(=O)c2ccncc2)CC3)C1 77556507 ZGKCCIVXJOXCCV-LJQANCHMSA-N 414.531 1.605 0 50 HDAA COCC(=O)N1CCC(Oc2ccccc2C(=O)N[C@H](C)c2nncn2C)CC1 95505920 FGJDUWGRQGGBLO-CQSZACIVSA-N 401.467 1.322 0 50 HDAA COC(=O)c1coc(S(=O)(=O)N2CCC[C@H](c3n[nH]cc3C(=O)N(C)C)C2)c1 328602094 ABSDVIUGWWHHCJ-NSHDSACASA-N 410.452 1.059 0 50 HDAA COc1cc2nc(N3CC[C@H](N4CCN(C)CC4)[C@H](C)C3)nc(N)c2cc1OC 487094621 QQPLAWYNOSLRCC-PBHICJAKSA-N 400.527 1.691 0 50 HDAA Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1NC(=O)Cn1c(=O)oc2ccccc21 1318730598 LCKNJYDHUUUMAE-ZDUSSCGKSA-N 404.448 1.406 0 50 HDAA Cc1cccc(NC[C@H]2CCCN2C(=O)c2cc(S(=O)(=O)N(C)C)cn2C)n1 1341947093 WAOVTCYZYQRJLT-OAHLLOKOSA-N 405.524 1.696 0 50 HDAA CC(C)[C@H](NC(=O)N1CCO[C@@]2(CCS(=O)(=O)C2)C1)c1nc2ccccc2[nH]1 1477750412 TUEQNBYKFKCLMF-LPHOPBHVSA-N 406.508 1.859 0 50 HDAA CN=c1ncc(C(=O)N2CCC[C@]3(CCc4c(O)nc(-c5cccnc5)nc43)C2)c[nH]1 1857699951 FWBIRVHFFOBJTI-QFIPXVFZSA-N 417.473 1.618 0 50 HDAA O=S(=O)(CCO)c1cccc(CN=c2ccc3nnc(-c4ccsc4)n3[nH]2)c1 1875324349 UKFWBVPXUASNSX-UHFFFAOYSA-N 415.500 1.653 0 50 HDAA CCOC(=O)[C@@H]1CCCN(C(=O)c2cc(-c3ccco3)n3cnc(C(N)=O)c3n2)C1 1875350770 ZYWSJSICINMQRV-GFCCVEGCSA-N 411.418 1.504 0 50 HDAA Cc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@@H]2C(=O)NS(C)(=O)=O)cc1 1875390716 BSFSNTNGMGCUDI-QGZVFWFLSA-N 408.501 1.186 0 50 HDAA O=C(CS(=O)(=O)Cc1ccccc1)Nc1ccccc1C(=O)N1CCOCC1 4740568 PMICLLHMDYGBFM-UHFFFAOYSA-N 402.472 1.713 0 50 HDAA COCCC(=O)N1CCC(Oc2ccc(C(=O)NCCN3CCCC3)cc2)CC1 12582368 IRTBMVLGUAWDPI-UHFFFAOYSA-N 403.523 1.919 0 50 HDAA Cn1nc(C(=O)N2CCCCCC2)c2c1CC[C@H](NCCCN1CCOCC1)C2 14746146 HENDMWDLPVRCOE-SFHVURJKSA-N 403.571 1.606 0 50 HDAA CCc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3cnn(CC)c3)CC2)cc1 17089312 FFQPXHNOBFJGJG-UHFFFAOYSA-N 412.537 1.161 0 50 HDAA COc1cc(C)c(CN2CCc3nnc(CNC(=O)[C@@H]4CCOC4)n3CC2)cc1C 19837671 UVDNRIVPKJUSNX-QGZVFWFLSA-N 413.522 1.615 0 50 HDAA CC(C)N1CCN(Cc2cnc(S(=O)(=O)CC3CC3)n2C[C@H]2CCCO2)CC1 23375385 DQPSKVKHAKSZCT-LJQANCHMSA-N 410.584 1.772 0 50 HDAA Cc1cccc(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N(C)Cc3nnc(C)o3)[C@@H]4C2=O)c1 77285423 IBVCOACSJJTBTF-VGYLUTEMSA-N 408.458 1.627 0 50 HDAA CN(C)[C@@H]1CCCN(Cc2ccc(C(=O)NCc3ccc4c(c3)OCO4)c(=O)[nH]2)C1 77387698 VSWGECLGGLCGHV-QGZVFWFLSA-N 412.490 1.560 0 50 HDAA O=S1(=O)CC[C@@]2(C[C@H](NS(=O)(=O)c3ccc(Br)cc3)CCO2)C1 170591846 GKJGATVPVXEFOQ-TZMCWYRMSA-N 424.338 1.464 0 50 HDAA COCCN(C)c1cnn([C@@H]2CCCN(C(=O)c3cccc4c[nH]nc34)C2)c(=O)c1 328603367 FXCKPQGRRBGQTO-MRXNPFEDSA-N 410.478 1.680 0 50 HDAA CCc1ccc(CN2CCc3c(C(=O)N4CC[C@](O)(CO)C4)csc3C2)nc1 426428885 QYOQBFJGJWRUAW-OAQYLSRUSA-N 401.532 1.833 0 50 HDAA O=C(NC12C[C@@H]3C[C@H](C1)CC(n1ncnn1)(C3)C2)[C@H]1CC(=O)N(Cc2ccncc2)C1 827696132 JTUKTCKNYBZNSZ-VVLBCNRYSA-N 421.505 1.281 0 50 HDAA Nc1ncc2c(n1)[C@@]1(CCCN(C(=O)c3ccccc3N3CCC(=O)NC3=O)C1)CC2 1704338509 UBQAVYQTHUQNHB-QFIPXVFZSA-N 420.473 1.625 0 50 HDAA Cc1nn(C)c(C)c1[C@@H]1COCCN1C(=O)C(=O)N[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21 1875259530 BIMVASBNQKRWFI-YXYSEUPNSA-N 408.502 1.781 0 50 HDAA Cc1nc(O)c2c(n1)CN(S(=O)(=O)c1cnc3onc(C4CCOCC4)c3c1)C2 1875346527 GSXUZIWVRFBQIO-UHFFFAOYSA-N 417.447 1.625 0 50 HDAA COC(=O)[C@H]1Cc2nc[nH]c2CN1C(=O)c1cc2c(s1)C1(CCNCC1)OCC2 2356149410 YXBUHBRDBMCVKI-OAHLLOKOSA-N 416.503 1.363 0 50 HDAA COCCNC(=O)c1cn([C@@H]2CCCN(C(=O)Cc3ccccc3Cl)C2)nn1 12001689 XWEAKMSOMCTBMP-OAHLLOKOSA-N 405.886 1.714 0 50 HDAA CN(Cc1ccccc1)C(=O)c1cn(CCNC(=O)Cc2ccc3c(c2)OCO3)nn1 12218280 CRBOQBYNWDCNGB-UHFFFAOYSA-N 421.457 1.638 0 50 HDAA CN(Cc1cnccn1)C(=O)C[C@@H]1C(=O)NCCN1Cc1ccc2ccccc2c1 12459836 AUSXRNJECXOOFU-OAQYLSRUSA-N 403.486 1.979 0 50 HDAA O=c1/c(=C/c2cccnc2)sc2n1CN(c1cccc(Br)c1)CN=2 13282874 DHYGKZCSPAQIPR-CHHVJCJISA-N 401.289 1.951 0 50 HDAA Cc1c(NC(=O)CN2CCC3(CCC(=O)N(C[C@H]4CCCO4)C3)CC2)cnn1C 95373596 CMLJZPGNAOPRIM-QGZVFWFLSA-N 403.527 1.551 0 50 HDAA CCS(=O)(=O)c1ccc(N2CCC(NC(=O)c3csc(CN)n3)CC2)cc1 170678040 AKYPCUOVMFQJIH-UHFFFAOYSA-N 408.549 1.794 0 50 HDAA COc1ccc(CNC(=O)[C@@H](C)N2CCC(c3nc(=N)n(C)[nH]3)CC2)cc1OC 225519553 LGCILVWLFXPGFA-CYBMUJFWSA-N 402.499 1.129 0 50 HDAA Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C(=O)O)CC2)c1 239310469 ILVWLSJPRFQHLQ-PBWTXFEYSA-N 418.515 1.659 0 50 HDAA COc1ccc(N(C)C(=O)c2ccccc2S(=O)(=O)CCS(C)(=O)=O)cn1 240626764 HJBMLNZPSXPMKS-UHFFFAOYSA-N 412.489 1.185 0 50 HDAA Cc1c(C(=O)N[C@H]2C3CN4CCN(C3)CC2(c2ccccc2)C4)cnc2ccnn12 670474320 MOJDHSAUVKOGOJ-QKTWPWEVSA-N 402.502 1.335 0 50 HDAA Cc1ccc2nc(CCC(=O)N3CCN(c4ncccc4C(N)=O)CC3)[nH]c2c1C 952982592 BNUCAUKCCHBTBK-UHFFFAOYSA-N 406.490 1.955 0 50 HDAA Cc1nc(C2CCN(C(=O)[C@@H]3CC(=O)N(c4nnc(C(C)C)s4)C3)CC2)n[nH]1 1857719389 JZQDXKYHIJQBKZ-CYBMUJFWSA-N 403.512 1.847 0 50 HDAA N=c1[nH]c2cc(C(=O)N3CCCN(S(=O)(=O)N4CCCC4)CC3)ccc2s1 1857724908 RQBISGKJCQGUGA-UHFFFAOYSA-N 409.537 1.197 0 50 HDAA CC(C)n1ncc(C(=O)N2CCN(C(=O)[C@@H]3OC[C@@H]4COCC[C@@H]43)[C@@H](C)C2)c1Cl 2325838953 DNKXCFCWLACVFB-QBYUYEEZSA-N 424.929 1.842 0 50 HDAA COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc3c(c2)OCO3)cc1OC 802517 ITWWNYCJKARHNF-UHFFFAOYSA-N 408.432 1.692 0 50 HDAA Cc1c(C)n2c3c(=O)n(Cc4c(F)cccc4Cl)c(=O)n(C)c3nc2n1CCO 8704208 NGPMEHSWBVCNNE-UHFFFAOYSA-N 419.844 1.599 0 50 HDAA Cn1c(CN2CCOCC2)nnc1SCC(=O)Nc1nc2ccccc2s1 8997515 RTMCABRZXMJAEI-UHFFFAOYSA-N 404.521 1.988 0 50 HDAA O=C(NCCCn1nnc2ccccc21)[C@@H]1CCC(=O)N(CCc2ccccn2)C1 12306614 HGXOHRBXXWIZSU-QGZVFWFLSA-N 406.490 1.814 0 50 HDAA COc1cc(CNCC2CCOCC2)ccc1OC[C@@H](O)CN1CCSCC1 14969962 XERFEVBJPFQPJE-IBGZPJMESA-N 410.580 2.000 0 50 HDAA Clc1ccc(N2CCN(c3nc4nonc4nc3N3CCOCC3)CC2)nc1 20994494 COFOKWFPFAZIBD-UHFFFAOYSA-N 402.846 1.224 0 50 HDAA COCCn1c(CN(C)C[C@H]2COCCO2)cnc1S(=O)(=O)CCC(C)C 23339894 KTDUWTLTCYMEAE-KRWDZBQOSA-N 403.545 1.197 0 50 HDAA Cc1ncsc1C(=O)N1CCc2ccc(S(=O)(=O)NCC[C@H](C)O)cc2C1 77392395 ZWCJHRAEZXGBIK-LBPRGKRZSA-N 409.533 1.699 0 50 HDAA Cc1cc(C(=O)N2CCc3cc(S(=O)(=O)NC[C@H]4CCCO4)ccc3C2)no1 77489718 HXVAQHCBNPSHOF-MRXNPFEDSA-N 405.476 1.639 0 50 HDAA O=c1cc(N2CCC2)cnn1[C@@H]1CCCN(S(=O)(=O)c2cnn(CC3CC3)c2)C1 328604680 KVEBNYOFDQQQRC-MRXNPFEDSA-N 418.523 1.086 0 50 HDAA CC[C@H](CO)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3ccccn3)cc2)CC1 408521168 KNFFUZCUOKKTNJ-QGZVFWFLSA-N 418.519 1.411 0 50 HDAA O=S(=O)(N1CCCC1)N1CCCN(Cc2cnn(-c3cccc(F)c3)c2)CC1 826621198 FDFAYJKDDWEPDL-UHFFFAOYSA-N 407.515 1.860 0 50 HDAA CN1C(=O)N(C)C2(CCN(S(=O)(=O)Cc3ccc(Cl)cc3F)CC2)C1=O 1506402067 IHHLHJXEUXAUQU-UHFFFAOYSA-N 403.863 1.667 0 50 HDAA O=C1CN(CC(=O)N2CCC[C@]3(CCc4cnc(-c5ccccc5)nc43)C2)C(=O)N1 1704300873 AMEXVRSZSXFWAP-QFIPXVFZSA-N 405.458 1.502 0 50 HDAA CN(C)c1ncc2c(n1)[C@]1(CCCN(S(=O)(=O)c3ccc(C(=O)O)cc3)C1)CC2 1704312598 VRGJMSHLEFJSIX-HXUWFJFHSA-N 416.503 1.910 0 50 HDAA Cc1cc(=O)c(O)c(C2(CC(=O)NCCCO)CCN(C(=O)OC(C)(C)C)CC2)o1 2049513410 QHFYOPHAZBVHKX-UHFFFAOYSA-N 424.494 1.811 0 50 HDAA CCc1noc(COCC(=O)N[C@H](C)C[C@@H](C)NC(=O)C2(OC(C)C)CCC2)n1 2325828274 CIUCNOJYRGGCJH-HUUCEWRRSA-N 410.515 1.896 0 50 HDAA Cc1nn(-c2ccccc2)[nH]c1=NS(=O)(=O)c1c[nH]c(C(=O)N2CCCC2)c1 2325841771 FUMNPAXPMGYURW-UHFFFAOYSA-N 400.464 1.363 0 50 HDAA CN(C)CCCNC(=O)C(C(=O)NCCCN(C)C)C12CC3CC(CC(C3)C1)C2 4957850 SUIKEBCZNWNROT-UHFFFAOYSA-N 406.615 1.955 0 50 HDAA COCCCNC(=O)c1nn(C)c2c1CN(C(=O)[C@@H](OC)c1ccccc1)CC2 14741545 LTNPGGQPKVZBBL-IBGZPJMESA-N 400.479 1.459 0 50 HDAA COc1ccccc1CN1CCNC(=O)[C@@H]1CC(=O)NCc1cccc(F)c1F 20210202 AOOSNOOWEIRZEA-KRWDZBQOSA-N 403.429 1.980 0 50 HDAA CN(Cc1nc2ccccc2s1)C(=O)[C@H]1CCC(=O)N(CCN2CCOCC2)C1 20909966 YWPBJGBEOHLOGU-INIZCTEOSA-N 416.547 1.826 0 50 HDAA COc1ccc(OC[C@H](O)CN2CCC(O)CC2)c(CN(C)Cc2nccs2)c1 55099747 XLBSXDNKCINBAF-GOSISDBHSA-N 421.563 1.980 0 50 HDAA COC[C@H]1CCCN1S(=O)(=O)c1ccc2c(c1)CN(C(=O)c1cc(C)n[nH]1)CC2 77471396 JQAGVLAKYKEONW-QGZVFWFLSA-N 418.519 1.716 0 50 HDAA O=C(CN1CCC(c2ccccc2)CC1)N1C[C@H](CO)[C@H](CN2CCOCC2)C1 91616639 PFKYGQLQGOOTFR-FGZHOGPDSA-N 401.551 1.265 0 50 HDAA CC(C)CNc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@H](O)COc1ccccc1Cl 170624366 SUJZEHZVRBAKPO-LBPRGKRZSA-N 421.885 1.585 0 50 HDAA C[C@@H](OC[C@@H]1CCCCO1)C(=O)N1CCc2nc(NS(C)(=O)=O)sc2C1 328592201 MIPJVWGRWNQLKN-NEPJUHHUSA-N 403.526 1.374 0 50 HDAA Nc1c(O)nc(O)nc1C(=O)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 468493226 URNGHLQLGMBOLQ-UHFFFAOYSA-N 411.340 1.087 0 50 HDAA CCn1nc(C(=O)N[C@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)ccc1=O 681004010 DTKCSMQOWFIZLD-ZDUSSCGKSA-N 408.380 1.813 0 50 HDAA Cn1cccc(C(=O)NCC2CCN(c3cc(C(=O)O)c(Cl)cn3)CC2)c1=O 952976866 UYRNPIQNNRYYDS-UHFFFAOYSA-N 404.854 1.778 0 50 HDAA COc1ccc(S(N)(=O)=O)cc1C(=O)N1CCCC[C@@H]1CCn1ccnc1C 1506411532 YXXGDJICRJPZIY-OAHLLOKOSA-N 406.508 1.933 0 50 HDAA COCC(=O)N[C@@]1(C)CC2(CCN(c3nc(C)nc4ccccc34)CC2)OC[C@@H]1O 1772710676 ZHFMJJAYZDLGSD-RXVVDRJESA-N 414.506 1.580 0 50 HDAA COc1nccnc1N1CC[C@@]2(CN(C(=O)c3cnc4c(c3)CCCC4)CCO2)C1 1857687875 JGCRJRQWNUWDCN-QFIPXVFZSA-N 409.490 1.881 0 50 HDAA CCCO[C@H]1C[C@@H](C(=O)N2CCc3n[nH]cc3C2)CC[C@@H]1NC(=O)c1cc(C)on1 1857694016 WWKTYGHNOIANDM-FNHZYXHNSA-N 415.494 1.985 0 50 HDAA O=C(O)CN1CCN(C(=O)[C@H](Cc2cn(Cc3cccs3)nn2)C2CC2)CC1 1875326545 KWZRNNOZOKZNOJ-QGZVFWFLSA-N 403.508 1.185 0 50 HDAA C[C@@]1(CNC(=O)c2cc3ncccn3n2)CCCN(C(=O)[C@H]2CCc3nn[nH]c3C2)C1 1875361505 UAJOVWQHUIKPQM-QKKBWIMNSA-N 422.493 1.011 0 50 HDAA O=C(NCCN1CCCS1(=O)=O)[C@@H]1CC(c2cccc(Br)c2)=NO1 2325820482 ZQDWMVOPXWUJIF-AWEZNQCLSA-N 416.297 1.094 0 50 HDAA CCc1nc([C@@H](N)C(=O)NS(=O)(=O)c2cnn(-c3cccc(C)c3)c2)cs1 2325841502 XIMKLYQDZXBACN-MRXNPFEDSA-N 405.505 1.705 0 50 HDAA CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(Cc3ccccc3)CC2)N[C@H]1c1ccco1 2357388 ZYZSZLFMTCDSCE-OALUTQOASA-N 410.474 1.804 0 50 HDAA COCCNC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 2872016 NVHLVMDKRHTAHP-UHFFFAOYSA-N 408.476 1.905 0 50 HDAA COC(=O)C1CCN(C[C@H](O)COc2ccc(CN(C)Cc3ccon3)cc2)CC1 11818053 LYAZBYSGYXDTNA-FQEVSTJZSA-N 417.506 1.931 0 50 HDAA CC(C)CCN1CCNC(=O)[C@H]1CC(=O)NCc1cnn(-c2ccc(F)cc2)c1 12432617 IQYRXEZRIFZTKV-LJQANCHMSA-N 401.486 1.864 0 50 HDAA O=C(NC[C@@H]1CCCO1)C1CCN(C2CCN(C(=O)Cc3cccnc3)CC2)CC1 12439411 LOXNJDAVZJAKEF-NRFANRHFSA-N 414.550 1.622 0 50 HDAA Cc1cc(C)cc(CN2CCc3nnc(CCNC(=O)[C@H]4CCCN(C)C4)n3CC2)c1 14881351 NSABDKKJEOAORU-NRFANRHFSA-N 424.593 1.954 0 50 HDAA COc1ccc2cc([C@@H](C)NC(=O)CCn3nnnc3CN3CCOCC3)ccc2c1 20998392 SWOYXAMQLCEIQC-MRXNPFEDSA-N 424.505 1.935 0 50 HDAA COc1cccc(CNC(=O)C[C@@H]2C(=O)NCCN2Cc2ccc(C)o2)c1OC 39358314 MFYPFHFXNZBTFY-QGZVFWFLSA-N 401.463 1.612 0 50 HDAA CCOC(=O)c1csc(NC(=O)C[C@H]2NC(=O)N(CCc3ccccc3)C2=O)n1 223242215 ATHMCIDPCGRBTQ-CYBMUJFWSA-N 416.459 1.812 0 50 HDAA CCn1c(-c2ccco2)nnc1S(=O)(=O)CC(=O)NCCc1c(F)cccc1F 225684074 RRZVAKVEIMICFG-UHFFFAOYSA-N 424.429 1.969 0 50 HDAA O=C(C[C@H]1NC(=O)N(c2cccc3ccccc23)C1=O)NCCCN1CCOCC1 248069905 XOOBCKLHFHUCEJ-GOSISDBHSA-N 410.474 1.493 0 50 HDAA CCOc1ccc(C(=O)NC[C@H]2CCn3ncc(C(=O)N4CCOCC4)c3C2)cc1 328607345 VUFNXYKPIJHKEA-INIZCTEOSA-N 412.490 1.747 0 50 HDAA CCN(CC)CCN(C(=O)c1cncc(-c2cnn(C)c2)c1)[C@H]1CCS(=O)(=O)C1 678091331 OKZCCLFSEHGEHG-IBGZPJMESA-N 419.551 1.453 0 50 HDAA CCOc1ccccc1N1CCN(C(=O)CCN(C)[C@@H]2CCS(=O)(=O)C2)CC1 823395385 JGVMHPSOASKNOK-QGZVFWFLSA-N 409.552 1.243 0 50 HDAA COc1ccc(F)cc1C(=O)N1CCC(CNC(=O)CCCn2cncn2)CC1 952975695 OIQGWVNFLSIANQ-UHFFFAOYSA-N 403.458 1.875 0 50 HDAA O=C(CCCOc1ccccc1)N[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)CC1=CCCC1 1800411103 FNPSCRYOESFGRO-MOPGFXCFSA-N 420.531 1.744 0 50 HDAA O=C(NC[C@H]1CN(CC2CCN(CC3CC3)CC2)C(=O)CO1)c1ccc(F)cc1O 1857681097 XXMIFYQRGOIOOW-SFHVURJKSA-N 419.497 1.611 0 50 HDAA COc1ccc(CCNC(=O)CN(c2ccc(OC)c(OC)c2)S(C)(=O)=O)cc1 2991163 IIMPFCJLZJQBOK-UHFFFAOYSA-N 422.503 1.837 0 50 HDAA CN(Cc1cccc(OCCN2CCN(C(=O)C3CC3)CC2)c1)C[C@H]1CCC(=O)N1 11980258 IJNRVJOUUZDHJQ-HXUWFJFHSA-N 414.550 1.330 0 50 HDAA Cc1c(C(N)=O)sc(NC(=O)CN(C)Cc2cnn(C)c2C)c1C(=O)OC(C)C 17092753 UHWUGURMXDQGKT-UHFFFAOYSA-N 421.523 1.833 0 50 HDAA O=C(C[C@@H]1C(=O)NCCN1Cc1ccc(Cl)c(F)c1)NCCc1cscn1 20232366 JIFYCXAJFNXMMN-MRXNPFEDSA-N 410.902 1.985 0 50 HDAA O=C(CN1CCN(C(=O)N2CCOCC2)CC1)Nc1ccc(Br)cc1 54225095 MEOBVJOLHUYISV-UHFFFAOYSA-N 411.300 1.457 0 50 HDAA O=C(C[C@@H]1C(=O)NCCN1Cc1c(F)cccc1Cl)NCCc1cscn1 59308179 ZXMSMTDVDZREPT-MRXNPFEDSA-N 410.902 1.985 0 50 HDAA CN(C)S(=O)(=O)N1CCC(C(=O)NCC2(c3ccccc3)CCOCC2)CC1 72117366 GTIHRMURIFHVPX-UHFFFAOYSA-N 409.552 1.369 0 50 HDAA CN(C)[C@@H]1CCN(CCCN2CC3(CCN(C(=O)c4ccc[nH]4)CC3)OC2=O)C1 77319670 JBFPUMSHOSNLFF-QGZVFWFLSA-N 403.527 1.468 0 50 HDAA Cc1ccc(Oc2nc3c(c(=O)[nH]c(=O)n3C)n2C[C@H](O)COc2ccccc2)cc1 170624374 FSYPOLSUYVQQFC-HNNXBMFYSA-N 422.441 1.964 0 50 HDAA O=c1cc(CSc2nc[nH]n2)oc(CN2CCN(C3CCOCC3)CC2)c1O 252507516 WNOJTYDDHJWZKY-UHFFFAOYSA-N 407.496 1.052 0 50 HDAA Cc1ccccc1[C@@]1(CC(=O)N2CCN(C)[C@H](C)C2)CC(=O)N(CCN(C)C)C1=O 299758755 OYBPZDYXTUJALO-WZONZLPQSA-N 414.550 1.106 0 50 HDAA O=C(c1cc2ccccc2[nH]1)N1CCC[C@H](n2ncc(N3CC[C@H](O)C3)cc2=O)C1 328604230 JCGQUCJRCQIDGX-WMZOPIPTSA-N 407.474 1.773 0 50 HDAA CC[C@H](C(=O)N1CCCN(Cc2cc(=O)n3ccsc3n2)CC1)n1cccn1 1529127077 ZYZJEGMNTNYMFO-MRXNPFEDSA-N 400.508 1.638 0 50 HDAA COCCN1CC2(CCN(C(=O)Cn3cc4ccccc4n3)CC2)OCCC1=O 1857736783 VPNWKAZFEXCWCM-UHFFFAOYSA-N 400.479 1.293 0 50 HDAA O=C(NCC(=O)N1CC[C@H](O)[C@@](CO)(Cc2ccc(F)cc2)C1)c1ccccc1 1857739494 LYNGQAGYCFPVGD-UGKGYDQZSA-N 400.450 1.370 0 50 HDAA O=C1CSC[C@@H](C(=O)NC2(c3ccccc3)CN(C(=O)CCCC3CC3)C2)N1 1875347872 UWZQLFGSFGIAOT-KRWDZBQOSA-N 401.532 1.652 0 50 HDAA Cc1nc(=NC[C@@H]2CN(CC3CCN(CC4CC4)CC3)C(=O)CO2)[nH]c(C)c1C 2356145794 IMYKWULIBGBRPC-HXUWFJFHSA-N 401.555 1.585 0 50 HDAA CCCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1C[C@H](O)COc1ccccc1C 5027676 DILLLDUAWTUTTE-HNNXBMFYSA-N 415.494 1.394 0 50 HDAA biogenic COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)N(C)C2CCOCC2)cc1OC 12710693 QCFSQAYIWNGOQA-QGZVFWFLSA-N 405.495 1.032 0 50 HDAA Cc1cc(C)nc(CCNC(=O)C[C@H]2C(=O)NCCN2CCCc2ccccc2)n1 15072868 YCPQFZBDSQDFJT-FQEVSTJZSA-N 409.534 1.575 0 50 HDAA COc1cccc([C@@H]2CCCCN2C(=O)Cn2nnnc2CN2CCOCC2)c1 19229370 UMEYTNHQHXJAHO-SFHVURJKSA-N 400.483 1.268 0 50 HDAA Cc1cccc(NC(=O)CSc2nnc(NC(=O)CN3CCOCC3)s2)c1 19792557 BSVAYORBUVAZGT-UHFFFAOYSA-N 407.521 1.848 0 50 HDAA COc1ccc(CC2=NO[C@H](C(=O)NC[C@@H](c3cccnc3)N3CCOCC3)C2)cc1 19838890 VQTKVXPZZKDVSU-VXKWHMMOSA-N 424.501 1.967 0 50 HDAA Cc1n[nH]cc1C(=O)N1CCC[C@@H](N2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 20209728 CSAJHBSIZBFHIV-GOSISDBHSA-N 411.506 1.869 0 50 HDAA Cc1ccc(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N(C)CCn3cccn3)[C@@H]4C2=O)cc1C 77489484 RZVGNSFRSWLEJX-JCUDRXCFSA-N 420.513 1.941 0 50 HDAA C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(c2cc(N3CCN(C)C(=O)C3)ncn2)C1 170599638 VHRGIXFSXMHQOF-HZPDHXFCSA-N 418.542 1.885 0 50 HDAA O=C(NC1CC1)c1ccc(C(=O)N2CCNC(=O)[C@H]2Cc2nc3ccccc3o2)cc1 170605776 YEYBPRCPMNCWEO-GOSISDBHSA-N 418.453 1.903 0 50 HDAA CCOC(=O)[C@]12CC[C@H](N3CCOCC3)C[C@@H]1CCN(C(=O)c1ccn(C)n1)C2 216199201 KALUPQHRBGAFMU-FIKGOQFSSA-N 404.511 1.316 0 50 HDAA C[C@@H]1CO[C@H](CO)CN1C(=O)c1c[nH]nc1[C@H]1CCCN(C(=O)OC(C)(C)C)C1 252571963 YOPJPJJQLWEHLH-ILXRZTDVSA-N 408.499 1.746 0 50 HDAA Cc1nonc1CN1CCC(N2C[C@H](COc3ccc(F)cc3)OCC2=O)CC1 299795919 MCAYKMBQAISCNS-GOSISDBHSA-N 404.442 1.788 0 50 HDAA O=C1CC[C@@H](CN(Cc2ccncc2)S(=O)(=O)c2ccc3c(c2)OCCO3)N1 952977086 ZPHXFHSEMINMBD-HNNXBMFYSA-N 403.460 1.322 0 50 HDAA Nc1nc2c(c(C(=O)N3C[C@@H]4CC[C@H](C3)N(Cc3cscn3)C4=O)n1)CCCC2 1506401335 ZBPFANWWPICWHI-GXTWGEPZSA-N 412.519 1.657 0 50 HDAA Cn1nc(C(F)(F)F)cc1C(=O)N1CC[C@H](O)[C@@](Cc2ccccc2)(C(=O)O)C1 1704342051 DCRQEVDNPOCIEN-YJBOKZPZSA-N 411.380 1.959 0 50 HDAA O=C(CCc1ccsc1)N1C[C@H]2CN(C(=O)c3cccc(O)c3)C[C@]2(CO)C1 1772708138 CFKBLCBTRUZUSD-UWJYYQICSA-N 400.500 1.979 0 50 HDAA CCOC(=O)[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CCN(Cc1cnn(C)c1C)C2 1857687306 PKJRTVIRTUEXEE-KCZVDYSFSA-N 404.555 1.985 0 50 HDAA O=C(N[C@@H]1CCS(=O)(=O)C1)c1nc(C(=O)N2CCCCCC2)c2ccccn12 1858223705 BHOKQGVFXVRZIC-CQSZACIVSA-N 404.492 1.267 0 50 HDAA CN(C)CC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1n1ccnc1-c1cccc2[nH]ccc12 1875245254 RJNVXHMQTQQOIL-IAGOWNOFSA-N 401.492 1.047 0 50 HDAA COC(=O)[C@@H]1C[C@@H]1C(=O)N[C@H]1CC[C@@H](N(C)C(=O)C[C@H]2CSCCS2)CC1 1875356589 ROADRSYOBYXJNS-XFIYOXNOSA-N 414.593 1.920 0 50 HDAA CCc1c(C(=O)N2CCCN(C(=O)c3nnn(CC)c3CC)CC2)nnn1CC 2325744022 ZNBFMUKGGUIVPM-UHFFFAOYSA-N 402.503 1.023 0 50 HDAA COc1cc(S(=O)(=O)NC(=O)[C@@H]2CC[C@]3(CCOC3)O2)ccc1Br 2325829468 KQMXBHZQRVQSES-SWLSCSKDSA-N 420.281 1.601 0 50 HDAA O=C(NCc1nc(-c2cnccn2)n[nH]1)c1cc2c(s1)C1(CCNCC1)OCC2 2356140260 BCVLGMQQDWPIOC-UHFFFAOYSA-N 411.491 1.405 0 50 HDAA COc1ccc(OC)c(S(=O)(=O)N2CCC(C(=O)NCc3ccncc3)CC2)c1 667596 IVZAICGPLHYNOZ-UHFFFAOYSA-N 419.503 1.816 0 50 HDAA O=S(=O)(c1ccc(Cl)cc1)N1CCN(C(=S)NC[C@@H]2CCCO2)CC1 2857682 DNYHEJWHOMBUBM-AWEZNQCLSA-N 403.957 1.700 0 50 HDAA CCOC(=O)CNC(=S)N1CCN(c2ccc(C(=O)c3ccncc3)cc2)CC1 4629384 LRTMYCOQXGLPDM-UHFFFAOYSA-N 412.515 1.872 0 50 HDAA O=S(=O)(NC[C@@H]1CCCN(S(=O)(=O)c2cccnc2)C1)c1cccs1 12438578 VPALJEXHRAOVPD-ZDUSSCGKSA-N 401.535 1.522 0 50 HDAA COc1ccc(CN(C)CCn2cc(C(=O)N3CCSCC3)nn2)cc1OC 14965101 UTVGFENMHDAJHN-UHFFFAOYSA-N 405.524 1.616 0 50 HDAA COCCN1CCN(C(=O)CCc2nnc(CCc3ccc(OC)cc3)o2)CC1 19838125 TYKHMBLMHGUSQG-UHFFFAOYSA-N 402.495 1.587 0 50 HDAA COc1ccccc1N1CCN([C@H]2CCCN(C(=O)CN3CCCCC3=O)C2)CC1 55154081 CWDMHDYDUAZWOM-IBGZPJMESA-N 414.550 1.821 0 50 HDAA C[n+]1ccc(-c2csc(SC3=C(C(=O)O)N4C(=O)[C@@H](N)[C@H]4SC3)n2)cc1 139175737 PUUMVEONCSAXQQ-BXUZGUMPSA-O 407.522 1.265 0 50 HDAA in-vitro COC(=O)CCSc1ncccc1NS(=O)(=O)c1cnc(NC(C)=O)s1 225400410 AICAYDQGYQOFHS-UHFFFAOYSA-N 416.506 1.953 0 50 HDAA O=C1CO[C@@H](COc2ccc(F)cc2)CN1C1CCN(Cc2cncnc2)CC1 299775743 ILQIRFHBIBZLGM-HXUWFJFHSA-N 400.454 1.887 0 50 HDAA CNc1cc(N2CCC[C@@H]2CNc2ccc(S(=O)(=O)NCC3CC3)cn2)ncn1 462826943 UNRSNNWVZJYJJY-OAHLLOKOSA-N 417.539 1.683 0 50 HDAA CCn1cc(S(=O)(=O)NCCCNS(=O)(=O)c2ccc(C)cc2)c(C)n1 670445164 UHTXHHFCHHCHKW-UHFFFAOYSA-N 400.526 1.167 0 50 HDAA CC(=O)N1CCCN(C(=O)C2CCN(C)CC2)CCNC(=O)C[C@H]1c1ccccc1 952857058 WEZQESHWMNWUEY-NRFANRHFSA-N 414.550 1.657 0 50 HDAA O=C1C[C@@H](C(=O)NCCNS(=O)(=O)c2ccc(Cl)cc2)C2(CCCC2)O1 952969879 KNRWMBIVEQZFLF-AWEZNQCLSA-N 400.884 1.610 0 50 HDAA COc1cccc(CN2C[C@@H]3CN(CC(=O)O)CC[C@@H]32)c1OCCn1ccnc1 1775979860 ZXJQKQUDWZPLJS-ROUUACIJSA-N 400.479 1.561 0 50 HDAA Cn1ccc(C(=O)NC[C@H]2[C@H]3CN(Cc4nccs4)C[C@]34CC[C@H]2O4)cc1=O 1857736133 MFDWOCLMXLQYBI-QCBUCWTNSA-N 400.504 1.251 0 50 HDAA CN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1875315125 JGNZAGSXNKOBJD-QJPTWQEYSA-N 414.446 1.677 0 50 HDAA COc1cc(CC(=O)N[C@@H]2C[C@@H](NC(=O)Cc3cc(OC)no3)C23CCC3)on1 2325816602 GLWDVZXEHDXHRV-ZIAGYGMSSA-N 404.423 1.009 0 50 HDAA COC(=O)c1ccccc1NC(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O 816620 JHXIGIYZMSHJJM-UHFFFAOYSA-N 406.416 1.607 0 50 HDAA COc1ccc2ccccc2c1CNC(=O)CCn1nnnc1CN1CCOCC1 19840005 WKBMUCIGMOHKKE-UHFFFAOYSA-N 410.478 1.374 0 50 HDAA O=C1CC[C@@H](C(=O)NCc2nnc3n2CCN(Cc2ccc4ccccc4c2)CC3)N1 20294490 KDJHCIRTXQOCDA-IBGZPJMESA-N 418.501 1.384 0 50 HDAA COc1cccc(CN2CCC[C@](O)(CN3CC(n4cccn4)C3)C2=O)c1OC 67490235 LQDDVFIETZEOPX-NRFANRHFSA-N 400.479 1.311 0 50 HDAA CO[C@@H]1CC[C@H]2OCCN(c3ncnc4c3ncn4CC3(CO)CCOCC3)[C@H]2C1 888097591 KQDJHUNOTBRZPI-IXDOHACOSA-N 417.510 1.388 0 50 HDAA O=C1COc2ccc(S(=O)(=O)N3CCC[C@@H](OCc4ccccn4)C3)cc2N1 952966488 WTTLPAACTDKIDR-OAHLLOKOSA-N 403.460 1.782 0 50 HDAA CCOCC(=O)N[C@]1(C)CCOC2(CCN(c3ncnc4ccsc34)CC2)[C@H]1O 1772706517 SKSOMWITUXJUCQ-RBUKOAKNSA-N 420.535 1.723 0 50 HDAA CCOCC(=O)N1C[C@H]2CN(C(=O)CNC(C)=O)C[C@@]2(CCc2ccccc2)C1 1772711854 GRSHOPUIWJVNIS-KNQAVFIVSA-N 401.507 1.079 0 50 HDAA CC[C@@H]1[C@H](C(=O)N2CCCCC2)C[C@@H]2CN(C(=O)c3cncc(F)c3)CC(=O)N21 1857703860 UBAGYSCYBSQPMG-KZNAEPCWSA-N 402.470 1.685 0 50 HDAA Nc1cccc(C(=O)N2CCC[C@](O)(CN3CCOc4ccc(CO)cc4C3)C2)n1 1857719568 OREPHARNHBMIDM-QFIPXVFZSA-N 412.490 1.018 0 50 HDAA COc1ccccc1[C@H](NC(=O)CCn1cnc2c(cnn2C)c1=O)c1ccccn1 1875254002 CJBLDSOJLBZDQJ-FQEVSTJZSA-N 418.457 1.830 0 50 HDAA CCOc1ccc(-c2cn(C3CN(C(=O)CN4CCN(C)CC4)C3)nn2)cc1F 2332239459 YSTSQYSCIBXCGA-UHFFFAOYSA-N 402.474 1.114 0 50 HDAA Cn1c(=O)[nH]c(=O)c2c1nc(NCc1ccccc1)n2C[C@H](O)COc1ccccc1 632459 WQBDCGSPWQNPHX-INIZCTEOSA-N 421.457 1.475 0 50 HDAA O=C(COc1ccc(S(=O)(=O)NCc2ccccc2)cc1)NC[C@H]1CCCO1 807214 WYSYEYNAITYITQ-GOSISDBHSA-N 404.488 1.839 0 50 HDAA CCOC(=O)C1=C(N)N2C(=O)[C@@H](C)SC2=C(C(=O)OCC)[C@H]1c1ccc(O)cc1 1076526 BXZKMYPJYDCNQH-MFKMUULPSA-N 418.471 1.961 0 50 HDAA O=C(c1cn(CCN2CCOCC2)nn1)N1CCC[C@H](c2nc3ccccc3o2)C1 20909009 GKZKNXYWBHRROJ-INIZCTEOSA-N 410.478 1.771 0 50 HDAA COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)[C@@H](C)n1cc(C)cn1)CC2 95503202 IBYBAYKJXJFMHV-OAHLLOKOSA-N 400.483 1.025 0 50 HDAA COc1ccccc1Cc1nn2c([C@H]3CCCN(S(C)(=O)=O)C3)nnc2s1 951726885 NGUJRUWMSXEJGD-ZDUSSCGKSA-N 407.521 1.924 0 50 HDAA CC1CCC(N2C[C@H](C(=O)Nc3ccc4c(c3)S(=O)(=O)CC(=O)N4)CC2=O)CC1 1462581894 MUKNPFKISIYNBA-JVWICGRDSA-N 419.503 1.778 0 50 HDAA COC[C@H]1CCCN(S(=O)(=O)N(C)Cc2cnn(-c3cccc(OC)c3)c2)C1 1506402001 HWGTZEHOEGKYDF-INIZCTEOSA-N 408.524 1.916 0 50 HDAA CCc1nnc(N2C[C@H](C(=O)N(C)CC3CCN(CCOC)CC3)CC2=O)s1 1857668115 NKTSLTNORXTRIX-OAHLLOKOSA-N 409.556 1.270 0 50 HDAA CCc1ncnc(N2CCC3(CCc4c(O)nc(N5CCOCC5)nc43)CC2)c1F 1857717225 NSHNJIPRBVDAQF-UHFFFAOYSA-N 414.485 1.995 0 50 HDAA C[C@H](Oc1ccccc1)C(=O)N1CC(C)(C)C[C@H]1CNC(=O)[C@H](O)C1CCOCC1 1875344239 HRWHKJYEBLTHNZ-XKGZKEIXSA-N 418.534 1.985 0 50 HDAA CC(=O)NC1(CC(=O)N2C[C@H]3[C@@H](NC(=O)c4n[nH]c5ccccc45)CCC[C@H]3C2)CC1 2325823812 FSOJYOGQYOHNFL-JQHSSLGASA-N 423.517 1.979 0 50 HDAA Cn1ccc(=O)c(OCc2ccccc2)c1C(=O)N1C[C@H]2[C@@H](CO)[C@@H]3CC[C@@]2(C1)O3 2356159097 LRGOQSOWLFEZAL-XPDMDZMYSA-N 410.470 1.576 0 50 HDAA COC(=O)C1CCN(C[C@@H](O)COc2cccc(CNCC3(C)COC3)c2)CC1 11843407 WZSHLQZIOILZJM-LJQANCHMSA-N 406.523 1.437 0 50 HDAA CCn1nc(C(=O)NCc2ccc(OC)cc2)c2c1CCN(CCC(=O)OC)C2 14754882 CZFIVUMFTIQOET-UHFFFAOYSA-N 400.479 1.763 0 50 HDAA Cn1c(=S)[nH]c(O)c(C(c2ccccn2)c2c(O)[nH]c(=S)n(C)c2=O)c1=O 16214189 PKHRNGMDALOSHP-UHFFFAOYSA-N 405.461 1.186 0 50 HDAA C[C@H]1CN(C2(C(=O)NCCSc3ncn[nH]3)Cc3ccccc3C2)C[C@@H](C)O1 20255801 DIBPFBYFTILSNK-GASCZTMLSA-N 401.536 1.660 0 50 HDAA COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cccc(C(N)=O)c3)C2)cc1 72437547 SKDXVVFHIMZZRM-OAHLLOKOSA-N 417.487 1.834 0 50 HDAA Cc1ccc(CCN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N(C)Cc3ccno3)[C@H]4C2=O)cc1 77287305 DAXCYPBCKRLDGF-MXBUBSDBSA-N 407.470 1.966 0 50 HDAA COCCN(C)CCN1CC2(CCN(C(=O)c3cccc4ccnn34)CC2)OC1=O 77565648 JTWKVDRLDSFVAP-UHFFFAOYSA-N 415.494 1.340 0 50 HDAA Cc1ccc(CNC(=O)C2CCN(C(=O)c3cc4c(=O)[nH]c(C)cn4n3)CC2)cc1 169768538 FKRWJQCFJAPAJF-UHFFFAOYSA-N 407.474 1.808 0 50 HDAA CCOc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H]3C(=O)NCC[C@H]3C)CC2)cc1 225658470 ADCQNXIQIGFVPO-RDTXWAMCSA-N 423.535 1.127 0 50 HDAA Cc1noc(C)c1CN1CCc2c(C(=O)N(CCO)CCN(C)C)csc2C1 426669171 VYZMTALPSGZVCE-UHFFFAOYSA-N 406.552 1.907 0 50 HDAA COc1cc(C(=O)N2CCN(C(=O)N[C@@H]3CC(=O)N(C(C)C)C3)CC2)ccc1C 429498962 BVOIRJNBOSJQOU-QGZVFWFLSA-N 402.495 1.480 0 50 HDAA COc1ccc2oc(N3CCC[C@H](CC(=O)NCCN4CCOCC4)C3)nc2c1 1857674209 XPAOIQAQEJZMMY-MRXNPFEDSA-N 402.495 1.891 0 50 HDAA O=C(CN1CCOC1=O)NC[C@@H]1CCC[C@H](NC(=O)c2n[nH]c3c2CCCC3)C1 1857674900 CFALGXXGIZQDGS-KGLIPLIRSA-N 403.483 1.146 0 50 HDAA O=C([C@@H]1CCOC1)N1CCO[C@@]2(C[C@@H]3CC[C@H](C2)N3C(=O)c2cncc(F)c2)C1 1857681685 JAAXBKRMSRUAPN-XXLATIFVSA-N 403.454 1.622 0 50 HDAA CCN1CCC[C@H]1CN1CCC2(CC1)CC(=O)N(Cc1cnn(C)c1C)CCO2 1857683248 SVMKTKAPZWEKIN-FQEVSTJZSA-N 403.571 1.796 0 50 HDAA O=C(c1cn[nH]c1)N1CCC2(CCc3c2nc(-c2ccccc2)[nH]c3=NCCO)CC1 1857687499 UTDMROFHOKYPSY-UHFFFAOYSA-N 418.501 1.813 0 50 HDAA C=CC(=O)N[C@@H](CNC(=O)c1cc2n(n1)C[C@@H](C)NC2=O)c1ccc(C(C)C)cc1 1875386626 VTKOAWSUOYCKMU-KDOFPFPSSA-N 409.490 1.912 0 50 HDAA CCc1onc(C)c1C(=O)NCC1[C@@H]2CN(C(=O)[C@@H]3CCC[C@H](C(N)=O)C3)C[C@@H]12 2325823579 XZERENSYSZCJNN-XRGAULLZSA-N 402.495 1.271 0 50 HDAA O=C(CCn1cnnn1)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1[C@H]2Cc1ccccc1 2356146506 JFVHPBSDPBXPRE-HBFSDRIKSA-N 404.474 1.655 0 50 HDAA CCNS(=O)(=O)c1ccc(NC(=S)Nc2ccc(S(N)(=O)=O)cc2)cc1 2855593 PMMPRGOHWJVABX-UHFFFAOYSA-N 414.534 1.441 0 50 HDAA CC(C)CN1CCC(CNC(=O)C[C@@H]2C(=O)NCCN2Cc2ccccc2)CC1 11661893 DSQAFOJYJNVVQD-OAQYLSRUSA-N 400.567 1.861 0 50 HDAA COc1ccc(CC[C@H](C)N(C)CCn2cc(C(=O)N3CCN(C)CC3)nn2)cc1 14885136 OIYZUPCLOFSKFR-SFHVURJKSA-N 414.554 1.627 0 50 HDAA CCn1nc(C)c(CNC(=O)C[C@H]2C(=O)NCCN2CCCc2ccccc2)c1C 14959033 DJZHEURKRBHOIO-NRFANRHFSA-N 411.550 1.959 0 50 HDAA CN1CCN(C(=O)c2cn(CCCNC(=O)/C=C\c3cccc(F)c3)nn2)CC1 20916795 HWAKGDYZWXMWRU-SREVYHEPSA-N 400.458 1.025 0 50 HDAA COC(=O)[C@@H](C)NC(=O)N1CCN(C(=O)CCCc2c[nH]c3ccccc23)CC1 67603858 KQAXIJWFVCDVCF-OAHLLOKOSA-N 400.479 1.906 0 50 HDAA C[C@@H](O)CCNS(=O)(=O)c1ccc2c(c1)CN(C(=O)c1ccccc1O)CC2 77407597 WPOGNFOZFZCXHH-CQSZACIVSA-N 404.488 1.640 0 50 HDAA Cc1cn2nc(C(=O)N3CCC(NC(=O)Cc4ccccc4C)CC3)cc2c(=O)[nH]1 169777006 AQZPJJNDOUIZKM-UHFFFAOYSA-N 407.474 1.603 0 50 HDAA CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)c1cc(-c2cc(OC)ccc2OC)on1 225616021 JBXUMNSWKDGOMF-NWDGAFQWSA-N 419.434 1.545 0 50 HDAA COC(=O)c1cn(CC(=O)Nc2nc3ccc(OC)cc3s2)cc2c(=O)[nH]nc1-2 263587765 KYOFQFGEFPLSDD-UHFFFAOYSA-N 413.415 1.720 0 50 HDAA Cc1ccc(-c2csc3ncn(CCC(=O)N4C[C@@H](O)C[C@H]4CO)c(=O)c23)cc1 480083497 SUUIVKKIFOXKAH-HOTGVXAUSA-N 413.499 1.778 0 50 HDAA Cc1ncnc(N2CCN(C(=O)[C@H](C)N(c3ccccc3)S(C)(=O)=O)CC2)c1C 952963822 JGNRYALMNWMJQS-KRWDZBQOSA-N 417.535 1.597 0 50 HDAA CN(C[C@@H]1CCCN(CCO)C1)S(=O)(=O)c1cc(C(=O)O)c(Cl)cc1F 1506414737 RPMBXNIRGHNXQC-NSHDSACASA-N 408.879 1.502 0 50 HDAA CC(C)(C)C(=O)N[C@]1(C)CCOC2(CCN(c3cncc(C(=O)O)n3)CC2)[C@H]1O 1772710554 MYCPZNDCGSUQQT-QFBILLFUSA-N 406.483 1.216 0 50 HDAA CN(C)CC(=O)N[C@@H](CNC(=O)c1cc(-c2cccn2C)[nH]n1)c1ccccc1F 2325872237 OEMAACZSOAZNEH-SFHVURJKSA-N 412.469 1.703 0 50 HDAA CC[C@@H](Sc1nnnn1-c1ccccc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 2746355 GILKHEFYHLPHCE-OAHLLOKOSA-N 418.504 1.819 0 50 HDAA O=C([C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1)N1N=CC[C@@]1(O)C(F)(F)F 6829619 UKTUGVBXKZIHAU-IUODEOHRSA-N 405.398 1.556 0 50 HDAA Cn1c(=O)n(CCN2CCCCC2)c(=O)c2c1nc1n2CCCN1Cc1ccco1 10105097 RRNDUVYBZIDIEF-UHFFFAOYSA-N 412.494 1.386 0 50 HDAA COc1ccc(-c2noc(CN(C)CCCN3CCOCC3)n2)c(OC)c1OC 11878496 NUZVWKAVMDEDQR-UHFFFAOYSA-N 406.483 1.917 0 50 HDAA COCCn1c(CN(C)Cc2n[nH]c3c2CCCC3)cnc1S(=O)(=O)CC1CC1 12314489 TWSCXLVXAISLEX-UHFFFAOYSA-N 421.567 1.947 0 50 HDAA COCCNC(=O)c1cn([C@H]2CCCN(C(=O)Cc3c(F)cccc3Cl)C2)nn1 12333654 UQAISNSJKWGUMI-ZDUSSCGKSA-N 423.876 1.853 0 50 HDAA O=C([C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1)N1N=CC[C@]1(O)C(F)(F)F 20614108 UKTUGVBXKZIHAU-DOMZBBRYSA-N 405.398 1.556 0 50 HDAA CCCS(=O)(=O)c1ncc(CN(CC)CCn2cccn2)n1C[C@H]1CCCO1 20905800 BAMLYHZFUFLADG-GOSISDBHSA-N 409.556 1.964 0 50 HDAA CC(C)N(Cc1ccc(OC[C@@H](O)CN2CCN(C)CC2)cc1)Cc1nccn1C 20992530 MQBHDQOGLKQHSF-NRFANRHFSA-N 415.582 1.818 0 50 HDAA O=C(c1cnsn1)N1CCC[C@@H](N2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 23375456 ZIUSGKHANDYTCM-MRXNPFEDSA-N 415.519 1.689 0 50 HDAA Cc1ccc(N2C[C@]34C=C[C@H](O3)[C@H](C(=O)N3CCc5n[nH]cc5C3)[C@H]4C2=O)cc1C 77355315 AKSAOVNAOFSKJN-MXBUBSDBSA-N 404.470 1.898 0 50 HDAA Cc1cc(C)cc(NC(=O)C2CCN(C(=O)c3nnn4cc(C)[nH]c(=O)c34)CC2)c1 169768927 RPNMRALLCJTFIF-UHFFFAOYSA-N 408.462 1.834 0 50 HDAA CC1(C)CN(C(=O)[C@H]2CCCN(C(=O)CCOc3ccccc3)C2)CCN1CCO 682008093 POMWALPRPDUVFZ-IBGZPJMESA-N 417.550 1.609 0 50 HDAA CN1C(=O)[C@H](CC(=O)Nc2ccc(NC(=O)CN3CCCCC3)cc2)N(C)C1=O 828052375 WWEWXJSJJAEEBQ-INIZCTEOSA-N 401.467 1.332 0 50 HDAA Cc1sc(-n2cnnn2)c(C(=O)N[C@H]2CCCN(C(=O)c3ccco3)C2)c1C 828136801 DGILQQPURJMEGW-ZDUSSCGKSA-N 400.464 1.968 0 50 HDAA CC(C)Oc1ccc(N2C[C@H](C(=O)N3CCC(CO)(CN(C)C)CC3)CC2=O)cc1 1772704292 SPBVNUXXEOCSMT-GOSISDBHSA-N 417.550 1.989 0 50 HDAA CCCc1nnc(N2C[C@@H](C(=O)NCCc3cn4ccsc4n3)CC2=O)s1 1857668143 HMSNKQNIKOVTTP-NSHDSACASA-N 404.521 1.912 0 50 HDAA CCOC(=O)[C@@]12CC[C@H](N3CCOCC3)C[C@H]1CCN(C(=O)c1c[nH]c(=N)s1)C2 1857680437 IRUGWZYTUVAIHI-QEEYODRMSA-N 422.551 1.452 0 50 HDAA O=C(NCc1cccnc1)[C@@]12CCCCN1C[C@@H](NC(=O)[C@H]1CC[C@H](O)CC1)C2 1857688472 LJHQKFXWQQSIJS-OZIGNCPNSA-N 400.523 1.362 0 50 HDAA O=C(NC[C@H]1CCCCN1)c1sccc1S(=O)(=O)N1CCc2c[nH]nc2C1 1875304957 AKYZGGCHURZNCL-CYBMUJFWSA-N 409.537 1.090 0 50 HDAA COc1cccc(CN2CCO[C@H](c3nnnn3C)C2)c1OCCCn1ccnc1 2100537795 WKFMNVHBDKFFCM-SFHVURJKSA-N 413.482 1.458 0 50 HDAA O=C(NC[C@H]1CC2(CCNCC2)C(=O)O1)[C@@H]1CCc2ncc(Br)n2C1 2325854162 QDWFGHVVSVYSPD-VXGBXAGGSA-N 411.300 1.010 0 50 HDAA COc1ccc(OC)c(S(=O)(=O)N(C)CC(=O)Nc2ccc3c(c2)OCO3)c1 1071809 SMFMBUOZQQTRRW-UHFFFAOYSA-N 408.432 1.692 0 50 HDAA COc1ccc(CC(=O)NC[C@@H]2CCCN(C(=O)CCC3=NNC(=O)CC3)C2)cc1 11843753 MCZNSXPJSBDFFO-KRWDZBQOSA-N 414.506 1.639 0 50 HDAA Cc1ccc(CN2CCNC(=O)[C@H]2CC(=O)N(C)CCCCN2CCOCC2)cc1 20452393 HQBGAVXELPGWEC-OAQYLSRUSA-N 416.566 1.256 0 50 HDAA Cn1c(=O)[nH]c(=O)c2c1nc(CN1CCOCC1)n2Cc1c(F)cccc1Cl 20533581 SQWFGBIEPNWZLD-UHFFFAOYSA-N 407.833 1.096 0 50 HDAA Cn1ccc(CC(=O)N2CC[C@@H](N3CCN(c4ccccc4F)CC3)[C@H](O)C2)c1 20999475 RWAQNOHWKVCCMQ-NHCUHLMSSA-N 400.498 1.491 0 50 HDAA COc1ccc(C(=O)N2C[C@H](O)[C@@H](N3CCC(OCc4ccccn4)CC3)C2)cc1 39362767 IWIYEJJKVNFIQU-VXKWHMMOSA-N 411.502 1.957 0 50 HDAA COc1cccc(CN2CC[C@@]3(O)CCNC[C@H]3C2)c1OCCCn1ccnc1 91724428 JCQZTSJUECZPHW-UGKGYDQZSA-N 400.523 1.907 0 50 HDAA COc1ccc(C(=O)COC(=O)[C@H](C)N2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]5C[C@H]54)[C@H]3C2=O)cc1 245311711 QOIYRHHYTUAKSA-SACJBBJSSA-N 409.438 1.863 0 50 HDAA COc1ccc([C@@H]2[C@@H](CO)OCCN2C(=O)CN(C)Cc2ccncc2)cc1OC 1529172774 OGNDIUFDKAZWMB-IFMALSPDSA-N 415.490 1.492 0 50 HDAA CN(C)C[C@@]12CN(C(=O)Cc3cccnc3)C[C@@H]1CN(C1CSCCSC1)C2 1772813024 SZMXQRAIIDLOGV-GHTZIAJQSA-N 420.648 1.795 0 50 HDAA CCCO[C@@H]1CC[C@H](C(=O)N2CCNC(=O)C2)C[C@H]1NC(=O)c1cccc(F)c1 1857688435 JMYIXHBRBMEOEW-CGTJXYLNSA-N 405.470 1.478 0 50 HDAA COc1cc(NS(=O)(=O)c2cc(C(=O)NC(=N)N)ccc2OC)cc(OC)c1 1875362831 VLRXFBSTZNAZGD-UHFFFAOYSA-N 408.436 1.136 0 50 HDAA O=C(c1cn[nH]c1)N1CC[C@@H]2C[C@H](N3CCOCC3)CC[C@@]2(C(=O)NC2CC2)C1 2100483484 XJQXWTXDHKQLDI-HGHGUNKESA-N 401.511 1.022 0 50 HDAA CNc1ccc(Cl)c(C(=O)NC[C@@H](NC(=O)[C@H]2CNC(=O)N2)C2CCCC2)c1 2325861372 OEQKSGCZRFDRRT-HZPDHXFCSA-N 407.902 1.468 0 50 HDAA COCCN1C(=O)C[C@@](CC(=O)N(CCOC)C(C)C)(c2ccccc2OC)C1=O 14881707 JMQOPQJNIXKXNO-QFIPXVFZSA-N 420.506 1.612 0 50 HDAA COC(=O)c1ccc(CNCC[C@H]2CCC(=O)N2CCCN2CCOCC2)cc1 14958470 HBOLKXAYILMJFU-HXUWFJFHSA-N 403.523 1.666 0 50 HDAA Nc1nc(SCC(=O)NCCCN2CCOCC2)nc2sc3c(c12)CCC3 20057870 SGAFJPFVEMGBCE-UHFFFAOYSA-N 407.565 1.693 0 50 HDAA COc1cccc(C(=O)N2CCN(c3cc(-n4ccnc4C)ncn3)CC2)c1OC 67602082 LETYJUDGMRQTLC-UHFFFAOYSA-N 408.462 1.950 0 50 HDAA COc1cccc(S(=O)(=O)NCCNc2ccc(-n3nc(C)cc3C)nn2)c1 67623135 UMKTUCFHELXPDN-UHFFFAOYSA-N 402.480 1.678 0 50 HDAA O=C(c1ccc[nH]1)N1CCc2ccc(S(=O)(=O)NCCCn3ccnc3)cc2C1 77387909 GXZSWOYHOSOWLO-UHFFFAOYSA-N 413.503 1.778 0 50 HDAA CCCS(=O)(=O)N1CCC(N2CCC[C@@H](C(=O)NCc3cccnc3)C2)CC1 82106898 NERCEBWHLYBNCH-GOSISDBHSA-N 408.568 1.614 0 50 HDAA CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)CS1(=O)=O 144542146 YHYKUSGACIYRML-KRWDZBQOSA-N 409.418 1.627 0 50 HDAA investigational COc1ccc(OC)c(CN2CCN(C(=O)c3ccc4nnc(S)n4c3)CC2)c1 241810044 SCQLRFYEBVUPGI-UHFFFAOYSA-N 413.503 1.993 0 50 HDAA COc1ccc(CN[C@H]2CC[C@@H](n3cc(C(=O)NCCO)nn3)CC2)c(C)c1C 247867291 BHHAONSMJJLUPO-HDICACEKSA-N 401.511 1.899 0 50 HDAA Cc1sc2nc(CCNC(=O)[C@@H](c3ccccc3)n3cnnn3)nc(O)c2c1C 828400556 PJGRNWBGAYCALW-MRXNPFEDSA-N 409.475 1.949 0 50 HDAA Cn1oc(C(=O)N2CC[C@@](c3nc(-c4cccnc4)no3)(C(F)(F)F)C2)cc1=O 952892913 JQZCJCLLZODKII-MRXNPFEDSA-N 409.324 1.770 0 50 HDAA COc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3cccnc3)CC2)cc1OC 806881 NGMVIBPLPRZMGD-UHFFFAOYSA-N 419.503 1.816 0 50 HDAA COc1ccc(NC(=O)CN2CCC(C(N)=O)(N3CCCCC3)CC2)c(OC)c1 4813893 IFRJPRQEOFBVHW-UHFFFAOYSA-N 404.511 1.448 0 50 HDAA COC(=O)C1CCN(Cc2ccc3c(c2)CN(C(=O)c2ccnn2C)CCO3)CC1 12077990 BWVWKMRWZPLBPI-UHFFFAOYSA-N 412.490 1.840 0 50 HDAA NC(=O)C1(N2CCCCC2)CCN(C(=O)[C@H]2CCC(=O)N(C3CCCC3)C2)CC1 12586192 LEHVBJSOPUVJQC-KRWDZBQOSA-N 404.555 1.500 0 50 HDAA COCCCNC(=O)c1nn(C)c2c1CN(C(=O)Cc1c[nH]c3ccccc13)CC2 14542996 IGHPWOSNMZYEJE-UHFFFAOYSA-N 409.490 1.795 0 50 HDAA CCS(=O)(=O)N1CCC(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)CC1 20046444 ARAISMOLAQTGSZ-UHFFFAOYSA-N 423.535 1.121 0 50 HDAA COc1cc(F)ccc1-c1ccc(=O)n(CC(=O)N2CCN(c3ccccn3)CC2)n1 44894084 IPQMMRMTTQWTSU-UHFFFAOYSA-N 423.448 1.802 0 50 HDAA Cn1cc(NC(=O)CN2CCC(N3CCC[C@@H](C(=O)N4CCCC4)C3)CC2)cn1 71439698 POEYESKBEYBVED-QGZVFWFLSA-N 402.543 1.157 0 50 HDAA O=C(CC[C@H]1N=C(O)N(c2ccccc2)C1=O)N1CCN(Cc2cccnc2)CC1 252492370 MKCKZLHJLDBGOW-LJQANCHMSA-N 407.474 1.835 0 50 HDAA O=C(c1c[nH]nc1[C@@H]1CCCN(C(=O)c2cccc3c2OCO3)C1)N1CCOCC1 328606726 SPYYHXJODQTMCB-CQSZACIVSA-N 412.446 1.631 0 50 HDAA Cc1nc(C2CCN(C(=O)C[C@@H]3C(=O)NCCN3Cc3ccc(C)o3)CC2)n[nH]1 426661961 FYXFMKXEJYXVAG-QGZVFWFLSA-N 400.483 1.111 0 50 HDAA Cn1c(=O)c2c(ncn2CCN(CCc2ccccc2)Cc2cccnc2)n(C)c1=O 429285172 NQRWCIHSTXVXDO-UHFFFAOYSA-N 418.501 1.574 0 50 HDAA COCCN1CCC[C@@H](NC(=O)c2ccc3c(=O)n(-c4ccccc4)c(O)nc3c2)C1 729984247 YEDJGBKXZIMTMX-QGZVFWFLSA-N 422.485 1.932 0 50 HDAA Cc1nnnn1-c1cccc(NC(=O)C[C@H]2C(=O)NCCN2Cc2ccc(F)cc2)c1 952988067 NASYFLOCUZFTNA-IBGZPJMESA-N 423.452 1.439 0 50 HDAA Cc1[nH]c(C(=O)N2C[C@@H]3CN(Cc4ccns4)C[C@]3(CO)C2)c(C)c1C(=O)O 1772819712 QPJXOSKDQMTUNX-ORAYPTAESA-N 404.492 1.353 0 50 HDAA CCN1CC[C@@H]2C[C@@H](N3CCOCC3)CC[C@@]2(C(=O)NCc2nc(COC)no2)C1 1857683656 LJHGNROYWJWCFS-LLGFUMIMSA-N 421.542 1.045 0 50 HDAA O=C1CC[C@H](N2Cc3c(C(=O)N[C@H]4CNc5ccccc5C4)cccc3C2=O)C(=O)N1 2325896248 VAWDOGVANMUDGQ-KUHUBIRLSA-N 418.453 1.214 0 50 HDAA CC(=O)N1CCCc2cc(S(=O)(=O)N3CCC[C@@]34CCCN(C)C4=O)ccc21 2356170872 OXANGPJIUNIQER-HXUWFJFHSA-N 405.520 1.761 0 50 HDAA CCCN1CCN(Cc2cnc(S(=O)(=O)CCC(C)C)n2CCOC)CC1 20542778 VAESTHTWPGUIMT-UHFFFAOYSA-N 400.589 1.877 0 50 HDAA Cc1nc(N2CCN(C)CC2)cc(N2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)n1 21794624 FXSVCZLICKICAN-UHFFFAOYSA-N 424.505 1.228 0 50 HDAA COc1cc(CN2CCC(F)(F)CC2)ccc1OC[C@@H](O)CN1CCOCC1 95524196 XXNMFAIKPCEBAK-KRWDZBQOSA-N 400.466 1.998 0 50 HDAA COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)CN(C)C1CCCC1)CC2 95529028 YVSOALBFODXTOT-UHFFFAOYSA-N 403.527 1.133 0 50 HDAA CCS(=O)(=O)CCOc1ccc(S(=O)(=O)N[C@@H](C)c2cncs2)cc1 170619745 AVGOQPABDMREJR-LBPRGKRZSA-N 404.535 1.996 0 50 HDAA CCN1CCN(c2ccc(F)cc2[C@@H](C)NC[C@H]2CCN(S(C)(=O)=O)C2)CC1 225771699 DQVISVZOCKKQRM-IAGOWNOFSA-N 412.575 1.900 0 50 HDAA COC(=O)CCN(C(C)=O)c1ccc(-n2cc(C(=O)OC)c3n[nH]c(=O)c-3c2)cc1 253408147 KLELFKBGKYKMPJ-UHFFFAOYSA-N 412.402 1.368 0 50 HDAA O=C(NC[C@@H]1CN(CC2CCN(CC3CC3)CC2)C(=O)CO1)c1cccc(F)c1 299765327 FNDRKZAVOXVBDH-HXUWFJFHSA-N 403.498 1.905 0 50 HDAA O=C(NC[C@@H]1CN(CC2CCN(CC3CC3)CC2)C(=O)CO1)c1n[nH]cc1Cl 299778922 PDYUYWDGAKYJKU-OAHLLOKOSA-N 409.918 1.142 0 50 HDAA CCc1ccc(CN2CCc3c(C(=O)N4CC[C@H](O)[C@@H](O)C4)csc3C2)nc1 426677828 CYGSESUDRUGJKR-OALUTQOASA-N 401.532 1.832 0 50 HDAA C[C@H](NC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 748846251 KSWOULCMLAJCIF-ZNMIVQPWSA-N 405.499 1.914 0 50 HDAA CC(=O)N1CCOc2ccc(S(=O)(=O)N[C@@H]3COC[C@H]3Cc3ccncc3)cc21 1704300920 ZLUNVMALNXFSOW-SJLPKXTDSA-N 417.487 1.363 0 50 HDAA COc1ccc(S(N)(=O)=O)cc1C(=O)N[C@H]1CCCC12CCN(C(C)=O)CC2 1857676712 WSMKGPNBDDKULT-KRWDZBQOSA-N 409.508 1.254 0 50 HDAA CCOCCNC(=O)[C@H]1C[C@H]2CN(C(=O)COc3ccccc3)CC(=O)N2[C@H]1CC 1857713265 NYESWDNDHYHVEK-WDSOQIARSA-N 417.506 1.056 0 50 HDAA CCn1cc(C(=O)N2C[C@@H]3CCC[C@]3(CNC(=O)c3ccnc4ccnn34)C2)cn1 1875307400 DULZMORSGZJDHM-KKSFZXQISA-N 407.478 1.618 0 50 HDAA COc1ccccc1N1CCC[C@@H](NC(=O)CCCCN2C(=O)CCC2=O)C1=O 1875348101 XHTKIZIHSXRGOE-OAHLLOKOSA-N 401.463 1.626 0 50 HDAA CCc1nnc(-c2cccc(NC(=O)C(=O)N3CCC[C@H](c4cc[nH]c(=N)n4)C3)c2)o1 1875353505 VMGSEJGJSPQAEG-AWEZNQCLSA-N 421.461 1.846 0 50 HDAA O=C(Cc1ccc(F)c(Cl)c1)N[C@H]1CCC[C@H]1NC(=O)[C@H](O)Cc1cnc[nH]1 2325860371 FTIFSCSQWGXECL-GVDBMIGSSA-N 408.861 1.502 0 50 HDAA CN(C)c1ncc2c(n1)[C@@]1(CCCN(C(=O)c3ccc4c(=O)n(C)cnc4c3)C1)CC2 2356158732 XIXYNJBFBVIRDL-QHCPKHFHSA-N 418.501 1.910 0 50 HDAA Cc1nc(CC(=O)N2CCC(N3CCC(C(=O)N4CCOCC4)CC3)CC2)cs1 12225469 CNBJSHHUVAXCCW-UHFFFAOYSA-N 420.579 1.556 0 50 HDAA CN(Cc1ccn[nH]1)C1CCN(c2ccc(C(=O)N[C@H]3CCCCNC3=O)cc2)CC1 12241601 WNGFQBVRFWJTML-NRFANRHFSA-N 424.549 1.909 0 50 HDAA CC1CCN(Cc2nnnn2CC(=O)N(Cc2ccncc2)C[C@@H]2CCCO2)CC1 12306821 UWRKIWYDZADLNP-IBGZPJMESA-N 413.526 1.508 0 50 HDAA COc1ccc(C[C@@H]2NC(=O)[C@@H]3C[C@H](NC(=O)Nc4ccccc4)CN3C2=O)cc1 14743516 VQLBMLANFPHBDA-WDSOQIARSA-N 408.458 1.527 0 50 HDAA O=C(COc1cccc(-n2cnnn2)c1)N[C@@H]1CCCN(CCc2ccccc2)C1 72474247 WBKIPCUMGIRADK-LJQANCHMSA-N 406.490 1.864 0 50 HDAA CCNC(=O)c1ccc(N2CC[C@H](N3CCN(C)CC3)[C@H](CCC(=O)O)C2)nc1 91452614 WRZWTQMQKITGKN-MSOLQXFVSA-N 403.527 1.138 0 50 HDAA CN1CCN(CCNC(=O)c2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)CC1(C)C 1325162013 RYFMWSBFVHZMRT-GOSISDBHSA-N 401.555 1.144 0 50 HDAA Cc1cc(C(=O)N[C@@]2(C)CC3(CCN(Cc4nccs4)CC3)OC[C@@H]2O)n(C)n1 1772705544 NYOBBHVAIGWEPL-LPHOPBHVSA-N 419.551 1.490 0 50 HDAA Cc1cc(C(=O)N[C@@H]2CN3CCCC[C@@]3(C(=O)N3CCCN(C)CC3)C2)c(C)o1 1857704851 IEMWPCYHMRCBMM-AVRDEDQJSA-N 402.539 1.787 0 50 HDAA CCOC(=O)c1cnc(N2CCN(c3nn4c(C)cc(=O)nc4s3)CC2)s1 1875260712 KQDFBBICQLLAKL-UHFFFAOYSA-N 406.493 1.419 0 50 HDAA C=CC(=O)N1CCCc2cc(C(=O)N(C)C3CCN(S(C)(=O)=O)CC3)ccc21 1875371976 SKYDLEHCVZUJPQ-UHFFFAOYSA-N 405.520 1.648 0 50 HDAA COc1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1S(=O)(=O)N(C)C 7499702 BUFYDJNWHKDBEB-UHFFFAOYSA-N 403.504 1.908 0 50 HDAA CCOc1ccccc1CN1CCN(CCn2cc(C(=O)NC(C)C)nn2)CC1 19957742 NGSHDAFPYMQONX-UHFFFAOYSA-N 400.527 1.633 0 50 HDAA O=C([C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)N1CCN(CCO)CC1 19972551 JPEJPTBGIFIOSI-FQEVSTJZSA-N 407.470 1.030 0 50 HDAA Cc1ccc(C)c(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N(C)Cc3cc[nH]n3)[C@@H]4C2=O)c1 77376175 QCOALOYPLVCLQH-VAWZGJIGSA-N 406.486 1.967 0 50 HDAA Cc1nnc(NS(=O)(=O)c2ccc3c(c2)CN(S(=O)(=O)C2CC2)CC3)s1 77520509 OYQYDQLJPHGBTC-UHFFFAOYSA-N 414.534 1.498 0 50 HDAA COC(=O)C1=C(O)[C@H](C(=O)OC)[C@]23CCCC[C@@]12[C@@H](C(=O)OC)C(O)=C3C(=O)OC 101083959 KRFQNBNYNBJKLD-HLWBKQDOSA-N 424.402 1.109 0 50 HDAA COc1ccc(-c2cc(C(=O)N[C@@H](CO)C(C)C)nn2[C@@H]2CCS(=O)(=O)C2)cc1 252509974 YZJAGNYACVKQQR-QAPCUYQASA-N 421.519 1.665 0 50 HDAA Cc1nc(=N)[nH]cc1C(=O)N1CCC[C@]2(CCc3c(O)nc(-c4cccnc4)nc32)C1 1857707843 MAFLUNMCVFSZLD-QFIPXVFZSA-N 417.473 1.875 0 50 HDAA COCCc1noc(CNC(=O)C[C@H]2CCCN(c3nc4ncccc4o3)C2)n1 1857731478 RNYQVYPSEPFZPW-CYBMUJFWSA-N 400.439 1.718 0 50 HDAA CN(C)CCN(C[C@H]1CCCN(Cc2ccccc2F)C1)C(=O)C1(C(N)=O)CC1 12073009 YCGJXKHJNYVKTH-KRWDZBQOSA-N 404.530 1.693 0 50 HDAA COc1ccccc1CCNC(=O)[C@@H]1C[C@@H](n2cnnn2)CN1CCc1ccccc1 12245098 ZEVCPCQRVGHBEQ-RTWAWAEBSA-N 420.517 1.899 0 50 HDAA O=C(Cc1csc(-c2ccccc2)n1)N1CCN(S(=O)(=O)N2CCCC2)CC1 19715058 YIBWLNAQXALYBU-UHFFFAOYSA-N 420.560 1.837 0 50 HDAA Cn1ccc(NC(=O)CN2CCC(N3CCC[C@H](C(=O)N4CCCC4)C3)CC2)n1 71738571 REBLHTIWMPZENS-KRWDZBQOSA-N 402.543 1.157 0 50 HDAA CN(CCn1cccn1)C(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(Cc4ccc(F)cc4)C(=O)[C@H]13)O2 77438940 JKUHESCQGSFEPY-WEMPKCCASA-N 410.449 1.463 0 50 HDAA CCOC(=O)[C@H]1CCN(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)c2ccccc21 170602753 LVUHACFWZLALTH-KRWDZBQOSA-N 417.487 1.830 0 50 HDAA COc1ccc(CCNC(=O)C[C@H]2NC(=O)N(Cc3ccc(OC)cc3)C2=O)cc1 206233383 DOPNTPOEMSXDGS-LJQANCHMSA-N 411.458 1.873 0 50 HDAA CC[C@H](C)[C@@H](CO)NC(=O)CC[C@H]1N=C(O)N(Cc2ccc(OC)c(OC)c2)C1=O 252538973 NOSGGHBIEWKMEN-NUEKZKHPSA-N 421.494 1.632 0 50 HDAA C[C@H](C(=O)N1CC[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1)N1CCSCC1 253417675 DGRPRAHMKSLUCM-IAGOWNOFSA-N 412.600 1.577 0 50 HDAA COCCNC(=O)[C@@H]1C[C@@H](NC2CCN(Cc3ccccc3)CC2)CN1C(C)C 299777220 PQGZQKHHSSQBSP-YADHBBJMSA-N 402.583 1.855 0 50 HDAA CC[C@H](NC(=O)CCCN1CCN(C(C)C)CC1)c1cccc(S(N)(=O)=O)c1 1447943878 LTUCMHVCYGCJSV-IBGZPJMESA-N 410.584 1.708 0 50 HDAA CSCC(=O)N1C[C@@H]2CN(CCC(=O)N3CCc4ccccc4C3)C[C@]2(CO)C1 1772710592 BWDYRZRQPPELNS-SIKLNZKXSA-N 417.575 1.077 0 50 HDAA CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)Nc1ccc(OC(F)(F)F)cc1 1875244448 KUMSCMLKXOCWIH-GXFFZTMASA-N 411.402 1.613 0 50 HDAA Cn1cc(C(=O)NC23CCC(n4cc(-c5ccc(C(=O)O)cn5)nn4)(CC2)C3)cn1 1875326495 JGVCPSYYHAGQHW-UHFFFAOYSA-N 407.434 1.614 0 50 HDAA O=C(CCc1cccc2c1B(O)OC2)NCc1cccc(NC(=O)c2ccncc2)c1 1875368680 KMDCMCWYVALLEH-UHFFFAOYSA-N 415.258 1.801 0 50 HDAA O=C(c1ccc(O)nc1)N1CCC2(CCc3c(O)nc(N4CCOCC4)nc32)CC1 1940195777 MARYENMUOYWEGM-UHFFFAOYSA-N 411.462 1.240 0 50 HDAA Cc1nn(-c2ccc(F)cc2)c(C)c1CNC(=O)C[C@@H]1C(=O)NCCN1C(C)C 12574886 CHYNSLXNUAAXEM-LJQANCHMSA-N 401.486 1.843 0 50 HDAA CCN1CCN(C[C@@H](O)COc2ccc(CNCCCOC(C)C)cc2OC)CC1 23374830 JSEIWOONWGDOSX-OAQYLSRUSA-N 423.598 1.977 0 50 HDAA Cc1ccc(C)c(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N(C)Cc3cc[nH]n3)[C@H]4C2=O)c1 77376178 QCOALOYPLVCLQH-MXBUBSDBSA-N 406.486 1.967 0 50 HDAA CS(=O)(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](c3ncno3)C2)c(F)c1 170606657 BAYFCRJAUBPKON-SNVBAGLBSA-N 404.445 1.149 0 50 HDAA CCc1nc(CN2CCC(N3C[C@H](COc4ccc(F)cc4)OCC3=O)CC2)n[nH]1 299775342 BJDKDTNWEJBIHB-GOSISDBHSA-N 417.485 1.777 0 50 HDAA O=C(NC[C@H]1CN(CC2CCN(CC3CC3)CC2)C(=O)CO1)c1n[nH]cc1Cl 299778917 PDYUYWDGAKYJKU-HNNXBMFYSA-N 409.918 1.142 0 50 HDAA FC(F)(F)[C@]1(c2nc(-c3cccnc3)no2)CCN(c2nccn3nnnc23)C1 952895303 ZPTQZNBWNKSDRO-OAHLLOKOSA-N 403.328 1.675 0 50 HDAA Cn1nc(C(=O)N2CCCN(S(=O)(=O)N3CCCCC3)CC2)c2ccccc21 952980517 HIMKJZSZEWMJTJ-UHFFFAOYSA-N 405.524 1.452 0 50 HDAA COc1cc(S(=O)(=O)N2C[C@@H]3CCOC[C@]3(C(=O)O)C2)c(OC)cc1Cl 1857669836 HTQZOIQVSHIXCV-MGPLVRAMSA-N 405.856 1.469 0 50 HDAA OC1CN(c2nc(-c3cccnc3)nc3c2CC[C@]32CCCN(Cc3ncc[nH]3)C2)C1 1875250195 FJJXXNCTZWUQNH-QHCPKHFHSA-N 417.517 1.923 0 50 HDAA CCN1C[C@@H](C(=O)N2CCCC[C@H](NC(=O)c3cccc(C)c3N)C2)CCC1=O 2325864254 JZYZOTMXGHPZLE-IRXDYDNUSA-N 400.523 1.947 0 50 HDAA O=C1CC[C@H](N2Cc3c(C(=O)Nc4cccc(C(=O)O)c4)cccc3C2=O)C(=O)N1 2325896799 HFJOBPRSZRALRG-INIZCTEOSA-N 407.382 1.398 0 50 HDAA CN1CCN(C(=O)c2cc3c(s2)C2(CCNCC2)OCC3)CC12CCOCC2 2356160329 NBPRRVOAVMGLMT-UHFFFAOYSA-N 405.564 1.836 0 50 HDAA Cn1c(=O)[nH]c(=O)c2c1nc(S)n2C[C@H](O)COc1ccc(Cl)cc1Cl 828751 LZLCBDONPUCBGN-QMMMGPOBSA-N 417.274 1.459 0 50 HDAA O=C1N[C@H](c2ccc(C(=O)O)cc2)[C@@H](C(=O)c2cccnc2)[C@@](O)(C(F)(F)F)N1 4269946 STPNFWCLOASSPC-OGHNNQOOSA-N 409.320 1.884 0 50 HDAA CC1=C(C(=O)N2CCC(N3CCC(C(=O)NC[C@@H]4CCCO4)CC3)CC2)OCCO1 11878224 LSKOCTNJVRIYHH-IBGZPJMESA-N 421.538 1.263 0 50 HDAA COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)N2CCC(OC)CC2)c(C)c1C 12198697 LYBVMDRVGZKGGN-LJQANCHMSA-N 403.523 1.640 0 50 HDAA COc1ccc(C(=O)N(C)Cc2ccccc2)cc1S(=O)(=O)N1CCOCC1 13945928 AVOVEJXXDXRYSW-UHFFFAOYSA-N 404.488 1.988 0 50 HDAA COc1ccc(C[C@@H]2NC(=O)[C@H]3CN(C(=O)OCc4ccccc4)CCN3C2=O)cc1 14754444 ADOBJLWWKVJLHD-VQTJNVASSA-N 423.469 1.586 0 50 HDAA CN(C)S(=O)(=O)N1CC[C@H]2[C@H](CCCN2C(=O)Cc2cc(F)ccc2F)C1 14976455 PILCFHDTJQMPMB-DYVFJYSZSA-N 401.479 1.627 0 50 HDAA COc1ccc(CNCCCn2cccn2)cc1OC[C@H](O)CN1CCN(C)CC1 19635688 ULLRWFSDIHZTIL-HXUWFJFHSA-N 417.554 1.059 0 50 HDAA CCOC(=O)N1CCN(C(=O)Cn2nc(-c3ccccc3Cl)ccc2=O)CC1 61717884 AJNUQNLZQZFZGA-UHFFFAOYSA-N 404.854 1.864 0 50 HDAA O=C([C@H]1[C@@H]2C=C[C@@]3(CN(CCc4ccncc4)C(=O)[C@H]13)O2)N1CCC(F)(F)CC1 77303767 XSLWGEGAVYVFBB-BOSXTWCSSA-N 403.429 1.664 0 50 HDAA CCc1noc(C)c1C(=O)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)COC 95501877 BNKOOIIOEVRINS-UHFFFAOYSA-N 401.467 1.431 0 50 HDAA COc1ccc(CN2C(=O)N[C@H](CC(=O)NCCc3ccccn3)C2=O)cc1OC 206239992 BMYXCYCVANWOFA-MRXNPFEDSA-N 412.446 1.268 0 50 HDAA COc1cc(CN2CCC[C@H]2c2nc(C)no2)ccc1OCC(=O)N1CCOCC1 516348151 OYKDVRFXKFQCNF-KRWDZBQOSA-N 416.478 1.961 0 50 HDAA O=C(NC12C[C@@H]3C[C@H](C1)CC(n1ncnn1)(C3)C2)[C@H]1CCCN(C2CCOCC2)C1 670439922 IFKLBSVYKAQMQM-VVLBCNRYSA-N 414.554 1.728 0 50 HDAA Cc1cnccc1N1CCCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 952962763 CQGYZXDCJAZXEK-UHFFFAOYSA-N 402.476 1.622 0 50 HDAA CN(C)C(=O)CN1CCCN(C(=O)C23C[C@@H]4C[C@H](C2)CC(n2cncn2)(C4)C3)CC1 952985670 GQNKFDDTSCUETH-OTXOEQGISA-N 414.554 1.196 0 50 HDAA Cc1cc([C@](C)(O)CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)Cc2ccccc2F)c(C)o1 1465431836 DGIXZOFNDBTARY-GTCCEBARSA-N 418.465 1.564 0 50 HDAA Cc1nc(O)cc(CN2CCC[C@H](CNC(=O)CCN3CCCCCC3=O)C2)n1 1506413498 RMTBIGPBUKCSOS-QGZVFWFLSA-N 403.527 1.612 0 50 HDAA CN(Cc1ccccc1CS(=O)(=O)c1ccccc1)[C@@H]1CS(=O)(=O)C[C@H]1O 1506421088 URPIJAZXUQDBOH-RTBURBONSA-N 409.529 1.250 0 50 HDAA COc1cc2c(cc1OC)C1(CCN(C(=O)[C@@H]3CCCN3C(N)=O)CC1)OCC2 1704333701 DYZIYXAGCBVCRU-INIZCTEOSA-N 403.479 1.637 0 50 HDAA CCOc1ccc(CN2CCC3(CC2)C[C@](C)(NC(=O)COC)[C@@H](O)CO3)cn1 1772709701 PFSLGNKLVVSSQT-PXNSSMCTSA-N 407.511 1.117 0 50 HDAA Cn1cc(CN2CCC[C@@]3(CCc4c3nc(-c3cccnc3)[nH]c4=NCCO)C2)cn1 1875249785 ASOKYBAUDSSSEQ-HSZRJFAPSA-N 419.533 1.578 0 50 HDAA CCN1CCO[C@H](CNC(=O)N2CCN([C@H](CO)c3cccc(Cl)c3)CC2)C1 1875261835 FTHUOFTVWQEOTE-RTBURBONSA-N 410.946 1.421 0 50 HDAA N[C@@H]1CN(C(=O)C(=O)N2CCC(OC[C@H]3CCOC3)CC2)C[C@H]1c1ccc(F)cc1 1875309556 CESZLXZIKPOZFL-RYGJVYDSSA-N 419.497 1.123 0 50 HDAA CN=c1ccc(C(=O)N2CC[C@@H]3[C@H](CCCN3C(=O)c3n[nH]c(C)c3Cl)C2)c[nH]1 1875322498 VGXSCEIFQULYOZ-HUUCEWRRSA-N 416.913 1.997 0 50 HDAA CN1CCCC[C@H](C(=O)NCC2CCN(C(=O)c3cn(C)nc3Cl)CC2)C1=O 2325823210 KAPNJAXTVVUMDY-CQSZACIVSA-N 409.918 1.300 0 50 HDAA CC(=O)c1cccc(COc2ccc3c(c2)C(=O)N([C@H]2CCC(=O)NC2=O)C3=O)c1 2325897726 GCSHODDYIBLPBU-SFHVURJKSA-N 406.394 1.869 0 50 HDAA COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)N2CCC(OC)CC2)cc1OC 11662664 WFWQIARWVRRQOG-QGZVFWFLSA-N 405.495 1.032 0 50 HDAA CC(C)[C@H](NS(C)(=O)=O)c1nnc2n1CCN(Cc1ccc(F)c(F)c1)CC2 12127174 DCEOLFDNGDZJIP-KRWDZBQOSA-N 413.494 1.861 0 50 HDAA COc1ccc(-c2nc3ncc4c(=O)n(CCN5CCOCC5)ccc4n3n2)cc1 13729944 BBUJVQXKRDQTSN-UHFFFAOYSA-N 406.446 1.447 0 50 HDAA CC(C)CN1C[C@H](OCc2ccccc2F)CN(C(=O)C2=NNC(=O)CC2)CC1=O 14542293 TUJSGDXBJYEIGS-INIZCTEOSA-N 418.469 1.304 0 50 HDAA Cc1nc(NCCNC(=O)c2ccc(Br)o2)cc(N2CCOCC2)n1 67621120 IZJADCOJPXKDNU-UHFFFAOYSA-N 410.272 1.819 0 50 HDAA CCc1nnc(CN(CC)C(=O)[C@@H]2[C@@H]3C=C[C@@]4(CN(CC(C)(C)C)C(=O)[C@@H]24)O3)o1 77457575 FEHASUDYWIEPAF-HKHONHPRSA-N 402.495 1.809 0 50 HDAA CCNC(=O)N1[C@H](CC(=O)Nc2ccc3c(c2)OCCO3)C(=O)N[C@H]2CCCC[C@H]21 238997206 AAUFRHWSDCBPLA-ARFHVFGLSA-N 416.478 1.628 0 50 HDAA O=C(OCCN1C(=O)c2ccccc2C1=O)[C@H]1CC=CC[C@H]1C(=O)N1CCOCC1 253417963 HYHXMSYHBNRYSJ-MSOLQXFVSA-N 412.442 1.267 0 50 HDAA O=c1cc(N2CCC(O)CC2)cnn1[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 328604908 LTGJQXTWUFUUEK-MRXNPFEDSA-N 418.519 1.230 0 50 HDAA C[C@H]1c2nncn2CCN1C(=O)c1cccc(C(=O)N2CCn3cnnc3[C@@H]2C)c1 1320699101 WKKSXPJKKUIIGM-KBPBESRZSA-N 406.450 1.304 0 50 HDAA Cc1nnnn1CCC(=O)N1CCC[C@]2(CCc3c(O)nc(-c4cccnc4)nc32)C1 1857672604 HOGSPQCFIMAAOU-NRFANRHFSA-N 420.477 1.436 0 50 HDAA O=C(NC[C@H]1CN(CC2CCN(CC3CC3)CC2)C(=O)CO1)c1ncc(F)cc1F 1857675473 AGNXDHQEXLIMDM-KRWDZBQOSA-N 422.476 1.439 0 50 HDAA CCN1CC[C@@H]2C[C@@H](N3CCOCC3)CC[C@@]2(C(=O)NCc2noc(C3CC3)n2)C1 1857681809 OJNBRNVIHTYNCP-KGVIQGDOSA-N 417.554 1.776 0 50 HDAA CCN1CC[C@@H]2C[C@@H](N3CCOCC3)CC[C@@]2(C(=O)NCc2cc(O)ncn2)C1 1857683109 CJJYHAYQVUXGGV-PLMTUMEDSA-N 403.527 1.011 0 50 HDAA C=CC(=O)N1CCC(C(=O)N(C)CC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)CC1 1875370224 GPRNVZUOJAKLHS-HNNXBMFYSA-N 412.490 1.633 0 50 HDAA CN(C)C(=O)CN1C(=O)[C@]2(CCN(C(=O)c3nn(C)cc3Cl)C2)c2ccccc21 2100480878 STRFNMQSJQPEHN-FQEVSTJZSA-N 415.881 1.292 0 50 HDAA NC(=O)[C@H]1Cc2ccccc2N(C/C=C/CN2C[C@@H](C(N)=O)Cc3ccccc32)C1 2325707591 BPEVUJHVXPWPKQ-KJBZUCPPSA-N 404.514 1.871 0 50 HDAA C[C@H](CCCCNC(=O)[C@@H]1CC(=O)NC(=O)N1)NC(=O)c1cc2sccc2s1 2325850787 HTRKZRSHWXPMNZ-MNOVXSKESA-N 422.532 1.966 0 50 HDAA COc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccc(OC)c3OC)CC2)cc1 893141 SNBCTUNECIZQSM-UHFFFAOYSA-N 420.487 1.859 0 50 HDAA CC(C)CCN1CCNC(=O)[C@@H]1CC(=O)N1CCN(Cc2cccc(F)c2)CC1 20453662 WMUWDLUJKJEZII-FQEVSTJZSA-N 404.530 1.707 0 50 HDAA CN1C[C@H](C(=O)N2CCc3c(c(C(=O)O)nn3CCCc3ccccc3)C2)CC1=O 67691243 CZKVQHRBJJLHTG-MRXNPFEDSA-N 410.474 1.577 0 50 HDAA Cc1cc(C(=O)N2CCC(N3CCC[C@H](C(=O)NCc4cccnc4)C3)CC2)[nH]n1 82097683 SHUSNUXRRDWGTA-SFHVURJKSA-N 410.522 1.746 0 50 HDAA COc1ccccc1N1C(=O)C[C@@H](N2CCN(Cc3ccc4c(c3)OCO4)CC2)C1=O 100041713 XVWOQMWELAODPL-GOSISDBHSA-N 423.469 1.874 0 50 HDAA CC(C)CC(=O)N[C@@H](C(=O)N1CCN([C@@H](C)C(=O)NC2CC2)CC1)c1ccccc1 110576975 RRSBJNQDPCMKIR-LAUBAEHRSA-N 414.550 1.701 0 50 HDAA CC(C)C[C@H](C(=O)N1CCN(c2ncccn2)CC1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O 239539276 AWBHAZKTIWDOMH-KZNAEPCWSA-N 411.506 1.491 0 50 HDAA COc1cc2ncn(CC(=O)NC[C@H]3CCCN4CCCC[C@@H]34)c(=O)c2cc1OC 252522938 BMCMFXYLUJCSQB-QAPCUYQASA-N 414.506 1.794 0 50 HDAA Cc1cc(C(=O)NC[C@@H]2CN(CC3CCN(CC4CC4)CC3)C(=O)CO2)ccc1O 299780664 AXXHNAIILKTHAT-HXUWFJFHSA-N 415.534 1.780 0 50 HDAA CN(C(=O)c1ccc(S(=O)(=O)N2C[C@@H]3C[C@H]4C[C@H]3[C@@H]2[C@H]4O)cc1)c1ccccn1 328599472 SGISGRRYVDJQST-ZLOLBAIHSA-N 413.499 1.748 0 50 HDAA COc1ccc2c(c1NC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCC(N)=O)CCC2 484822979 RXUDUGMGFAOXGG-SFHVURJKSA-N 424.501 1.908 0 50 HDAA O=C(Nc1cc2nc(O)[nH]c2cc1N1CCCC1)c1cn(C[C@H]2CCCNC2)nn1 952975225 MLFYWXZGIFLIMF-ZDUSSCGKSA-N 410.482 1.712 0 50 HDAA CN1CCN(c2cc(N3CCC4(CC3)OCCc3ccsc34)nc(N)n2)CC1 1704311875 VGPWOPMYQLAPFR-UHFFFAOYSA-N 400.552 1.941 0 50 HDAA CN1C(=O)[C@H](CC(=O)N2CCC3(CC2)OCCc2c3[nH]c3ccccc23)N(C)C1=O 1704339355 JGIQDQNSHZHAJD-KRWDZBQOSA-N 410.474 1.841 0 50 HDAA Nc1nc2c(s1)CN(C(=O)[C@@H]1CCc3sc(N4CCOCC4)nc3C1)CC2 1772819680 ZIJXSHYFXDUHOR-LLVKDONJSA-N 405.549 1.708 0 50 HDAA Cc1nsnc1C(=O)N1CC[C@]2(C(=O)NC3CCOCC3)CCCN(C)[C@H]2C1 1775980213 USJXLERZAOJQOV-HNAYVOBHSA-N 407.540 1.068 0 50 HDAA O=C1NCCN(Cc2ccccc2)[C@H]1CC(=O)N1CCc2[nH]nc(C3CC3)c2CC1 1857670738 YEDSQTBDJOJGGN-FQEVSTJZSA-N 407.518 1.605 0 50 HDAA CN(C)[C@H]1C[C@@H](CN2CCC(=O)N(C[C@H]3CN(C(=O)OC(C)(C)C)CCO3)C2=O)C1 1875387521 LTPQBWPQKWAPQP-IXDOHACOSA-N 424.542 1.617 0 50 HDAA C[C@@H](C(=O)NC1CC(NC(=O)[C@@H](C)N(C)CC(F)(F)F)C1)N(C)CC(F)(F)F 2325729115 JMJNOIWOXXBZKK-ZYANWLCNSA-N 420.398 1.515 0 50 HDAA Cn1c(=O)c2c(nc(NC[C@H]3CCCO3)n2Cc2ccccc2Cl)n(C)c1=O 4818331 JGKPAXFTAWKVKG-CYBMUJFWSA-N 403.870 1.726 0 50 HDAA CC1(C)Cc2c(sc3c2c(=O)n(CCO)c(=O)n3CC(=O)c2ccccc2)CO1 6662250 MHJWVBJKAMEHGS-UHFFFAOYSA-N 414.483 1.951 0 50 HDAA CCn1c(CC(=O)Nc2cccc(C)c2)nnc1SCC(=O)N1CCOCC1 9426785 KZIAUTHCINZONJ-UHFFFAOYSA-N 403.508 1.739 0 50 HDAA CC1=C(C(=O)N2CCC(N3CCC(C(=O)NC[C@H]4CCCO4)CC3)CC2)OCCO1 11878225 LSKOCTNJVRIYHH-LJQANCHMSA-N 421.538 1.263 0 50 HDAA COCCN(C(=O)C[C@@H]1C(=O)NCCN1Cc1cc(OC)cc(OC)c1)C(C)C 12073000 MDMTWBTYZRZCKQ-LJQANCHMSA-N 407.511 1.278 0 50 HDAA COC(=O)[C@@H]1CCCCN1C(=O)c1c(OC)cc(=O)n2c1CCN(CC1CC1)CC2 14881655 YJVVYMSBJHTYFY-KRWDZBQOSA-N 417.506 1.293 0 50 HDAA COc1cccc(C(=O)N2CCN(c3nc4nonc4nc3N3CCCC3)CC2)c1 15069112 FFMWXCJDTMOLJI-UHFFFAOYSA-N 409.450 1.584 0 50 HDAA COC(=O)CCCNC(=O)C[C@H]1C(=O)NCCN1Cc1ccccc1C(F)(F)F 15079605 UYWWWDYGFCKCMK-HNNXBMFYSA-N 415.412 1.465 0 50 HDAA O=C1C[C@@H](N2CCN(Cc3ccc4c(c3)OCO4)CC2)C(=O)N1CCc1ccccc1 96901566 KDEIYMARGMHAAI-HXUWFJFHSA-N 421.497 1.903 0 50 HDAA Cc1nc(-c2c3n(c(=O)n(CC(=O)Nc4ccc(Cl)cc4)c2=O)CCCC3)no1 169764818 KTEBZVNAJPFPHS-UHFFFAOYSA-N 415.837 1.997 0 50 HDAA CCOC(=O)C1=C(CN2CCC[C@@H](C(=O)Nc3ccccc3)C2)NC(=O)N[C@H]1C 252458632 YJDUPDVMYPCTMA-LSDHHAIUSA-N 400.479 1.856 0 50 HDAA C[C@]12CC[C@H]3[C@H](CC[C@]4(O)C[C@H](O)CC[C@]34C(=O)O)[C@@]1(O)CC[C@H]2C1=CC(=O)OC1 253498221 XJIILRFVONGQOG-CTRWLXTNSA-N 420.502 1.784 0 50 HDAA biogenic CCn1c(=O)c(=O)[nH]c2cc(C(=O)N3CCC(c4noc(C5CC5)n4)CC3)ccc21 463181224 ILRZEUAZZUTTCH-UHFFFAOYSA-N 409.446 1.990 0 50 HDAA CN(Cc1ccccc1CS(=O)(=O)c1ccccc1)[C@H]1CS(=O)(=O)C[C@@H]1O 1616157937 URPIJAZXUQDBOH-OALUTQOASA-N 409.529 1.250 0 50 HDAA COCc1nnc(N2C[C@H](C(=O)N(CCO)Cc3ccccc3F)CC2=O)s1 1857737957 LEMYUVJEMXNMHT-CYBMUJFWSA-N 408.455 1.198 0 50 HDAA CC1(C)CCCN(C(=O)[C@H]2C[C@H](n3cc(CN4CCOCC4)nn3)C2)[C@H]1C(=O)O 1875354431 VRNUVYQTZLBUGI-XIRDDKMYSA-N 405.499 1.163 0 50 HDAA O=C(CN1C(=O)c2ccccc2C1=O)O[C@H]1CSC[C@H]1NC(=O)c1ccccc1 1071199 CNEAINCFEWGLJK-SJORKVTESA-N 410.451 1.740 0 50 HDAA Cc1cc(N(CC(=O)NC[C@@H]2CCCO2)S(C)(=O)=O)ccc1Br 4811239 AYOZVYYCWMYJHI-ZDUSSCGKSA-N 405.314 1.819 0 50 HDAA COc1cccc(CN2CCNC(=O)[C@@H]2CC(=O)N(C)CCN2CCCCC2)c1 12703684 QDIKAJPVSCXZPR-FQEVSTJZSA-N 402.539 1.330 0 50 HDAA COCCCN1C(=O)C[C@@](CC(=O)N2CCC[C@H]2CO)(c2ccccc2Cl)C1=O 14889558 SKCIYXVUQJEJDC-BTYIYWSLSA-N 422.909 1.747 0 50 HDAA CCCS(=O)(=O)N1CCN(CCN2C(=O)c3cccc4cccc(c34)C2=O)CC1 20232091 YAEDBKZSUPGGTE-UHFFFAOYSA-N 415.515 1.793 0 50 HDAA Cc1ccccc1CN1CCNC(=O)[C@H]1CC(=O)NCCCCCN1CCOCC1 20455203 RPYIUDQNUBOVPI-OAQYLSRUSA-N 416.566 1.304 0 50 HDAA CN(CCc1cnn(C)c1)C(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(Cc4ccc(F)cc4)C(=O)[C@@H]13)O2 77406950 OCACXMJZMSKDIN-VAWZGJIGSA-N 424.476 1.542 0 50 HDAA CC(C)CC(=O)N[C@H](C(=O)N1CCN([C@H](C)C(=O)NC2CC2)CC1)c1ccccc1 110576977 RRSBJNQDPCMKIR-UTKZUKDTSA-N 414.550 1.701 0 50 HDAA COC(=O)C[C@@H](C)N1CCN(C(=O)[C@H](Cc2ccccc2)N2CCCOC2=O)CC1 225439575 QUVRZBWXEVAEGU-MJGOQNOKSA-N 417.506 1.536 0 50 HDAA COC(=O)c1c(OC[C@H]2CCCN(C)C2)cc(=O)n2c1CCN(CC1CC1)CC2 299755564 AEOWRDRDHGCEHN-KRWDZBQOSA-N 403.523 1.624 0 50 HDAA CC(C)(C)NC(=O)CN1CCC(N2C[C@@H](COc3ccc(F)cc3)OCC2=O)CC1 299781576 RJLGSCCYUABFMD-IBGZPJMESA-N 421.513 1.811 0 50 HDAA O=C(O)[C@H]1CCCN(S(=O)(=O)NCCCc2nc3ccc(Cl)cc3[nH]2)C1 670447264 XXQYQMPHQUJMCY-NSHDSACASA-N 400.888 1.780 0 50 HDAA Cc1cccc(NC[C@@H]2CCCN2C(=O)c2cc(S(=O)(=O)N(C)C)cn2C)n1 1341947091 WAOVTCYZYQRJLT-HNNXBMFYSA-N 405.524 1.696 0 50 HDAA Cc1sc(-c2cc(C(F)(F)F)n[nH]2)cc1S(=O)(=O)N1CCNC(=O)CC1 1506399904 KMZMIXJASWCYAN-UHFFFAOYSA-N 408.427 1.976 0 50 HDAA CC(C)(C)c1oc(C(N)=O)cc1CN1CC[C@H](NC(=O)c2ccccn2)[C@@H](O)C1 1565527523 QUXHULIIIHQEHQ-HOCLYGCPSA-N 400.479 1.436 0 50 HDAA C[C@H](C(=O)N1C[C@H]2CCC[C@]2(c2nc(Cc3ccccc3)no2)C1)S(C)(=O)=O 1857532401 GUJSUADBNJWKMV-KKVAFCGZSA-N 403.504 1.974 0 50 HDAA CC(C)c1cc(C(=O)N2CCC[C@@]3(CCc4c(O)nc(N(C)C)nc43)C2)nc(=N)[nH]1 1857698807 JCGPCFGAWHDERY-OAQYLSRUSA-N 411.510 1.694 0 50 HDAA COc1ccccc1C(=O)N1CCN(S(=O)(=O)c2ccc(NC(C)=O)cc2)CC1 900061 KMKLDTJLJZMTIX-UHFFFAOYSA-N 417.487 1.800 0 50 HDAA Cc1ccc(S(=O)(=O)N(C)CC(=O)NCc2nc(-c3ccccc3)no2)cc1 2879073 JEOINIWMXYVOOO-UHFFFAOYSA-N 400.460 1.982 0 50 HDAA COCCNC(=O)c1cn([C@H]2CCCN(C(=O)COc3ccccc3Cl)C2)nn1 12191551 NREMCJMPFYTEHD-AWEZNQCLSA-N 421.885 1.550 0 50 HDAA COc1cc(CN2CCNC(=O)[C@@H]2CC(=O)NCCCOC(C)C)cc(OC)c1 12432165 RVQVJHAJXSVOKH-IBGZPJMESA-N 407.511 1.326 0 50 HDAA O=C1[C@H]2C3C=CC([C@H]2C(=O)N1c1cccnc1)[C@H]1C(=O)N(c2cccnc2)C(=O)[C@@H]31 13205878 NYRYURCICOJXHW-ZBONBFHTSA-N 400.394 1.204 0 50 HDAA CCN1CCN(C(=O)[C@@H]2[C@@H]3C=C[C@@]4(CN(Cc5ccc(C)c(C)c5)C(=O)[C@@H]24)O3)CC1=O 77455347 WMFUTXKXYRAKIS-WTMJVXIESA-N 423.513 1.276 0 50 HDAA Cc1ccc(N2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N(C)Cc3nccn3C)[C@H]4C2=O)cc1C 77488789 DCPFKDNOVMLHOI-USKVXJDGSA-N 406.486 1.982 0 50 HDAA COC(=O)C1(C(=O)N[C@H]2CCN([C@@H](C(=O)OC(C)(C)C)c3ccccc3)C2=O)CC1 170608635 UWRBRTVSJFHSQB-JKSUJKDBSA-N 416.474 1.740 0 50 HDAA O=C(Cn1c(=O)cnc2ccccc21)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO 229985588 ZGLWIVNOBGHCMG-RTBURBONSA-N 406.486 1.396 0 50 HDAA C[C@H](NC(=O)CN1CCN(S(C)(=O)=O)CC1)c1nc2ccccc2n1C(F)F 469275814 FBNCMWHMXUYLJC-LBPRGKRZSA-N 415.466 1.186 0 50 HDAA CN(CC(=O)Nc1ccc(N2CCCC2)c2ncccc12)[C@@H]1CCS(=O)(=O)C1 952970283 KHIUPTHXILXFQG-OAHLLOKOSA-N 402.520 1.892 0 50 HDAA O=C1NCC2CCN(CC2)C(=O)CCc2cn(nn2)CCOc2ccc(F)cc21 1704318032 MTQODUNTKDFNSS-UHFFFAOYSA-N 401.442 1.411 0 50 HDAA Oc1nc(N2CCOCC2)nc2c1CCC21CCN(c2ncnc3[nH]ccc23)CC1 1857716080 VPSKRPHLWYYAHK-UHFFFAOYSA-N 407.478 1.775 0 50 HDAA CC(=O)Nc1nc(C(=O)N[C@H]2CN(C(=O)c3nc(O)c(C)s3)CC2(C)C)cs1 1875336555 BOFRCCAQKAZDMC-NSHDSACASA-N 423.520 1.853 0 50 HDAA Cc1nc(S(=O)(=O)N2CCN(C(=O)c3ccc(F)cc3)CC2)c2n1CCCC2 2325819389 CVUQUEPSXGFLQO-UHFFFAOYSA-N 406.483 1.814 0 50 HDAA O=C1CC[C@@H](N2Cc3c(C(=O)Nc4cccc5c4CCNC5)cccc3C2=O)C(=O)N1 2325896071 QGSFNOJYEMQCGB-LJQANCHMSA-N 418.453 1.346 0 50 HDAA COC(=O)c1ccc(Oc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1 679091 SVMHOKDNKYTDRZ-UHFFFAOYSA-N 401.423 1.124 0 50 HDAA NC(=O)C[C@H]1C(=O)N(c2ccc(F)cc2)C(=S)N1NC(=O)CCc1ccccc1 1069524 OMORHBPINDSYFJ-INIZCTEOSA-N 414.462 1.667 0 50 HDAA CCOC(=O)CSc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1F 1444396 MPIZQZMYDSMDTG-UHFFFAOYSA-N 406.439 1.276 0 50 HDAA CC(C)CN1C[C@H](OCc2cccnc2)CN(C(=O)CCc2cnccn2)CC1=O 14539665 VEIVWBXUQJRYPG-FQEVSTJZSA-N 411.506 1.716 0 50 HDAA O=C(Nc1ccc(Cl)cc1Cl)N1CCN2C(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@H]2C1 14740371 ZIBIFEWMAIBXGE-DDTOSNHZSA-N 413.261 1.014 0 50 HDAA Cc1nonc1C(=O)N1CCC(Oc2cccc(C(=O)N(C)CCN(C)C)c2)CC1 15078903 WYLCTHSLUUDGBD-UHFFFAOYSA-N 415.494 1.695 0 50 HDAA COc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3ccc(C)cc3)CC2)cc1 35889308 IGEBZHWAICMJHN-UHFFFAOYSA-N 403.504 1.949 0 50 HDAA COc1ccc(S(=O)(=O)N2CCN(c3cc(-n4ccnc4C)ncn3)CC2)cc1 67602205 KJQJFHGNUOHQFJ-UHFFFAOYSA-N 414.491 1.490 0 50 HDAA CCc1cc(N2CCC(N3CCC[C@H](C(=O)N4CCOCC4)C3)CC2)nc(C)n1 71759474 ZHUDPIOHDJOZHJ-SFHVURJKSA-N 401.555 1.887 0 50 HDAA CN(C)S(=O)(=O)N1CCC[C@@H](C(=O)NCCCN2CCCc3ccccc32)C1 72436856 UNRFKBVVKRIUTQ-GOSISDBHSA-N 408.568 1.464 0 50 HDAA Cc1nc(N2CCN(C(=O)Cn3cnc4ccccc43)CC2)cc(-n2cccn2)n1 82230604 VQYLKYUEAAJCDF-UHFFFAOYSA-N 402.462 1.669 0 50 HDAA COCC(=O)N1CCC(Oc2ccc(C(=O)N[C@@H](C)c3nc(C)no3)cc2)CC1 95502023 OTLOHMUJIGFSEC-ZDUSSCGKSA-N 402.451 1.885 0 50 HDAA NC(=O)C1(N2CCCCC2)CCN([C@H]2CC(=O)N(c3ccc(F)cc3)C2=O)CC1 100088886 UCQRUUKDYOFXLL-KRWDZBQOSA-N 402.470 1.263 0 50 HDAA COc1ccc(CCN2C(=O)[C@@H](CC(=O)NCc3ccncc3)N=C2O)cc1OC 252549998 RYVRRRPOGCTEBZ-MRXNPFEDSA-N 412.446 1.473 0 50 HDAA COC(=O)c1cn(Cc2nc(COc3ccc(OC)cc3)no2)cc2c(=O)[nH]nc1-2 263588899 ZPCNUFQAZBAFEW-UHFFFAOYSA-N 411.374 1.482 0 50 HDAA COc1ccc(C(=O)NC[C@@H]2CN(CC3CCN(CC4CC4)CC3)C(=O)CO2)cc1 299792900 HEGKXQRGNOBYFO-OAQYLSRUSA-N 415.534 1.774 0 50 HDAA CC[C@@H]1CN(c2ncnc3c2ncn3C[C@H](O)[C@H]2CCCO2)C[C@]2(CCOC2)O1 888097839 QKVUQFDHARKMSD-ASKKUZCQSA-N 403.483 1.141 0 50 HDAA NS(=O)(=O)CCCC(=O)N1CCC[C@H](CNC(=O)c2cc(F)ccc2F)C1 952979091 GYYFHLQGOVWIFV-GFCCVEGCSA-N 403.451 1.002 0 50 HDAA O=C(Nn1ccc(O)nc1=O)c1ccccc1NS(=O)(=O)c1ccc(F)cc1 1470661228 XULOVWLUIXPEOL-UHFFFAOYSA-N 404.379 1.273 0 50 HDAA Cc1cc(S(=O)(=O)NC[C@@H]2CCC[C@H](NC(=O)c3ncccc3O)C2)n(C)n1 1857670573 VQGZESXDXVSXQP-KGLIPLIRSA-N 407.496 1.096 0 50 HDAA CN(C)C(=O)CN1CCC2(CCc3c2nc(-c2ccccc2)[nH]c3=NCCCO)CC1 1857687042 IVMIZTGLXYDRQR-UHFFFAOYSA-N 423.561 1.728 0 50 HDAA COCc1nnc(N2C[C@@H](C(=O)N3CCN(c4ccccc4)CC3)CC2=O)s1 1857707823 LHCCQZDUSYBTQH-AWEZNQCLSA-N 401.492 1.386 0 50 HDAA CC[C@H]1[C@@H](C(=O)OC)C[C@H]2CN(CC3=Cc4cccc(OC)c4OC3)CC(=O)N21 1857713184 KFMUUQJXFQWWPX-BZSNNMDCSA-N 400.475 1.955 0 50 HDAA CN1C(=O)COc2ccc(C(=O)N3CCN4[C@@H](c5ccccc5)COC[C@H]4C3)cc21 1857720355 QFRZTZYVYMRDHS-UYAOXDASSA-N 407.470 1.940 0 50 HDAA CC(C)c1ccc([C@H](C)NC(=O)CN(C)CC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 1875253132 RLHNARMYFCHBKN-MAUKXSAKSA-N 409.552 1.222 0 50 HDAA Cc1cnc(F)c(C(=O)N2CC[C@@H]([C@@H]3CCCN3C(=O)c3cc(C(N)=O)[nH]n3)C2)c1 1875389136 DFBKFTFDBJLJAB-WBMJQRKESA-N 414.441 1.118 0 50 HDAA Cn1cc(-c2cc(C(=O)N[C@@H]3CCCC[C@@H]3NC(=O)[C@H]3C[C@@](C)(O)C3)n[nH]2)cn1 2325872006 DLGFWMNBIRTXKL-XSRSJLKASA-N 400.483 1.128 0 50 HDAA O=C1CC[C@H](N2Cc3cc(C(=O)Nc4cccc5c4CCNC5)ccc3C2=O)C(=O)N1 2325896072 QHHNZVGILJAQEX-IBGZPJMESA-N 418.453 1.346 0 50 HDAA S=C(S[C@@H]1OCCO[C@H]1SC(=S)N1CCOCC1)N1CCOCC1 2880353 YPTGGDDCEIJRSA-RYUDHWBXSA-N 410.608 1.386 0 50 HDAA COc1cccc(N2CCN(C(=O)CCCn3c(=O)[nH]c4ccccc4c3=O)CC2)c1 4591433 IIJWIHBUNMPBPK-UHFFFAOYSA-N 422.485 1.827 0 50 HDAA CCCS(=O)(=O)c1ncc(CN(C)Cc2cn(C)nc2C)n1C[C@H]1CCCO1 12207416 SLGNVKQRMLOQFF-GOSISDBHSA-N 409.556 1.920 0 50 HDAA CC[C@H](C)[C@@H]1NC(=O)[C@@H]2C[C@H](NC(=O)c3ccc(Br)cc3)CN2C1=O 14532094 NZDQSNLRBNWZIC-HJPIBITLSA-N 408.296 1.693 0 50 HDAA COc1ccc(CNCC2CCOCC2)cc1OC[C@@H](O)CN1CCCN(C)CC1 19229170 YVDGGFQJUGXPPO-NRFANRHFSA-N 421.582 1.589 0 50 HDAA O=C1[C@H]2[C@@H](C(=O)N3CCc4n[nH]cc4C3)[C@@H]3C=C[C@@]2(CN1Cc1ccc(F)cc1)O3 77385800 HXOFFQNZHKALOC-VWNVYAMZSA-N 408.433 1.416 0 50 HDAA Cc1ccc(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N(C)Cc3ncc[nH]3)[C@H]4C2=O)cc1C 77437936 MXWMADXCINAQIF-USKVXJDGSA-N 406.486 1.967 0 50 HDAA OCCOCCOCCOCCOCCOCCOCCOCc1ccccc1 90411670 ZCSFSTZVHMIOOJ-UHFFFAOYSA-N 416.511 1.295 0 50 HDAA COCCOCCCNS(=O)(=O)c1ccccc1S(=O)(=O)C(F)(F)F 225549902 BDTADMSKEGKYGC-UHFFFAOYSA-N 405.416 1.312 0 50 HDAA COc1cccc(Cc2cc(C(=O)N3CCC[C@@H](C(=O)N4CCOCC4)C3)on2)c1 299758763 PBIPSVSPAPKNJW-QGZVFWFLSA-N 413.474 1.985 0 50 HDAA CN1Cc2cc(NS(=O)(=O)c3ccc(C(=O)NCC(=O)O)cc3)ccc2NC1=O 479549745 ADXKCBWQPYGDNQ-UHFFFAOYSA-N 418.431 1.279 0 50 HDAA O=C(CCc1n[nH]c2c1CCCC2)N[C@H]1C2CN3CCN(C2)CC1(c1ccccc1)C3 828005883 RLFUAXQLEZVZFR-YOYMELPUSA-N 419.573 1.905 0 50 HDAA Cc1nnc(CN2CCC3(CC2)OCC[C@@](C)(NC(=O)c2cccc(O)c2)[C@@H]3O)o1 1772712421 RTOXSCHPKNYQQD-VQTJNVASSA-N 416.478 1.388 0 50 HDAA CCc1ccc(CN2C[C@@H]3CN(C(=O)Cc4c(O)n[nH]c4C)C[C@]3(CO)C2)s1 1772811950 CCOWSJPRFAEQQP-VLIAUNLRSA-N 404.536 1.543 0 50 HDAA O=C([C@H]1CCOC1)N1CCO[C@@]2(C[C@@H]3CC[C@H](C2)N3C(=O)c2cncc(F)c2)C1 1857681683 JAAXBKRMSRUAPN-MUMXORNYSA-N 403.454 1.622 0 50 HDAA Cc1nc(N2CCN(C)CC2)ncc1C(=O)N1CCO[C@@H](CO)[C@@H]1c1ccccc1 2100537586 QVGXJVNYFPWKQI-PMACEKPBSA-N 411.506 1.111 0 50 HDAA CC1(F)CC(COC(=O)NCc2ccc3c(c2)C(=O)N([C@H]2CCC(=O)NC2=O)C3)C1 2325886732 GVQUCITXAWVIIB-ZRKSEFCZSA-N 417.437 1.812 0 50 HDAA O=C1CC[C@H](N2Cc3cc(NC(=O)NC45CC(C(F)F)(C4)C5)ccc3C2=O)C(=O)N1 2325901441 GGFPSLCBHNMEGF-LJLKPOLSSA-N 418.400 1.757 0 50 HDAA CCOC(=O)N1CCN(S(=O)(=O)c2ccc(OCC(=O)OC)c(Cl)c2)CC1 810068 DPCYMAKHZJTXGJ-UHFFFAOYSA-N 420.871 1.355 0 50 HDAA CN1CCNC(=O)[C@H]1CC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 14954027 MAVNTVUVMZJKIZ-OAQYLSRUSA-N 406.530 1.741 0 50 HDAA COc1ccccc1N1CCN(c2ncccc2CNC(=O)[C@@H]2COC(=O)N2)CC1 67850625 UFUGRJJLIMZZDC-INIZCTEOSA-N 411.462 1.141 0 50 HDAA CC(C)OCC(=O)N1CCc2ccc(S(=O)(=O)N3CC[C@@H](N(C)C)C3)cc2C1 77504974 WUMPPOOXOSVTTO-GOSISDBHSA-N 409.552 1.321 0 50 HDAA CC(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CN(Cc3ccccc3)CC[C@H]2CO)cc1 241961302 URFRLAIKXQKQPL-GHTZIAJQSA-N 417.531 1.806 0 50 HDAA Cc1nc2ncnn2c(C)c1CCC(=O)N1CCc2nc[nH]c2[C@H]1c1cccnc1 952983896 YHGYEZHAHQXFGH-HXUWFJFHSA-N 402.462 1.966 0 50 HDAA COC1CCN(C(=O)[C@]23CCCCN2C[C@@H](NC(=O)c2cccc(O)n2)C3)CC1 1857681195 BVKMCNNEFFAQRQ-YCRPNKLZSA-N 402.495 1.151 0 50 HDAA COc1ccc(CC(=O)N2C[C@@H]3CC[C@H](C2)[C@@H]3NC(=O)[C@@H]2CCCO2)c(OC)c1 1857690317 GPYNFBKXCRERHV-ONFYXGJMSA-N 402.491 1.779 0 50 HDAA O=C1CC[C@@H](c2ccccc2)CCNC(=O)CN(C(=O)C2CCNCC2)CCCN1 1875240159 KEYDOFRKMQUCNX-LJQANCHMSA-N 414.550 1.405 0 50 HDAA O=C(c1ccc2c(=O)ccoc2c1)N1CCN(c2nnnn2-c2ccccc2)CC1 2325749005 REEXQRIUUWJECZ-UHFFFAOYSA-N 402.414 1.731 0 50 HDAA Cc1cc(C)n(CCNC(=O)c2cc3c(s2)CCOC32CCNCC2)c(=O)n1 2356163316 XYVJYNLEKYYCHK-UHFFFAOYSA-N 402.520 1.503 0 50 HDAA CCOC(=O)N1CCN([C@@H]2CCCN(C(=O)Cc3ccc4c(c3)OCO4)C2)CC1 20204449 MGTYWOHFARJAOM-QGZVFWFLSA-N 403.479 1.723 0 50 HDAA CN(C)S(=O)(=O)N1CCC(CCC(=O)N[C@H]2CCN(Cc3ccccc3)C2)CC1 77387043 LNGUIYSGUZDROR-FQEVSTJZSA-N 422.595 1.676 0 50 HDAA CNC(=O)C1CN(CC(=O)Nc2ccccc2C(=O)Nc2ccc3c(c2)OCO3)C1 170598187 IITSSDWUPZPALP-UHFFFAOYSA-N 410.430 1.284 0 50 HDAA CCCCNc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@H](O)COc1ccccc1Cl 170624364 LPEKCXIYPOLGBQ-LBPRGKRZSA-N 421.885 1.729 0 50 HDAA CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1cc(-c2cc(OC)ccc2OC)on1 225616085 JBXUMNSWKDGOMF-VXGBXAGGSA-N 419.434 1.545 0 50 HDAA COC(=O)c1cc(S(=O)(=O)N2CCOC[C@H]2[C@H]2CCCC2=O)cc(F)c1F 252513388 ZLPOLWUYTOINJL-RISCZKNCSA-N 403.403 1.510 0 50 HDAA O=C(N[C@@H]1CC(=O)N([C@@H]2C[C@H]2c2ccccc2)C1)c1ccc(-c2nc(=O)o[nH]2)cc1 440403523 SOGZBIVAPWJWSK-FGTMMUONSA-N 404.426 1.917 0 50 HDAA Cc1cc(O)nc2ccc(S(=O)(=O)N3CCN(CC(C)C)[C@H](CCO)C3)cc12 952965906 BBMPYJMBTAXEHM-MRXNPFEDSA-N 407.536 1.962 0 50 HDAA CCc1nccn1C[C@@H](C)N1CCc2nc(N(C)C)nc(N3CCC(O)CC3)c2C1 1506403518 CBHQVMLOMJLEAS-MRXNPFEDSA-N 413.570 1.709 0 50 HDAA OC[C@]12CN(Cc3cnc(N4CCCCC4)nc3)C[C@@H]1CN(Cc1ccns1)C2 1772701062 HDFABYDJJBMORF-WIYYLYMNSA-N 414.579 1.850 0 50 HDAA CCN1CC[C@@H]2C[C@@H](N3CCOCC3)CC[C@@]2(C(=O)NCCOc2nonc2C)C1 1857682282 IHNBEENJWDGMMB-LVCYWYKZSA-N 421.542 1.086 0 50 HDAA CC(C)S(=O)(=O)Nc1cccc(C(=O)N2CCC[C@@H]2Cn2cc(C(=O)O)nn2)c1 1875342748 FUGXBHXNJRJQDF-OAHLLOKOSA-N 421.479 1.431 0 50 HDAA O=C(O)CN1C[C@@H]2COC[C@H](C1)N(C(=O)Nc1ccc(OC(F)(F)F)cc1)C2 1940196379 HBNXUPFWFBVXSN-AAEUAGOBSA-N 403.357 1.834 0 50 HDAA CCn1c(Cc2cc(C)[nH]n2)nnc1N1CCN(c2nnnn2-c2ccccc2)CC1 2325841564 ZZKYQCRWJOOLCA-UHFFFAOYSA-N 419.497 1.223 0 50 HDAA CS(=O)(=O)N1CCN(c2ccccc2NC(=S)NC(=O)c2ccco2)CC1 1065397 UTIZMPNZEIMXMU-UHFFFAOYSA-N 408.505 1.488 0 50 HDAA NS(=O)(=O)c1ccc(CNC(=O)Cn2nc(C(F)(F)F)cc2C2CC2)cc1 2765117 WAVAZAUHQWKYGY-UHFFFAOYSA-N 402.398 1.743 0 50 HDAA CCn1ncc(NC(=O)c2c(Br)c(C(F)(F)F)nn2C)c1C(N)=O 2782580 GROGUVFOVHCROY-UHFFFAOYSA-N 409.166 1.769 0 50 HDAA COCCNC(=O)c1cn(C2CCN(C(=O)c3cc(OC)ccc3OC)CC2)nn1 12157353 BALROMIRIZSYSF-UHFFFAOYSA-N 417.466 1.149 0 50 HDAA Cc1nccn1CC[C@@H]1CCCCN1C(=O)c1cn(CCN2CCOCC2)nn1 12429787 XNWLVEZYXUJDOW-SFHVURJKSA-N 401.515 1.200 0 50 HDAA CCOC(=O)N1CCC(N2CCC3(CC2)C(=O)N(CCN(C)C)C(=O)N3CC)CC1 14541619 OYXNXDMODARDLH-UHFFFAOYSA-N 423.558 1.288 0 50 HDAA COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NC(C2CC2)C2CC2)cc1OC 14974142 NJQJWLPZGCGRIM-QGZVFWFLSA-N 401.507 1.699 0 50 HDAA COc1ccccc1NC(=O)N1CCN(c2cc(N3CCOCC3)nc(C)n2)CC1 21795274 AZYOODUFQBVHHH-UHFFFAOYSA-N 412.494 1.984 0 50 HDAA NC(=O)CCNC(=O)c1cn2cc(-c3cccc(Cl)c3)n(CC3CC3)c(=O)c2n1 72412142 NDXCCHZASHXFPJ-UHFFFAOYSA-N 413.865 1.832 0 50 HDAA COc1cccc(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N3CCCN(C)CC3)[C@H]4C2=O)c1 77542140 XAZNPQAJTJXJBZ-MXBUBSDBSA-N 411.502 1.141 0 50 HDAA CCCOc1ccc(N2C(=O)C[C@@H](NCCCN3CCN(CC)CC3)C2=O)cc1 95483231 BFXDZCXFQCKRLC-HXUWFJFHSA-N 402.539 1.725 0 50 HDAA Cc1nc(CC(=O)NC[C@H]2CN(C3CCN(C4CCC4)CC3)C(=O)CO2)cs1 299756323 GNZLPKVILDKLQB-SFHVURJKSA-N 406.552 1.355 0 50 HDAA CC(C)c1nnc([C@@H]2CN(C(=O)c3ccc(N4CCCS4(=O)=O)cc3)CCO2)o1 433107152 XRWNRQPHDFSRJD-INIZCTEOSA-N 420.491 1.947 0 50 HDAA C[C@@]1(C2CCN(C(=O)[C@H]3CC(c4cc(F)ccc4F)=NO3)CC2)NC(=O)NC1=O 746013394 XYPNJFDXRFISBQ-BEFAXECRSA-N 406.389 1.295 0 50 HDAA O=C(C[C@H]1NC(=O)c2ccccc2NC1=O)NCCn1ccnc1-c1ccccc1 888090455 AJQFRSRCWWNELI-GOSISDBHSA-N 403.442 1.807 0 50 HDAA CS(=O)(=O)NC[C@H]1CCCN([C@H]2CC(=O)N(c3ccc4ccccc4c3)C2=O)C1 917638502 PNYWVAKLKYSHSJ-BEFAXECRSA-N 415.515 1.733 0 50 HDAA CS(=O)(=O)N(CC(=O)N[C@H]1COC[C@H]1Cc1ccncc1)c1cccc(F)c1 1704280562 CPICEYZGLCPKSH-QAPCUYQASA-N 407.467 1.361 0 50 HDAA CSCCC(=O)N1CCC2(CC1)OCC[C@@](C)(NC(=O)c1cnn(C)c1C)[C@@H]2O 1704309032 WGBIZCZDKUARTL-RBUKOAKNSA-N 424.567 1.113 0 50 HDAA O=C(N[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)c1csc2ccccc12)c1ccccn1 1772808821 CATKDXLVZDJENZ-HZPDHXFCSA-N 415.496 1.622 0 50 HDAA CN(C)S(=O)(=O)N[C@@H]1[C@H]2CC[C@@H]1CN(Cc1nn(C)c3cccc(Cl)c13)C2 1857702640 FKXHIAQTJDQVKT-MCBXIFIFSA-N 411.959 1.833 0 50 HDAA CCOC(=O)CC1CCN(c2ncnc3c2ncn3C[C@@H](CO)[C@H]2CCOC2)CC1 1875269158 JVKMWSRHVHEGIB-IRXDYDNUSA-N 417.510 1.641 0 50 HDAA CCO[C@@H]1C[C@H]2CN(C(=O)[C@@H](C)n3cnc4c(N)ncnc43)Cc3cccnc3N2C1 2325757667 GNVZKMRIWLZMSX-VNQPRFMTSA-N 422.493 1.391 0 50 HDAA CC(=O)N1CCC[C@@H]1C(=O)N1CCCCC[C@H](NC(=O)c2cccc(C(N)=O)c2)C1 2325864017 DLUCZMDJDWVJRN-RBUKOAKNSA-N 414.506 1.297 0 50 HDAA O=C1CC[C@@H](N2Cc3cc(NS(=O)(=O)c4cccs4)ccc3C2=O)C(=O)N1 2325897053 NHZWPSDIUYNVDR-CYBMUJFWSA-N 405.457 1.310 0 50 HDAA O=C1CC[C@H](N2Cc3cc(NS(=O)(=O)c4cccs4)ccc3C2=O)C(=O)N1 2325897054 NHZWPSDIUYNVDR-ZDUSSCGKSA-N 405.457 1.310 0 50 HDAA COc1cc(OC)cc(C(=O)NC(=S)N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)c1 1069784 UBZYZLLHTDJVEC-HIFRSBDPSA-N 413.499 2.000 0 50 HDAA biogenic CC(C)C(=O)N[C@@H](NC(=S)N[C@@H]1CCS(=O)(=O)C1)C(Cl)(Cl)Cl 8828587 IBYYVEJYNOPOAS-APPZFPTMSA-N 410.776 1.106 0 50 HDAA COCCNC(=O)[C@@H]1CCCN(c2cccc3c2C(=O)N(C[C@@H]2CCCO2)C3=O)C1 14973221 RGEOHTLLHVSPOY-CVEARBPZSA-N 415.490 1.441 0 50 HDAA Cc1ccc(S(=O)(=O)NCCCNC(=O)[C@@H]2CN(C)c3ccccc3O2)cc1 670445418 HPIZLWDZLDNUJP-IBGZPJMESA-N 403.504 1.677 0 50 HDAA O=C(c1cnc(-c2ccccn2)nc1)N1CC[C@@H](O)[C@@](CO)(Cc2ccccc2)C1 1857718380 HBMIJTNNDXZEBU-OFNKIYASSA-N 404.470 1.967 0 50 HDAA CCOc1ccc2nc(N3C[C@@H](C(=O)N4CCS(=O)(=O)CC4)CC3=O)sc2c1 1857734444 JQBMETASOYRQKB-LBPRGKRZSA-N 423.516 1.305 0 50 HDAA CCCO[C@@H]1C[C@@H](C(=O)NCc2cc[nH]n2)CC[C@H]1NC(=O)CCn1cccn1 1875247026 JBJANBFZZSLLHB-CGTJXYLNSA-N 402.499 1.393 0 50 HDAA CCn1cc(CNC(=O)[C@H]2C[C@H]3CN(C(C)=O)CC(=O)N3[C@H]2c2ccccc2)cn1 1875251143 NRZROXHSXRCUHC-ZJOUEHCJSA-N 409.490 1.340 0 50 HDAA O=C(O)c1cncc(-n2cc(C3(O)CCN(C(=O)c4cncc(F)c4)CC3)nn2)c1 1875325085 QQNSSNILTNOLDP-UHFFFAOYSA-N 412.381 1.018 0 50 HDAA COc1ccc(F)cc1C(=O)NC1([C@@H]2CCN(C(=O)C[C@H]3CCNC3=O)C2)CC1 1875335002 OJQAIYZNKLDFHG-ZIAGYGMSSA-N 403.454 1.471 0 50 HDAA Cc1ccc(CN=c2ncnc(N3C[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]4C3)[nH]2)nc1 1875353318 OPGVJONZLUPGLT-IYBDPMFKSA-N 411.510 1.912 0 50 HDAA O=C(c1ccc(O)cc1)N1CCC2(CCc3c(O)nc(N4CCOCC4)nc32)CC1 1940197214 ZOFULTCAUCQXKS-UHFFFAOYSA-N 410.474 1.845 0 50 HDAA Cn1ncc(I)c1C(=O)N1CCN(C(=O)c2ccco2)CC1 1002592 NAMLAEQTPVXKQF-UHFFFAOYSA-N 414.203 1.216 0 50 HDAA O=C(O)[C@@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc2c(c1)OCCO2 2646187 MGGULMIQVXJROP-MRXNPFEDSA-N 402.428 1.913 0 50 HDAA COc1cccc(C(=O)N[C@@H](NC(=S)Nn2cnnc2)C(Cl)(Cl)Cl)c1 3066376 COJDSFWVWZSCPE-NSHDSACASA-N 423.713 1.831 0 50 HDAA CC(=O)OC[C@]12C[C@H](OC(=O)CC(C)C)C(C)=C[C@H]1O[C@@H]1[C@H](O)[C@@H](O)[C@@]2(C)[C@@]12CO2 4081735 PNKLMTPXERFKEN-ZIOSACBISA-N 424.490 1.122 0 50 HDAA in-vitro CCS(=O)(=O)c1ncc(CN2CCC(Oc3cccnc3)CC2)n1CCOC 11936292 MJDCAFHLWDJLHL-UHFFFAOYSA-N 408.524 1.762 0 50 HDAA COc1ccc(OC[C@@H](O)CN2CCC(O)CC2)c(CN2CCC(OC)CC2)c1 12744451 STVBHQAFUHKBDE-IBGZPJMESA-N 408.539 1.502 0 50 HDAA CN(Cc1cccc(C(F)(F)F)c1)C(=O)CCn1nnnc1CN1CCOCC1 23158312 QWHNBAOKUXUTHX-UHFFFAOYSA-N 412.416 1.573 0 50 HDAA CCN1CCN(S(=O)(=O)c2ccc(OC)c(I)c2)CC1 36007057 SMZWQHCVTYMNPL-UHFFFAOYSA-N 410.277 1.626 0 50 HDAA COc1ccccc1[C@H]1CN(CCNC(=O)[C@H]2CNC(=O)C2)Cc2ccccc2O1 39353686 VKNSTGKQDMVXQM-DYESRHJHSA-N 409.486 1.883 0 50 HDAA CN(C)[C@@H]1CCN(S(=O)(=O)c2ccc3c(c2)CN(C(=O)c2ccccn2)CC3)C1 77298440 LBZVNAWKSSEUHN-GOSISDBHSA-N 414.531 1.605 0 50 HDAA Cc1cc(F)ccc1N1C[C@]23C=C[C@H](O2)[C@H](C(=O)N2CCN(C(C)C)CC2)[C@H]3C1=O 77343923 LSWXUZOQJOSWKP-MXBUBSDBSA-N 413.493 1.973 0 50 HDAA CN(CCn1cccn1)C(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(Cc4ccc(F)cc4)C(=O)[C@@H]13)O2 77438945 JKUHESCQGSFEPY-VWNVYAMZSA-N 410.449 1.463 0 50 HDAA Cc1cn2cc(CNC(=O)c3ccc(CN4CCCC[C@@H]4CN)[nH]c3=O)nc2s1 77505359 SZQNAVJFNVCJDW-MRXNPFEDSA-N 414.535 1.636 0 50 HDAA CC[C@@H](C)NC(=O)c1ccc(CN2C(=O)NC3(CCS(=O)(=O)CC3)C2=O)cc1 169772495 BHQXZFRLYSEDFJ-CYBMUJFWSA-N 407.492 1.214 0 50 HDAA O=C(COc1ccc(I)cc1)N[C@H](CO)Cc1cccnc1 170610143 VPILKYQUSUVQLM-AWEZNQCLSA-N 412.227 1.785 0 50 HDAA CC[C@H](C)N(C)C(=O)C1CC2(C1)C[C@@H](NC(=O)c1cc(C)on1)CCS2(=O)=O 952876328 MOMZPVOUOJZAOK-TXZORMDMSA-N 411.524 1.696 0 50 HDAA COc1ccc([C@@H]2[C@@H](CO)OCCN2C(=O)c2c(C)nc3ncccn23)cc1OC 1529158752 KOOZQSISYYDYHJ-IEBWSBKVSA-N 412.446 1.630 0 50 HDAA Cc1ccc(S(=O)(=O)NCCCNc2cc(C(=O)N3CCOCC3)ccn2)cc1 1529196312 XZALIEDFHGYFAK-UHFFFAOYSA-N 418.519 1.643 0 50 HDAA CCOCC(=O)N[C@@]1(C)CC2(CCN(Cc3nnc(C(C)C)o3)CC2)OC[C@@H]1O 1772710849 SYPUVRMMFNGLTJ-KXBFYZLASA-N 410.515 1.220 0 50 HDAA O=C1CO[C@@]2(CCN(C(=O)C3CCN(C(=O)c4ccc(Cl)cc4)CC3)C2)CN1 1772810100 IXFNUIULNHLMRM-FQEVSTJZSA-N 405.882 1.310 0 50 HDAA O=C(CCn1ccccc1=O)N[C@@H]1CN(CCOc2ccc(F)cc2)CC[C@@H]1O 1857674973 FYIRIVOHESOJEH-MOPGFXCFSA-N 403.454 1.008 0 50 HDAA CCOC(=O)[C@@]12CC[C@H](N3CCOCC3)C[C@H]1CCN(c1nc(C(N)=O)cs1)C2 1857685530 MAFASULZKVJRMG-QEEYODRMSA-N 422.551 1.503 0 50 HDAA Cc1cn(CC(=O)N[C@H]2CC[C@@H](NC(=O)Cc3ccccc3Cl)C2)c(=O)nc1O 1857686293 PNBPCHBLHZFJNX-CABCVRRESA-N 418.881 1.307 0 50 HDAA CCOC(=O)[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CCN(C(=O)c1ccc(CO)o1)C2 1857693952 UKRIORWRHGWEOE-DRSNIGMVSA-N 420.506 1.668 0 50 HDAA CC(C)[C@@H]1CO[C@@]23CCN(C(=O)CCc4nc(-c5ccco5)no4)[C@@H]2CC(=O)N13 1857731683 WZGYQKWMAXBTGS-AGKSTNPPSA-N 400.435 1.847 0 50 HDAA Cc1ccsc1C(=O)NCCc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 1857797942 FYOZLYJRTQFPLM-UHFFFAOYSA-N 407.561 1.965 0 50 HDAA O=C1C[C@@H](c2ccc(S(=O)(=O)N3CCO[C@H](COc4ccccc4)C3)cc2)CN1 4727367 BMIOAFSJAAKSSD-MJGOQNOKSA-N 416.499 1.759 0 50 HDAA CS(=O)(=O)N1CCC(Oc2ccc(C(=O)N3CCC[C@H](O)C3)cc2Cl)CC1 11843733 ZXRBDCIWMSRXTP-AWEZNQCLSA-N 416.927 1.740 0 50 HDAA CC(C)Cc1cc(CNC(=O)[C@H]2CCC(=O)N(CCCN3CCCC3=O)C2)on1 12073530 OUHHSFJWYNRQIQ-INIZCTEOSA-N 404.511 1.740 0 50 HDAA COc1cccc(CN2CCNC(=O)[C@H]2CC(=O)N(C)Cc2ccno2)c1OC 12703711 AJSWAHMRGFNNJN-MRXNPFEDSA-N 402.451 1.041 0 50 HDAA COCc1cc(CN2CCN3C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H]3C2)ccc1OC 14750543 MDMBEDNKWKCEHY-RBUKOAKNSA-N 403.523 1.741 0 50 HDAA O=C(NC[C@H]1COCCO1)c1coc(CN2CCN(Cc3ccccc3)CC2)n1 20322234 CZDGNCYRHLIPPB-SFHVURJKSA-N 400.479 1.138 0 50 HDAA COCCS(=O)(=O)c1ncc(CN2CCN(C)C(=O)[C@@H]2C)n1Cc1ccccc1 55155004 VUICKULQRSYGSZ-INIZCTEOSA-N 420.535 1.014 0 50 HDAA O=C(CSc1ncccn1)N1CCC[C@@H](CNS(=O)(=O)Cc2ccccc2)C1 67847184 PCVCDVDUOPVYGN-KRWDZBQOSA-N 420.560 1.927 0 50 HDAA CN(Cc1cnccn1)C(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(Cc4ccc(F)cc4)C(=O)[C@H]13)O2 77406630 YETZPOGYWFTUHL-WEMPKCCASA-N 408.433 1.556 0 50 HDAA COc1ccc(OC2CCN(C(C)=O)CC2)c(C(=O)N[C@H]2CCC(=O)N(C)C2)c1 95499020 MNIFQFOLMKPXEP-HNNXBMFYSA-N 403.479 1.436 0 50 HDAA NC(=O)c1noc([C@@H]2CCCN2S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)n1 170616444 PXCUNBXQQHGAKK-JTQLQIEISA-N 408.333 1.852 0 50 HDAA CN1C[C@H]2CN(C(=O)c3ccc(S(=O)(=O)Nc4ccccc4)cc3)CCN2C1=O 225640067 MWBSJRBWWUHLGY-KRWDZBQOSA-N 414.487 1.679 0 50 HDAA O=C(C[C@H]1NC(=O)c2ccccc2NC1=O)NC1CCN(C(=O)c2ccccc2)CC1 886025406 NJDZOGNCVFOWIB-LJQANCHMSA-N 420.469 1.548 0 50 HDAA CCc1ccc(N2C[C@@H](C(=O)N3CCCC[C@H]3CCNS(C)(=O)=O)CC2=O)cc1 918639973 LCZMWASPGLXOKC-ROUUACIJSA-N 421.563 1.922 0 50 HDAA O=C(NCCNS(=O)(=O)Cc1ccon1)N1Cc2ccccc2N2CCC[C@H]2C1 1478081535 JDHROXHSEQRPMG-KRWDZBQOSA-N 419.507 1.288 0 50 HDAA CCn1ccc(C(=O)N2CCC3(CC2)CN(CC2CCC2)C(=O)CCO3)cc1=O 1857724485 YFHDCUQFKAPILH-UHFFFAOYSA-N 401.507 1.892 0 50 HDAA CCN(CC)CC(=O)N1C[C@@H]2[C@H](CNC(=O)c3cnc(C)c(C)c3)[C@H]3CC[C@]2(C1)O3 1857735517 QRJHYLWTBZGNLX-DZCCDHAISA-N 414.550 1.776 0 50 HDAA COc1cccc(CNC(=O)[C@@]23CCCCN2C[C@@H](NC(=O)Cn2ccnc2)C3)c1 1875247683 OBHUOYLRDJVHGH-AVRDEDQJSA-N 411.506 1.321 0 50 HDAA CCOC(=O)C1=C(N)N2C(=O)[C@@H](C)SC2=C(C(=O)OC)[C@@H]1c1ccccc1OC 1075429 ILCPEENVIYSJBC-ZWNOBZJWSA-N 418.471 1.874 0 50 HDAA CS(=O)(=O)N(CC(=O)NCCSCc1ccco1)c1ccc2c(c1)OCO2 2881195 GDQKDINTCSQQCN-UHFFFAOYSA-N 412.489 1.824 0 50 HDAA COc1ccc(CCNC(=O)C(=O)NC[C@@H]2COc3ccccc3O2)cc1OC 6470350 ZHNMLKYJGXYMRF-OAHLLOKOSA-N 400.431 1.319 0 50 HDAA Cc1cccc(C(=O)N2CCN3C(=O)[C@H]([C@@H](C)OCc4ccccc4)NC(=O)[C@H]3C2)c1 14754988 DRAHVMHSSAXRNA-UIFIKXQLSA-N 421.497 1.752 0 50 HDAA COCCN1C(=O)C[C@H](C(=O)OC)C12CCN(Cc1ccc3c(c1)CCO3)CC2 14971951 DWRSHDJWUFVREN-GOSISDBHSA-N 402.491 1.624 0 50 HDAA COc1ccc(CN2CCC[C@@H](n3cc(C(=O)NCCO)nn3)C2)c2ccccc12 15070499 KGRQYOBVPBFQRO-QGZVFWFLSA-N 409.490 1.999 0 50 HDAA COc1ccc(OC2CCN(C(C)=O)CC2)c(C(=O)NCCc2nncn2C)c1 95509931 FKRJAIYIYIFUJO-UHFFFAOYSA-N 401.467 1.186 0 50 HDAA COc1ccc(CCNC(=O)[C@H]2[C@H]3C=C[C@@]4(CN(Cc5ccco5)C(=O)[C@H]24)O3)cc1 137122320 OGMHKZMTPVWMHG-NVJIOZQYSA-N 408.454 1.929 0 50 HDAA COc1ccc(S(=O)(=O)Nc2c(C)ccc(O)c2C)cc1[C@@]1(C)NC(=O)NC1=O 225697604 RUSZBGKMUSURQN-LJQANCHMSA-N 419.459 1.873 0 50 HDAA COc1cccc(CN2CCC[C@@]3(CCN(C(=O)Cn4cccn4)C3)C2=O)c1OC 426734542 SNDQNLGNUFQVNU-QFIPXVFZSA-N 412.490 1.942 0 50 HDAA CCOC(=O)[C@@]12CC[C@H](N3CCOCC3)C[C@H]1CCN(c1ccc(C(N)=O)cn1)C2 1857692997 CXRZHAVIURYYLP-KGVIQGDOSA-N 416.522 1.441 0 50 HDAA Cc1ccn2ncc(C(=O)N[C@@H]3CN(C(=O)c4cc(C)c(F)cc4F)C[C@@H]3O)c2c1 1875300243 TVFCGAGQFZSSKV-MJGOQNOKSA-N 414.412 1.845 0 50 HDAA CSc1cc(F)ccc1C(=O)N[C@@H]1Cc2ccccc2[C@H]1NC(=O)C1(O)COC1 1875344874 PXEBBOHFXXJDMW-SJLPKXTDSA-N 416.474 1.821 0 50 HDAA CCOC(=O)[C@H]1CCCN(C(=O)c2cc(-c3ccco3)n3cnc(C(N)=O)c3n2)C1 1875350771 ZYWSJSICINMQRV-LBPRGKRZSA-N 411.418 1.504 0 50 HDAA COCCN1C=C(C(=O)OC)C(c2ccc(OC)c(OC)c2OC)C(C(=O)OC)=C1 2731829 MDIAGNIDXCATSY-UHFFFAOYSA-N 421.446 1.872 0 50 HDAA CCn1cc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cnn(CC)c3C)C2)c(C)n1 2802295 UFHYHNVUUWPRGF-HNNXBMFYSA-N 408.528 1.776 0 50 HDAA O=C1CC[C@@H](CN(Cc2ccncc2)C(=O)c2cn(Cc3ccccc3F)nn2)N1 11821999 DPXCEVXLPZRZRH-KRWDZBQOSA-N 408.437 1.782 0 50 HDAA COc1ccccc1[C@@H]1CN(CCNC(=O)Cn2cnnn2)Cc2ccccc2O1 19742868 RUGPANHJOKZZJD-FQEVSTJZSA-N 408.462 1.434 0 50 HDAA CN(C)[C@H]1CCN(S(=O)(=O)c2ccc3c(c2)CN(C(=O)c2cccnc2)CC3)C1 77374958 ZBZKPMXZTGSRMI-IBGZPJMESA-N 414.531 1.605 0 50 HDAA Cc1noc(C)c1CN(C)C(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(Cc4cccnc4)C(=O)[C@H]13)O2 77388765 BIXCEGBBKVOWQT-WEMPKCCASA-N 408.458 1.627 0 50 HDAA CCCS(=O)(=O)N1CCc2cc(S(=O)(=O)NCc3cc(C)on3)ccc2C1 77542095 IKZAQVIEKPHENK-UHFFFAOYSA-N 413.521 1.559 0 50 HDAA CCOC(=O)c1ccc(N2C(=O)C[C@H](N3CCN(c4ccccn4)CC3)C2=O)cc1 100570698 PSYOXTXALDBHJY-SFHVURJKSA-N 408.458 1.712 0 50 HDAA CC(C)NS(=O)(=O)c1cccnc1NC[C@@H](O)COc1ccc2c(c1)OCO2 225465726 MOTBCJWVPRFPEH-CYBMUJFWSA-N 409.464 1.349 0 50 HDAA COc1ccc(CCN2C(=O)[C@H](CCC(=O)N[C@@H](CO)C(C)C)N=C2O)cc1OC 252539481 OCCXBAKJTUOTNQ-HOTGVXAUSA-N 421.494 1.284 0 50 HDAA CO[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@H](O)[C@@H]1N1C(=O)c2ccccc2C1=O 255984886 LDLANDFJIIDMRD-AGDMHFJJSA-N 411.410 1.498 0 50 HDAA in-vitro Cc1ccccc1OCC(=O)N1CCC[C@@H](n2ncc(N3CC[C@H](O)C3)cc2=O)C1 328606088 QKBWWSOOJARKLG-MJGOQNOKSA-N 412.490 1.365 0 50 HDAA COC[C@@H]1CN(c2ncnc3c2ncn3C[C@@H](CO)[C@H]2CCOC2)CC(C)(C)O1 824372051 DCFKJLMYGGQYJG-JYJNAYRXSA-N 405.499 1.102 0 50 HDAA Cn1cc(S(=O)(=O)N2CCC[C@@H](CNC(=O)c3ccc4c(c3)CCO4)C2)cn1 825658330 FMLYBYDUEIAKRD-AWEZNQCLSA-N 404.492 1.186 0 50 HDAA O=C(CN1CCc2ccccc2C1)Nc1ccc(OCC(=O)N2CCOCC2)cc1 828057212 QJPXDOAFYGAUNO-UHFFFAOYSA-N 409.486 1.921 0 50 HDAA NC(=O)COc1ccc(S(=O)(=O)N2CCC[C@H](OCc3ccccn3)C2)cc1 952868728 SDFDIYZIBRLMRX-KRWDZBQOSA-N 405.476 1.316 0 50 HDAA CNS(=O)(=O)CCNC(=O)[C@@H]1CCCC[C@@H]1C(=O)Nc1ccc(Cl)cc1 1616099166 WORXTXULCADEFP-CABCVRRESA-N 401.916 1.750 0 50 HDAA Cc1cc(C(=O)N2C[C@@H]3CN(S(=O)(=O)CC(C)C)C[C@@]3(CN(C)C)C2)nc(C)n1 1772818283 BYURZVOWTHKYLU-YLJYHZDGSA-N 423.583 1.015 0 50 HDAA CC(C)c1nc(CN2C[C@H]3CN(C(=O)Cn4cccn4)C[C@]3(CN(C)C)C2)co1 1775979411 HTDZABYCNUOUIJ-UWJYYQICSA-N 400.527 1.517 0 50 HDAA CCc1ncc(S(=O)(=O)N2CCO[C@@]3(CCN(c4nncc(C)c4C)C3)C2)[nH]1 1857668086 ITBUIOSQPPNJOR-GOSISDBHSA-N 406.512 1.049 0 50 HDAA N=c1nc(C2CCN(C(=O)c3cc4c(s3)C3(CCNCC3)OCC4)CC2)[nH][nH]1 1857688331 DGUWZGWQTMQSKU-UHFFFAOYSA-N 402.524 1.450 0 50 HDAA CN1C[C@]23C=C[C@H](O2)[C@H](C(=O)N2CCc4[nH]nc(-c5ccccc5)c4CC2)[C@@H]3C1=O 1857710342 RXLYUGFPDWYOOU-XWQURZDVSA-N 404.470 1.416 0 50 HDAA Cc1nnc(N2C[C@@H](C(=O)N3CCN(c4ncccc4Cl)CC3)CC2=O)s1 1857720314 OMFGEMUBRSTARX-LBPRGKRZSA-N 406.899 1.597 0 50 HDAA COc1ccnc(N2C[C@@H]3[C@H](CNC(=O)c4cncc(Cl)c4)[C@H]4CC[C@]3(C2)O4)n1 1857721040 WVMQSZAIDPYZNP-QCBUCWTNSA-N 415.881 1.947 0 50 HDAA O=C(NCCCn1ccccc1=O)NC[C@H](O)COc1cccc(C(F)(F)F)c1 1875253527 YSNWELQKJHJHAP-HNNXBMFYSA-N 413.396 1.996 0 50 HDAA O=C(c1cc(O)ncn1)N1CC[C@@H]([C@@H]2CCCN2C(=O)c2ccc3nn[nH]c3c2)C1 1875360619 JULGCVLSRGXDCX-DYVFJYSZSA-N 407.434 1.220 0 50 HDAA Cc1ccccc1[C@@H]1[C@@H](C(=O)NCc2nc(-c3ccccn3)no2)OCC(=O)N1C 1940197786 QNZBHCPVRTZOGW-MOPGFXCFSA-N 407.430 1.655 0 50 HDAA COc1ccc([C@H]2NC(=O)CO[C@@H]2C(=O)N2C[C@@H]3CC[C@H](C2)[C@@H]3OC)cc1OC 2100540572 LUDMMBRCRHAUAE-URYUKNHISA-N 404.463 1.143 0 50 HDAA C=CC(=O)N1CCC[C@H](C(=O)N2CCN(S(=O)(=O)c3ccccc3C)CC2)C1 2325889544 VPTCKCYBCRIIIX-KRWDZBQOSA-N 405.520 1.253 0 50 HDAA CC1=NN(C(=O)c2ccn(Cn3cc(Br)cn3)n2)[C@](O)(C(F)F)C1 6263575 QZQLQHHVFXHPIA-CYBMUJFWSA-N 403.187 1.523 0 50 HDAA CCN(CC)C(=O)Cn1cc(C(=O)N2CCCC[C@H]2CCn2ccnc2C)nn1 12316136 YMACKLZEMPRJJU-KRWDZBQOSA-N 401.515 1.736 0 50 HDAA COc1ccccc1NC(=O)c1cccc(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 12379417 LWBLOQCNJDDJKL-UHFFFAOYSA-N 417.487 1.800 0 50 HDAA O=C1CC[C@H](C(=O)N2CCc3c(Cl)cccc3C2)CN1CCN1CCOCC1 15073773 PPDDNPQHFSLBKV-KRWDZBQOSA-N 405.926 1.796 0 50 HDAA CCN1CCN(C(=O)CN(c2ccc(Br)cc2)S(C)(=O)=O)CC1 20352333 XLYWXDADEDCZEV-UHFFFAOYSA-N 404.330 1.379 0 50 HDAA Cc1ccc(F)cc1S(=O)(=O)N1CCN(c2cc(-n3ccnc3)ncn2)CC1 67630149 AGJBMSJAHOFIBJ-UHFFFAOYSA-N 402.455 1.621 0 50 HDAA Cn1cc([C@H]2C[S@](=O)CCN2C(=O)COc2cccc(Br)c2)cn1 170614426 HBKCNRRYTAHTFI-OYLFLEFRSA-N 412.309 1.894 0 50 HDAA O=S(=O)(Oc1ccc(-n2cnnn2)cc1)c1ccccc1S(=O)(=O)C(F)F 225549268 FAAKVXGITRLGML-UHFFFAOYSA-N 416.387 1.426 0 50 HDAA CCN1Cc2ccccc2C[C@H]1C(=O)N1CCN(c2cc(C)nc3ncnn23)CC1 952962141 BSAWFMISFVDTKF-IBGZPJMESA-N 405.506 1.528 0 50 HDAA CC(=O)Nc1c[nH]nc1[C@@H]1CCCN(C(=O)NCc2n[nH]cc2Br)C1 1320789291 NJEDXGQGKBEVFO-SNVBAGLBSA-N 410.276 1.943 0 50 HDAA CC[C@H]1[C@@H](C(=O)OC)C[C@H]2CN(C(=O)c3nc4ccc(C)cn4c3F)CC(=O)N21 1857713465 KMRKPEDEOKUIEV-IHRRRGAJSA-N 402.426 1.406 0 50 HDAA CCn1c(O)nc2cc(C(=O)N[C@H]3CCN(c4cccc(C)c4)C3=O)ccc2c1=O 2325865145 OZXIMRLCOTUYPN-KRWDZBQOSA-N 406.442 1.966 0 50 HDAA Cc1nc(C(=O)N[C@@H](Cn2cncn2)c2ccccc2)nc(N2CC[C@@H](N)C2)c1C 2325876548 ZCYPMBXTYLZBOX-MSOLQXFVSA-N 406.494 1.394 0 50 HDAA CCn1ncc(C(=O)NC)c1NC(=O)[C@@H]1CC(=O)N(c2ccc(OC)c(Cl)c2)C1 2356167043 RRCJKLOOCXABOW-LLVKDONJSA-N 419.869 1.916 0 50 HDAA NC(=O)c1ccc(NC(=O)CCSCCC(=O)Nc2ccc(C(N)=O)cc2)cc1 2746787 YXYMRZDVRCOQOP-UHFFFAOYSA-N 414.487 1.975 0 50 HDAA O=C(O)CCN1C(=O)c2ccc(S(=O)(=O)c3ccc(C(=O)O)cc3)cc2C1=O 4695755 IODNZRUSDQKEQG-UHFFFAOYSA-N 403.368 1.288 0 50 HDAA O=C(NCCOc1ccc(F)cc1)[C@@H]1CCC(=O)N(CCCN2CCCC2=O)C1 12022254 QLZRNAZDYCLMRJ-MRXNPFEDSA-N 405.470 1.572 0 50 HDAA Cc1c(C)n2c3c(=O)n(CCCO)c(=O)n(C)c3nc2n1-c1ccc(Cl)cc1 12529668 FWUPTNQXMPSMLU-UHFFFAOYSA-N 401.854 1.791 0 50 HDAA C[C@H]1CN(Cc2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2cccc(Cl)c2)C[C@@H](C)O1 13540547 IFVUYDJXTWBOHB-BETUJISGSA-N 417.897 1.734 0 50 HDAA O=C1N[C@@H](COCc2ccccc2)C(=O)N2C[C@@H](NCc3cc(F)ccc3F)C[C@@H]12 14744745 DJOQHAXJIFYIAD-IHPCNDPISA-N 415.440 1.739 0 50 HDAA COc1ccc(CN(C)Cc2cccnc2)c(OC[C@@H](O)CN2CCN(C)CC2)c1 23361319 IHTOKCPFJKZWHJ-NRFANRHFSA-N 414.550 1.709 0 50 HDAA Cc1cc(C)n(-c2cc(N3CCN(S(=O)(=O)c4cccc(F)c4)CC3)ncn2)n1 65363739 RNMMARFQTONUQA-UHFFFAOYSA-N 416.482 1.929 0 50 HDAA O=C([C@H]1[C@@H]2C=C[C@@]3(CN(CCOc4ccccc4)C(=O)[C@H]13)O2)N1CCSCC1 77285543 UVBNGOACABGAKR-NTLWEQJWSA-N 400.500 1.423 0 50 HDAA COCCn1c([C@@H](C)NC(=O)Cn2nc3c(cc2=O)CCCC3)nc2ccccc21 252488714 IXJZDHUNHAHRHV-OAHLLOKOSA-N 409.490 1.996 0 50 HDAA Cc1nc(C)c(C(=O)NC[C@@H]2CN(CC3CCN(CC4CC4)CC3)C(=O)CO2)s1 299779812 LDIYOAVKRGHXHJ-GOSISDBHSA-N 420.579 1.839 0 50 HDAA O=C(NCc1ccc2nc(O)[nH]c2c1)c1ccc(OCC(=O)N2CCOCC2)cc1 827968236 DLMIZIVOYNBFPT-UHFFFAOYSA-N 410.430 1.436 0 50 HDAA O=C1CN(S(=O)(=O)c2ccc3c(c2)OCCCO3)C[C@H](Cc2ccccc2)N1 1772700470 BKWVRIXQZWKLFT-INIZCTEOSA-N 402.472 1.580 0 50 HDAA Cc1cc(NC(=O)CN2C[C@H]3CN(Cc4cc[nH]n4)C[C@@]3(CO)C2)ccc1Cl 1772809250 QOZAULNVAYEEJR-QRWLVFNGSA-N 403.914 1.736 0 50 HDAA O=C(CCn1cnnc1)N1CCC[C@]2(CCc3c(O)nc(-c4cccnc4)nc32)C1 1857671871 VBLFGXYBHWFONA-NRFANRHFSA-N 405.462 1.732 0 50 HDAA O=C(c1cnc(O)[nH]1)N1CCC(N2C[C@H](COc3ccc(F)cc3)OCC2=O)CC1 1857673311 SLYYJTGZKGIION-MRXNPFEDSA-N 418.425 1.165 0 50 HDAA Cc1cc2nc[nH]c(=NC[C@]34CCCC[C@@H]3CN(C(=O)CN3CCOCC3)C4)c2[nH]1 1875327623 BXCJUAOXHMVXSW-VGSWGCGISA-N 412.538 1.451 0 50 HDAA COC(=O)[C@@H](Cc1ccncc1)NC(=O)c1ccc2nnc(-c3cccn3C)n2c1 2356144074 IPQQTYNIJPPADF-MRXNPFEDSA-N 404.430 1.644 0 50 HDAA Cc1ccc(S(=O)(=O)NCCSc2nnnn2-c2ccc(C(N)=O)cc2)cc1 2378106 HMIZSIKUJOVCHB-UHFFFAOYSA-N 418.504 1.140 0 50 HDAA COc1ccccc1NC(=O)[C@@H](CCS(C)(=O)=O)N1C(=O)c2ccccc2C1=O 2751356 URQOWYRXQNMXLF-MRXNPFEDSA-N 416.455 1.733 0 50 HDAA Cc1nccn1CCNC(=O)C[C@H]1C(=O)NCCN1Cc1c(F)cccc1Cl 12303120 LPXHVIRCPLMBSN-KRWDZBQOSA-N 407.877 1.491 0 50 HDAA COC(=O)C1CCN(C[C@@H](O)COc2cccc(CNCC(C)(C)OC)c2)CC1 12580794 XLMBKKUTZSPHOD-LJQANCHMSA-N 408.539 1.826 0 50 HDAA CCOC(=O)N1CCN(C(=O)c2cn(C[C@H]3COc4ccccc4O3)nn2)CC1 12705391 UJVRBWPHHKVXGB-AWEZNQCLSA-N 401.423 1.032 0 50 HDAA CCOc1ccccc1CN1CCNC(=O)[C@H]1CC(=O)N(C)Cc1cn(C)nc1C 14965992 ZEVSCXOGYFCFMY-LJQANCHMSA-N 413.522 1.476 0 50 HDAA COc1cccc(NC(=O)c2cn(CCNC(=O)Cc3ccccc3OC)nn2)c1 14996452 MJLQHLBKYAIMCV-UHFFFAOYSA-N 409.446 1.907 0 50 HDAA COc1cc2c(cc1/C=C1\SC(=O)N(CC(=O)N3CCOCC3)C1=O)OCO2 15011211 BVFROYGZDBHUHX-CHHVJCJISA-N 406.416 1.319 0 50 HDAA COc1cccc(CCNC(=O)C[C@H]2C(=O)NCCN2C2Cc3ccccc3C2)c1 15063981 HPQNAQJUHCLZOA-QFIPXVFZSA-N 407.514 1.712 0 50 HDAA COC(=O)COc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)cc1 19592504 MPSLGYGWMWWGAS-UHFFFAOYSA-N 404.488 1.745 0 50 HDAA CCN1CCC[C@H]1CNC(=O)C[C@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O 223243298 BFTNKUBUTTYVDD-QFBILLFUSA-N 411.506 1.621 0 50 HDAA C[C@H](C(=O)O)N1C(=O)[C@H]2[C@@H]3C[C@H]([C@H]2C1=O)[C@@H]1[C@H]3N1c1ccc(Br)cc1 244873614 WSZGIAKPYDEOHT-XEEMCMTMSA-N 405.248 1.730 0 50 HDAA Cc1nn(C)c(C)c1CCC(=O)N[C@@H]1C2CN3CCN(C2)CC1(c1ccccc1)C3 670473468 ZVZVLQUUBYODFJ-PAHOBDAQSA-N 407.562 1.653 0 50 HDAA CNS(=O)(=O)c1ccc(Br)c(C(=O)Nc2ccc3c(c2)C(=O)NC3)c1 1318056516 UCLHZBSYWQGRDA-UHFFFAOYSA-N 424.276 1.853 0 50 HDAA CC(C)[C@H]1NC(=O)[C@@H](C)NC(=O)CCCN(Cc2ccccc2)CCCNC1=O 1704319575 WXHUZDMMONYWKC-YLJYHZDGSA-N 402.539 1.434 0 50 HDAA Cn1ccnc1CN1CCC(N2C[C@H](COc3ccc(F)cc3)OCC2=O)CC1 1857677247 ZXXAJCRKQDEQTP-LJQANCHMSA-N 402.470 1.830 0 50 HDAA Cn1cnc2cc(C(=O)N3CC[C@@H](O)[C@@](CO)(Cc4ccccc4)C3)ccc2c1=O 1857718745 QYYBCLBHFLVCHU-OFNKIYASSA-N 407.470 1.362 0 50 HDAA CN(C)CCN1CC2(CCN(C(=O)c3cn(C)c4ccccc34)CC2)OCCC1=O 1875250994 JNDOQYLTWBUEQD-UHFFFAOYSA-N 412.534 1.964 0 50 HDAA O=C(Nc1cnccn1)[C@H]1CCCN(S(=O)(=O)c2cnn(-c3ccccc3)c2)C1 1875256641 MPATXBHFEFVXFH-HNNXBMFYSA-N 412.475 1.702 0 50 HDAA Cc1cncc(CC(=O)N2C[C@H]3C[C@H]2CC[C@H]3NC(=O)c2coc3c2C(=O)NCC3)c1 1875359234 YVJGFEKKGKETEZ-JFIYKMOQSA-N 422.485 1.621 0 50 HDAA CCN1C[C@H](C(=O)N2CCCC[C@H](NC(=O)[C@@H]3CCC[C@@H](C(N)=O)C3)C2)CCC1=O 2325864172 IFRIELWOZPBBFE-TVFCKZIOSA-N 420.554 1.034 0 50 HDAA C/C=C(\C)C(=O)N1CCN(C(=O)c2nc3ncc(CCO)cn3n2)[C@@H](CCCC)C1 2325872782 MWUVGYYBUHAIQE-GYKBNXPHSA-N 414.510 1.469 0 50 HDAA CCn1ncc(/C=c2/sc3n(c2=O)[C@H](c2ccccc2)C(C(=O)OC)=C(C)N=3)c1C 2801712 RBTULOCKNZTODC-GTENMVSRSA-N 422.510 1.933 0 50 HDAA NS(=O)(=O)c1ccc(NC(=O)CSc2nnnn2-c2ccc(F)cc2)cc1 2883270 SYBXYGYSAHGYQT-UHFFFAOYSA-N 408.440 1.180 0 50 HDAA CS(=O)(=O)N1CCC(Oc2ccc(C(=O)NCc3ncc[nH]3)cc2Cl)CC1 12299861 OLTRSJRVPYVLCO-UHFFFAOYSA-N 412.899 1.796 0 50 HDAA O=C(NCCc1nnc2n1CCN(Cc1ccc3c(c1)CCO3)CC2)c1ccoc1 23337579 ABJYFCPMRRZHIC-UHFFFAOYSA-N 407.474 1.837 0 50 HDAA C[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2CCOC3(CCOCC3)C2)C1=O 768384414 XGLUIKDOSRLIQT-IBGZPJMESA-N 405.426 1.001 0 50 HDAA COc1ccc(OCCCN2CCCN(S(=O)(=O)N3CCOCC3)CC2)cc1 1506397354 SBBPJTAUXMHJRN-UHFFFAOYSA-N 413.540 1.049 0 50 HDAA Cn1ncc2c1CCN[C@@H]2C(=O)N1CCO[C@@H](c2ccccc2Br)C1 1857530277 LHXMWUSKNGPHEC-SJORKVTESA-N 405.296 1.970 0 50 HDAA CC(C)c1ncc(CN2CCC3(CC2)CC(=O)N(CC(=O)N(C)C)CCO3)cn1 1857686264 NWMILHFRGJAODM-UHFFFAOYSA-N 403.527 1.272 0 50 HDAA CNC(=O)Cc1nc(C2CCN(c3nc4nc(C)ccc4o3)CC2)n(CCCO)n1 1857720131 GDKVLRILHNTZRR-UHFFFAOYSA-N 413.482 1.178 0 50 HDAA CC(=O)NCc1cnc2c(c1)CN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)CC2 1875245942 GHZSRNWOBFPHKD-UHFFFAOYSA-N 401.488 1.249 0 50 HDAA O=C(c1ccc(-c2nn[nH]n2)cn1)N(CCO)Cc1cncc(Br)c1 1875329720 FOLFYJQINDBGOG-UHFFFAOYSA-N 404.228 1.054 0 50 HDAA O=C1CC[C@@H](N2Cc3c(cccc3-n3cc([C@H]4CC[C@H](CO)CC4)nn3)C2=O)C(=O)N1 1875356522 PGXALISNNNHKJJ-PJIJBLCYSA-N 423.473 1.294 0 50 HDAA CCN1C[C@@H](C(=O)N2CCCCC[C@H](NC(=O)c3cccc(CO)c3)C2)CCC1=O 2325864737 YOQMORJVRKSUGV-PMACEKPBSA-N 415.534 1.938 0 50 HDAA CN(C)c1cccc2c(S(=O)(=O)N[C@H](CCCNC(N)=O)C(=O)O)cccc12 4517192 ZOIMHPVNJYGOEJ-CQSZACIVSA-N 408.480 1.086 0 50 HDAA COc1cccc(CNCCCc2cccnc2)c1OC[C@@H](O)CN1CCOCC1 12307827 JHAOXNJAJADDAX-NRFANRHFSA-N 415.534 1.885 0 50 HDAA COCCCn1c(CN2CCC([C@@H](O)CC(C)C)CC2)cnc1S(C)(=O)=O 12317004 CEJLUKSIQDXSLK-SFHVURJKSA-N 401.573 1.942 0 50 HDAA CCc1csc(CCNC(=O)[C@H]2CCC(=O)N(CCCN3CCCC3=O)C2)n1 12612394 LEQWVIKYZWBPOY-HNNXBMFYSA-N 406.552 1.615 0 50 HDAA CC(C)CN1C[C@H](OCc2cccc(F)c2)CN(C(=O)[C@@H]2CCC(=O)N2)CC1=O 14755145 AOELNNOBQOHNGW-ROUUACIJSA-N 405.470 1.316 0 50 HDAA O=C(N[C@H]1C[C@H]2C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N2C1)OCc1ccccc1 14755769 IVKBGHRTSQIAOF-WDSOQIARSA-N 409.442 1.329 0 50 HDAA CSCCC(=O)N1CCc2nnc([C@@H](CC(C)C)NC(=O)CN(C)C)n2CC1 14969947 AZXAXBDQCOKRDO-OAHLLOKOSA-N 410.588 1.181 0 50 HDAA COC(=O)c1cc(C)nc2c1c(=O)n(CC(=O)NC(C)(C)C)c(=O)n2-c1ccccc1 20345008 WACZFCXCQYRDAP-UHFFFAOYSA-N 424.457 1.557 0 50 HDAA O=C(Cn1nc(N2CCN(c3ccccc3)CC2)ccc1=O)NCc1cccnc1 35375632 IMZGHMVUGLVRIU-UHFFFAOYSA-N 404.474 1.281 0 50 HDAA Cc1nc(N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc(-n2cccn2)n1 65362953 JFVXWTRQTXYPRI-UHFFFAOYSA-N 402.455 1.621 0 50 HDAA COc1cc(F)ccc1CN1CC[C@H](N2CCN(c3ccccn3)CC2)[C@@H](O)C1 247898699 PPDRMBMCMKRSEM-PMACEKPBSA-N 400.498 1.987 0 50 HDAA COc1ccccc1CCN1C(=O)[C@@H](CCC(=O)NCC2CCOCC2)N=C1O 252548536 QASJDOMCXOXWQV-QGZVFWFLSA-N 403.479 1.686 0 50 HDAA CC(=O)N1CCCC[C@@H]1CCS(=O)(=O)N1CCC[C@H]1CN1C[C@H](C)O[C@H](C)C1 253432818 OOFKIKYAMIQVKB-BWPNAZKDSA-N 415.600 1.681 0 50 HDAA CCCc1cc(C(=O)NC[C@H]2CN(C3CCN(C4CCC4)CC3)C(=O)CO2)n(C)n1 299773472 CDZCTVQCADBKQJ-IBGZPJMESA-N 417.554 1.347 0 50 HDAA O=C(N[C@@H]1C2CN3CCN(C2)CC1(c1ccccc1)C3)c1scc2c1OCCO2 670448939 LKEDVPOREJCFRQ-YOMPXFNTSA-N 411.527 1.817 0 50 HDAA O=C(N[C@H]1CCS(=O)(=O)C2(CC(C(=O)N[C@H]3C[C@H]4CC[C@H]3C4)C2)C1)c1ccon1 952876190 FEXXKRDMWMUWEG-UBSLETMASA-N 421.519 1.435 0 50 HDAA CN1C[C@H]2CN(c3cc4c(nn3)CCN(C(=O)C[C@@H](O)CC(C)(C)C)C4)C[C@H]2C1 952890948 OLJDWBUCIGNHJV-FGTMMUONSA-N 401.555 1.546 0 50 HDAA CCOC(=O)CNC(=O)N1CCC[C@]2(CCc3c(O)nc(-c4cccnc4)nc32)C1 1857740586 LIIUNNXHVNOAMT-NRFANRHFSA-N 411.462 1.797 0 50 HDAA CCN1C[C@@H](C(=O)N2CCCC[C@H](NC(=O)c3c(N)cccc3F)C2)CCC1=O 2325864144 HRHHAQFWZUDQJF-GJZGRUSLSA-N 404.486 1.777 0 50 HDAA NCCc1ccc(NC(=O)c2ccc3c(c2)C(=O)N([C@H]2CCC(=O)NC2=O)C3)cc1 2325897348 UXYLONPHVNRJRC-SFHVURJKSA-N 406.442 1.201 0 50 HDAA Cc1cc(C)n(CCC(=O)N2CCC[C@]3(CCc4cnc(N(C)C)nc43)C2)c(=O)n1 2356134727 ZGBUEWUKVSQZAJ-QFIPXVFZSA-N 410.522 1.613 0 50 HDAA O=C([C@@H]1CCCO1)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 6700416 YSYBKOPAGSWBIO-JTQLQIEISA-N 409.327 1.523 0 50 HDAA CCOC(=O)[C@H]1CS[C@H](CC(=O)Nc2ccc(Br)cc2)C(=O)N1 9303597 WOUHOLQDEWGYFE-VXGBXAGGSA-N 401.282 1.941 0 50 HDAA CN(C)C1(CNC(=O)C[C@H]2C(=O)NCCN2Cc2cccc(F)c2)CCCCC1 11844092 PKQLUSRJRBQIBR-IBGZPJMESA-N 404.530 1.897 0 50 HDAA COc1ccc(S(=O)(=O)NC[C@H]2CCCN(C(=O)CCn3cccn3)C2)cc1 12708657 RRJVXLLSBJZRNQ-MRXNPFEDSA-N 406.508 1.499 0 50 HDAA COc1ccccc1CCCNC(=O)[C@H]1CCC(=O)N(CCN2CCOCC2)C1 20406298 JIOAYGRCAIZHGU-IBGZPJMESA-N 403.523 1.315 0 50 HDAA CCS(=O)(=O)N1CCN(C(=O)c2ccc(OCc3c(C)noc3C)cc2)CC1 20616210 KRLLRBJTQRIODB-UHFFFAOYSA-N 407.492 1.978 0 50 HDAA CCN(CC)C(=O)CN1CCc2c(c(C(=O)NCCOC)nn2CCC(C)C)C1 20869706 HINLOIPOEZLWIF-UHFFFAOYSA-N 407.559 1.532 0 50 HDAA CCOc1nc2ccccc2nc1N1CCC[C@@H](C(=O)N2CCC(C(N)=O)CC2)C1 35373564 XKXQIUZNDCJHLC-MRXNPFEDSA-N 411.506 1.969 0 50 HDAA COc1cccc(S(=O)(=O)N2CCN(c3cc(N4CCCC4)ncn3)CC2)c1 38530273 ZCIXKLDELWFXFB-UHFFFAOYSA-N 403.508 1.596 0 50 HDAA O=S(=O)(c1ccc(F)c(F)c1)N1CCN(c2ccc(-n3cccn3)nn2)CC1 67604312 AQZPGUHTMDVGEC-UHFFFAOYSA-N 406.418 1.451 0 50 HDAA Cc1nccn1-c1cc(N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)ncn1 67621285 FUQOJUOPWXHWLR-UHFFFAOYSA-N 402.455 1.621 0 50 HDAA CCC(CC)CN1C[C@]23C=C[C@H](O2)[C@H](C(=O)N(C)CCn2ccnc2C)[C@H]3C1=O 77469801 VFUDGDFLBPRRIT-OZIGNCPNSA-N 400.523 1.868 0 50 HDAA COCCN(C)CCN1C[C@H](NC(=O)c2ccn(-c3ccccc3Cl)n2)CC1=O 328591898 QACGLPKMXMAEJR-OAHLLOKOSA-N 419.913 1.435 0 50 HDAA Cn1cc(NC(=O)CCN2CCN(c3ccccn3)CC2)cc(Br)c1=O 446679076 XGMOCGRURPEJPO-UHFFFAOYSA-N 420.311 1.694 0 50 HDAA O=C(NC12C[C@@H]3C[C@H](C1)CC(n1ncnn1)(C3)C2)[C@@H]1CCCN(C2CCOCC2)C1 670439921 IFKLBSVYKAQMQM-CDNWVTEYSA-N 414.554 1.728 0 50 HDAA Nc1nccc([C@@H]2CCCN(C(=O)c3cc(S(N)(=O)=O)cc(Cl)c3F)C2)n1 803238286 WYFUTLAZKRCCPX-SECBINFHSA-N 413.862 1.519 0 50 HDAA COCCCn1cnnc1CNS(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2 824396839 AYGPUCYKIUGEAH-UHFFFAOYSA-N 401.448 1.512 0 50 HDAA Cn1c(=O)oc2ccc(S(=O)(=O)N[C@H]3CCCN(C(=O)c4ccco4)C3)cc21 828188853 CWZKRKLTKWRXRO-LBPRGKRZSA-N 405.432 1.308 0 50 HDAA O=C(Nc1cc(-c2nn[nH]n2)ccc1F)c1ccc(S(=O)(=O)N2CCCC2)o1 1436650504 XZKXRWYMRMNVOP-UHFFFAOYSA-N 406.399 1.636 0 50 HDAA COc1ccnc(CN2CC3(CCN(C[C@H]4CCOC4)CC3)OCCC2=O)c1OC 1704316283 LQHFAOGLYYMCDK-QGZVFWFLSA-N 419.522 1.719 0 50 HDAA CS(=O)(=O)c1cccc(C(=O)N2C[C@H]3CN(Cc4cccnc4)C[C@@]3(CO)C2)c1 1772814686 NRWZLSWZFPVMIM-NQIIRXRSSA-N 415.515 1.052 0 50 HDAA CN(C)C[C@]12CN(C(=O)C3CCCCC3)C[C@@H]1CN(c1cnc(C(=O)O)cn1)C2 1800410760 ZUNPTHWRNGJKEZ-KKSFZXQISA-N 401.511 1.582 0 50 HDAA COCCC[C@@]1(CO)CN(C(=O)c2cnc(-c3cccnc3)nc2C)CC[C@H]1O 1857715380 OXTNZHCVWRPLSF-NQIIRXRSSA-N 400.479 1.459 0 50 HDAA CS(=O)(=O)NC[C@H]1[C@H]2CN(C(=O)c3scc4c3CCCC4)C[C@]23CC[C@H]1O3 1875240707 XUTFGYAKFMZTND-WFXMFSGNSA-N 410.561 1.796 0 50 HDAA Oc1cccc2c1CCC[C@@H]2NC[C@H](O)[C@H](O)[C@@H](O)c1cnn(-c2ccccc2)n1 1875262842 SXTMVNHZAXLGRA-MQGJPIDWSA-N 410.474 1.395 0 50 HDAA CC[C@H](Cc1cn([C@@H]2CN(C(=O)Cc3cccc(C(N)=O)c3)C[C@@H]2C)nn1)C(=O)O 1875357055 ZDXKNZCVMFNYNQ-JCKWVBRZSA-N 413.478 1.292 0 50 HDAA O=C(NC[C@H]1C=CCN1C(=O)c1n[nH]c2c1CCSC2)[C@@H](O)c1ccc(F)cc1 2325872200 LZDBYLGLOFSRNO-KDOFPFPSSA-N 416.478 1.569 0 50 HDAA Cn1cc(C(=O)N=[S@](C)(=O)C2CCN(C(=O)c3csnn3)CC2)c(C2CC2)n1 2332238533 BIGMHLHEXJOBEN-MUUNZHRXSA-N 422.536 1.692 0 50 HDAA COc1cccc(C(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c1OC 899969 QHEYNDYXUQMJLF-UHFFFAOYSA-N 408.451 1.990 0 50 HDAA CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)C[C@@H](C)c3ccccc3)[C@H]2SC1 8489897 NFWOAGOKRSGCBI-XNPNBVRTSA-N 418.471 1.482 0 50 HDAA Cc1nccn1CCCNC(=O)C[C@H]1C(=O)NCCN1Cc1ccc(F)cc1Cl 11819183 BXKVECJFERTKLK-SFHVURJKSA-N 421.904 1.881 0 50 HDAA O=C(C[C@H]1C(=O)NCCN1Cc1ccc(F)c(F)c1)NCCc1ccc(O)cc1 20780982 BEPKIWRFXCYVPF-IBGZPJMESA-N 403.429 1.720 0 50 HDAA O=C(NCCCN1CCOCC1)c1cccc(NS(=O)(=O)c2ccccc2)c1 20818791 SSXQVVOMIGJQEA-UHFFFAOYSA-N 403.504 1.940 0 50 HDAA C[C@H](Cn1cncn1)NC(=O)c1coc(CN2CCN(c3ccccc3F)CC2)n1 55108126 PONWSXVMQRAGIQ-OAHLLOKOSA-N 413.457 1.546 0 50 HDAA COc1ccccc1/C=C/CN1CCNC(=O)[C@@H]1CC(=O)N(C)Cc1ccccn1 55284744 WKQWPGKYOUITSM-JCOOBLOPSA-N 408.502 1.953 0 50 HDAA COC(=O)C[C@H](c1cc(OC)c2c(c1)OCCO2)c1c(O)n2ccccc2nc1=O 205948070 QJIPTPNBZMVISD-CYBMUJFWSA-N 412.398 1.875 0 50 HDAA O=C(COC(=O)CCN1C(=O)[C@H]2[C@H]3C=C[C@H]([C@H]2C1=O)[C@@H]1C[C@@H]31)Nc1ccc(F)cc1 239038774 DXECMJXJDXDTLH-BVBVUKCESA-N 412.417 1.751 0 50 HDAA O=C1NC(=O)[C@@]2(CCCN(C(=O)c3ccc4c(c3)C[C@H](c3ccccc3)OC4=O)C2)N1 790235542 SCYBRQDGQYHFFR-JPYJTQIMSA-N 419.437 1.955 0 50 HDAA CC[C@]1(C(=O)NCCc2cnc[nH]2)C[C@H]2CC[C@@H]1N2C(=O)c1nn(C)cc1Cl 1704298243 FPJOTCFOBRTJBX-WTANOLMUSA-N 404.902 1.929 0 50 HDAA NC(=O)CN1[C@H]2CC[C@@H]1C[C@]1(C2)CN(C(=O)Cc2ccc(F)cc2Cl)CCO1 1857679201 HMUGRVMLEBMKAH-IGOJGBNBSA-N 409.889 1.731 0 50 HDAA Cc1noc(C)c1S(=O)(=O)N1CC[C@@]23O[C@H](c4ccccc4)CN2C(=O)C[C@@H]13 1857717239 NVIDURSBMOBJAG-FCEWJHQRSA-N 403.460 1.755 0 50 HDAA COCc1nnc(N2C[C@@H](C(=O)NCCCc3cccc(OC)c3)CC2=O)s1 1857723167 XJNBZOAKOOFWMT-AWEZNQCLSA-N 404.492 1.795 0 50 HDAA COC(=O)[C@H]1C[C@H]2CN(C(=O)c3n[nH]cc3Cl)CC(=O)N2[C@H]1c1ccccc1 1857726928 FRJFYLBGCQDLLP-DCGLDWPTSA-N 402.838 1.650 0 50 HDAA CCOC(=O)[C@@H]1CCCN(c2ncnc3c2ncn3CC2(CO)CCOCC2)C1 1875269316 WBIHZRHZRLJMOP-OAHLLOKOSA-N 403.483 1.395 0 50 HDAA C[C@@H](C(=O)N[C@@H]1c2ccccc2C[C@H]1NC(=O)Cc1cc(O)nc(O)n1)c1ccco1 2325850922 LAIJAPRPDVUSRU-CBLJQSSYSA-N 422.441 1.725 0 50 HDAA Cc1cc(-n2cc(I)c(=O)[nH]c2=O)nc(-c2ccccc2)n1 2878871 AQRRWKASCGYHSH-UHFFFAOYSA-N 406.183 1.896 0 50 HDAA CN(Cc1cccc(OC[C@H](O)CN2CCOCC2)c1)Cc1n[nH]c2c1CCCC2 11936684 ZZOQMFWALMAQIM-LJQANCHMSA-N 414.550 1.992 0 50 HDAA COC(=O)c1c(OC(C)C)cc(=O)n2c1CCN(C(=O)C1=C(C)OCCO1)CC2 14986910 NPNAEUSAKORNCZ-UHFFFAOYSA-N 406.435 1.085 0 50 HDAA CCS(=O)(=O)N1C[C@H](C(=O)N2CCN(c3ccccc3)CC2)Oc2ccccc21 16624556 NVEFNMWZSHGRJY-HXUWFJFHSA-N 415.515 1.953 0 50 HDAA O=C(OC[C@H](O)CN1CCN(c2ncccn2)CC1)C12CC3CC(CC(C3)C1)C2 23115102 RIVWMYUQOYMQDD-RQJZOYDLSA-N 400.523 1.719 0 50 HDAA CN(C)c1nc(S(C)(=O)=O)nc2c1CCN(C(=O)OCc1ccccc1)CC2 306145225 PVIOTFCZVVYSSJ-UHFFFAOYSA-N 404.492 1.684 0 50 HDAA O=C(c1cccc(S(=O)(=O)N2CCCCC2)c1)N1CCC[C@H](c2nnc(O)o2)C1 328589963 OLUVRYPPVCXMNI-HNNXBMFYSA-N 420.491 1.970 0 50 HDAA CCOC(=O)[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CCN(C(=O)c1cc(C)nn1C)C2 1857692731 REJPJQIXJFNAER-JBYIUTFZSA-N 418.538 1.625 0 50 HDAA COC(=O)[C@H]1C[C@H]2CN(C(=O)CCc3cccnc3)CC(=O)N2[C@H]1c1ccccc1 1857706097 JYZIDLBKWUAPGZ-IPJJNNNSSA-N 407.470 1.988 0 50 HDAA CSCCC(=O)NC[C@H]1[C@H]2CN(C(=O)C(C)(C)N3CCCC3)C[C@]23CC[C@H]1O3 1857725572 CWIAIKDUJOVCAS-BIZBXSGISA-N 409.596 1.736 0 50 HDAA CN(C)c1ccc(C(=O)NC[C@H]2[C@H]3CN(CCn4ccnc4)C[C@]34CC[C@H]2O4)cn1 1857734020 ACLPFVPGLHYOPC-JZJXAQOMSA-N 410.522 1.254 0 50 HDAA O=C(CCc1cn(CCC(F)(F)CO)nn1)NCc1ccc(Cl)c(C(=O)O)c1 1875354254 SFUUXPJELOUVKB-UHFFFAOYSA-N 416.812 1.896 0 50 HDAA O=C1CC[C@H](N2Cc3ccc(-n4cc(CC[C@H]5CCCO5)nn4)cc3C2=O)C(=O)N1 1875356052 SCZCVORSAJAZDR-AEFFLSMTSA-N 409.446 1.140 0 50 HDAA COc1cccnc1C(=O)N[C@@H](C)[C@@H]1CN(C(=O)C2SCCCS2)CCO1 1875359415 CQDOTSISKVCHNU-JSGCOSHPSA-N 411.549 1.632 0 50 HDAA CC[C@@H](C)[C@@H](C(=O)N[C@H]1CCN(c2cc(=O)n(C)c(O)n2)C1)n1cccc1C=O 2325899600 NIXDKJNYWCSAQQ-GLJUWKHASA-N 401.467 1.082 0 50 HDAA COc1cccc(N2C(=O)CN(C(=O)[C@@H]3CC(=O)N(Cc4ccccn4)C3)C[C@H]2C)c1 12151731 XAZGPJWDMNSSMT-IAGOWNOFSA-N 422.485 1.703 0 50 HDAA COc1ccc(S(=O)(=O)NC[C@@H]2CCCN(C(=O)c3snnc3C)C2)cc1 12387625 HCBWHXXFFCCRJF-ZDUSSCGKSA-N 410.521 1.686 0 50 HDAA Cc1nn(C)cc1[C@H](C)NC(=O)c1cc(C(=O)N[C@H](C)c2cn(C)nc2C)n(C)n1 20617472 BZIPLKSJJQJHMR-NWDGAFQWSA-N 412.498 1.486 0 50 HDAA O=C(NCCN1CCNC1=O)c1cc(CN2CCC(Cc3ccccc3)CC2)on1 67934424 QXXAIDDMCCZLEO-UHFFFAOYSA-N 411.506 1.884 0 50 HDAA CCCNC(=O)[C@@H]1CN(S(=O)(=O)c2cnc(NC(C)=O)s2)c2ccccc2O1 225797094 USEOZOCORUKMSR-AWEZNQCLSA-N 424.504 1.584 0 50 HDAA CNS(=O)(=O)c1cccc(C(=O)N2CCN(c3ncnc4sccc34)CC2)c1 483422722 WNQHXZUDIAWBEY-UHFFFAOYSA-N 417.516 1.562 0 50 HDAA O=C(Cc1n[nH]c2ccccc12)N[C@@H]1C2CN3CCN(C2)CC1(c1ccccc1)C3 828005750 OHHITZSNSKAVGS-OVOLAFONSA-N 401.514 1.789 0 50 HDAA CN1C[C@@H](NC(=O)CN2CCOc3ccccc3C2)c2sccc2S1(=O)=O 952970840 BHBZRKKVNQTCFO-CQSZACIVSA-N 407.517 1.434 0 50 HDAA CN(C)S(=O)(=O)c1ccc(N2CCN([C@@H](CO)c3ccc(Cl)cc3)CC2)nc1 1321756996 RVQFKJUDQULGRR-SFHVURJKSA-N 424.954 1.841 0 50 HDAA Cc1cccc(CN2CCCC[C@H]2C(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)c1 1328552559 YERMKJCPXOTFJX-IBGZPJMESA-N 421.501 1.934 0 50 HDAA CC1CCN(C(=O)COc2ccccc2CN2CC[C@]3(CNC(=O)CO3)C2)CC1 1772817890 ZUHSFTJULZIHHF-QFIPXVFZSA-N 401.507 1.415 0 50 HDAA CN(C)C(=O)N1CCN(C(=O)C[C@@H]2CCCN(c3nc4ncccc4o3)C2)CC1 1857733920 FWORIDFKTGMCMQ-HNNXBMFYSA-N 400.483 1.655 0 50 HDAA O=C(COCc1nc2ccccc2[nH]1)N1C[C@@H](O)[C@]2(C1)[C@H](c1ccccc1)[C@H]2CO 2100482615 LZKRKORNBHWQIF-BGACZQCLSA-N 407.470 1.675 0 50 HDAA C[C@](O)(CN1Cc2ccccc2C1=O)C(=O)NCC(=O)Nc1cnc2ccccc2c1 2325745106 TZGXOEQJQLNPCV-QHCPKHFHSA-N 418.453 1.697 0 50 HDAA COc1cccc(CC2(C(=O)N3CCC[C@]4(CCc5c[nH]c(=N)nc54)C3)CNC2)c1 2356147590 DGPVYRZOLYDYKA-QFIPXVFZSA-N 407.518 1.536 0 50 HDAA COCCN=c1[nH]c2cc(C(=O)N3CCC[C@@]4(CCc5c[nH]nc54)C3)ccc2n1C 2356155108 XLRNZUXPCXEVIO-JOCHJYFZSA-N 408.506 1.897 0 50 HDAA O=C(CN1C(=O)c2ccccc2C1=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 789972 OIEXNWAMKQIIIB-UHFFFAOYSA-N 413.455 1.706 0 50 HDAA O=C(C[C@H]1SC(=O)NC1=O)Nc1cccc(NC(=O)C[C@H]2SC(=O)NC2=O)c1 1857826 VVJGPLGLUAQUKZ-NXEZZACHSA-N 422.444 1.047 0 50 HDAA C[C@@H]1CCCCN1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1CC(=O)c1ccccc1 6166485 SLZQURUFAZMRIP-OAHLLOKOSA-N 409.490 1.691 0 50 HDAA Cn1c(=O)c2c(nc(NC[C@H]3CCCO3)n2Cc2ccc(Cl)cc2)n(C)c1=O 12342505 ZTQOBXZNNZSSIN-CQSZACIVSA-N 403.870 1.726 0 50 HDAA COc1ccc(/C=C/CN2CCN(CCn3cc(C(=O)NC(C)C)nn3)CC2)cc1 19839707 MYCXFYWNZDXJGI-SNAWJCMRSA-N 412.538 1.756 0 50 HDAA COc1cccc(N(CC(=O)N2CCN(Cc3ccccc3)CC2)S(C)(=O)=O)c1 20000069 ZKPATXHOCIEYCL-UHFFFAOYSA-N 417.531 1.806 0 50 HDAA CN1CCC(N2CCN(Cc3cc(F)ccc3-n3cccn3)C[C@@H]2CCO)CC1 22919107 ZGIFCFNRGNFRTF-NRFANRHFSA-N 401.530 1.974 0 50 HDAA COc1cccc(CN2C[C@H](C(=O)N3CCN(c4ncccn4)CC3)CCC2=O)c1 67804141 YSXVPEQXCSSYNN-GOSISDBHSA-N 409.490 1.573 0 50 HDAA C[C@H](OC(=O)CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)C(=O)Nc1ccc(C(N)=O)cc1 240626705 HIRYTXWTAKABAU-APHBMKBZSA-N 415.446 1.221 0 50 HDAA C[C@@H]1C[C@H]2CCN1C(=O)CCCc1cn(nn1)CCCOc1cccnc1C(=O)N2 1704342821 QNMZJBQHTVCRGS-HZPDHXFCSA-N 412.494 1.588 0 50 HDAA Cc1cncc(C(=O)N[C@]2(C)CCOC3(CCN(c4ccnc(C)n4)CC3)[C@H]2O)c1 1772707222 WYCLQKGCTQPXKU-LEWJYISDSA-N 411.506 1.797 0 50 HDAA O=C(O)c1ccc(N2CCC3(CCc4c(O)nc(N5CCOCC5)nc43)CC2)nc1 1857712259 NORJTFQBBKEOIP-UHFFFAOYSA-N 411.462 1.596 0 50 HDAA Cn1cc([C@H]2[C@H](CN3CCCCC3)OCCN2C(=O)c2c(O)cccc2O)cn1 1857739019 IWQWTNIGROHHEW-ICSRJNTNSA-N 400.479 1.900 0 50 HDAA Cc1ccn([C@@H](C)C(=O)N2CCC[C@H]2Cn2cc(-c3cnc(C(=O)O)nc3)nn2)n1 1875355108 AIPTWAKQGKNXIP-ZFWWWQNUSA-N 410.438 1.190 0 50 HDAA Cc1oc(-c2ccccc2)nc1CC(=O)N[C@H]1COC[C@H]1CS(=O)(=O)N(C)C 1940197251 CLKDICMIWBYQAG-RDJZCZTQSA-N 407.492 1.215 0 50 HDAA Cc1c(NC(=O)CN2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@H]3C2=O)c(=O)n(-c2ccccc2)n1C 2940291 LMYFLDVHXZRLDE-PURYLZLUSA-N 406.442 1.230 0 50 HDAA CC(C)CN1C[C@@H](OCc2ccccc2)CN(C(=O)C2=NNC(=O)CC2)CC1=O 14754168 NRWRJCOOQURRLW-QGZVFWFLSA-N 400.479 1.165 0 50 HDAA CCN1CCC(NC(=S)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 17089354 ZIPVPDZXKVCQBJ-UHFFFAOYSA-N 412.581 1.478 0 50 HDAA COc1ccc(N2C[C@@H](C(=O)N3CCN(C(=O)c4ccncc4)CC3)CC2=O)cc1 20718764 LBBYWPATRGDCNX-KRWDZBQOSA-N 408.458 1.428 0 50 HDAA COc1ccc(CN(C)CCN2CCOCC2)cc1OC[C@H](O)CN1CCCCC1 20916255 CARHYAINAUSIRO-OAQYLSRUSA-N 421.582 1.685 0 50 HDAA CCc1nc(C)cc(N2CCC(N3CCC[C@H](C(=O)N4CCOCC4)C3)CC2)n1 71749741 ZCTDXFJAKNLBTD-SFHVURJKSA-N 401.555 1.887 0 50 HDAA COc1nccnc1N1CCC(N2CCC[C@H](C(=O)NCc3cccnc3)C2)CC1 71759982 MKWSLPMRNJTZST-SFHVURJKSA-N 410.522 1.877 0 50 HDAA COc1cccc(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N(C)Cc3cc(C)on3)[C@@H]4C2=O)c1 77555271 POCAPMBOZYUNJL-VAWZGJIGSA-N 423.469 1.932 0 50 HDAA Nc1nc(=O)[nH]cc1N1CCN(C(=O)[C@H]2C[C@@H]2c2ccc(C(F)(F)F)cc2)CC1 225578647 PBBDIKNBIJISNG-KGLIPLIRSA-N 407.396 1.823 0 50 HDAA CCOCCN1CCN(c2cc(N3CCN(CCOCC)[C@H](C)C3)ncn2)C[C@H]1C 252510851 CGPBELXXEAEBJR-WOJBJXKFSA-N 420.602 1.571 0 50 HDAA Cc1c(C(=O)NC[C@@H]2CN(CC3CCN(CC4CC4)CC3)C(=O)CO2)ccn1C 299774434 CYMSAECUSSTXNC-LJQANCHMSA-N 402.539 1.413 0 50 HDAA O=C(CCc1cccnc1)NC[C@@H]1CN(C2CCN(C3CCC3)CC2)C(=O)CO1 426633942 NKVGPYQVKIWSJB-HXUWFJFHSA-N 400.523 1.375 0 50 HDAA Cc1ccc(-c2cc(C(=O)N3CCCN(S(=O)(=O)N4CCCCC4)CC3)n[nH]2)o1 952981501 XCMKMEOEVUJYGQ-UHFFFAOYSA-N 421.523 1.857 0 50 HDAA COc1ccc([C@@H]2[C@@H](CO)OCCN2C(=O)CSc2nccc(C)n2)cc1OC 1529111269 UTWMKZBOCGQFBV-IEBWSBKVSA-N 419.503 1.855 0 50 HDAA Nc1nc2c(s1)CN(C(=O)[C@H]1CCc3sc(N4CCOCC4)nc3C1)CC2 1772819681 ZIJXSHYFXDUHOR-NSHDSACASA-N 405.549 1.708 0 50 HDAA Cc1nc(O)c2c(n1)[C@@]1(CCCN(C(=O)c3ccc(S(N)(=O)=O)cc3)C1)CC2 1857667284 YDPRYHSXNUDVNX-IBGZPJMESA-N 402.476 1.258 0 50 HDAA CCc1nc[nH]c(=NC[C@H]2CN(CC3CCN(CC4CC4)CC3)C(=O)CO2)c1F 1857672370 AODWFBKAGXTUFW-KRWDZBQOSA-N 405.518 1.361 0 50 HDAA COc1cccc(C(=O)N2CCC(C(=O)N3CCO[C@@H]4C[C@H](CO)C[C@@H]43)CC2)c1 1857711249 PSKBEJKEMTXWMD-UIAACRFSSA-N 402.491 1.546 0 50 HDAA Cc1ccc(OCCN)c(C(=O)N2CCO[C@@H](CN(C)C)[C@@H]2c2cnn(C)c2)c1 1857713201 KVZFFRLUSBYXNU-PMACEKPBSA-N 401.511 1.210 0 50 HDAA COC(=O)[C@H]1C[C@H]2CN(C(=O)c3c(Cl)cnn3C)CC(=O)N2[C@H]1c1ccccc1 1875246325 LQYJLQMMKLJIRI-ZQIUZPCESA-N 416.865 1.661 0 50 HDAA O=C(O)C[C@H](Cc1cn(-c2ccc3[nH]ccc3c2)nn1)NC(=O)[C@@H]1CCCCNC1=O 1875357014 XZSNHMNKPKOQBL-WMLDXEAASA-N 424.461 1.167 0 50 HDAA COc1ccc([C@@H]2[C@@H](C(=O)NCCc3nccs3)OCC(=O)N2C2CC2)cc1 2356148755 QCQWNFVENBDUML-MOPGFXCFSA-N 401.488 1.942 0 50 HDAA COCCCC1CCN(C(=O)[C@H]2CCC(=O)N(CCCN3CCCC3=O)C2)CC1 11663058 CPVJJIYDVUEFMV-IBGZPJMESA-N 407.555 1.903 0 50 HDAA COCCNC(=O)c1cn(C2CCN(Cc3ccc(OC)c(C)c3OC)CC2)nn1 12245835 VMAAZRFDKDGBRR-UHFFFAOYSA-N 417.510 1.817 0 50 HDAA CN1CCNC(=O)[C@@H]1CC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 14954023 MAVNTVUVMZJKIZ-NRFANRHFSA-N 406.530 1.741 0 50 HDAA COCCNC(=O)c1cn(C2CCN(C(=O)[C@H](C)Oc3ccccc3)CC2)nn1 14999834 MFGXAWOIVVSYOC-HNNXBMFYSA-N 401.467 1.285 0 50 HDAA CCOC(=O)C(=CC(=CN(C)C)C=C(C(=O)OCC)C(=O)OCC)C(=O)OCC 19338296 VZBWMWGJZSLSNY-UHFFFAOYSA-N 411.451 1.537 0 50 HDAA CN1CCC2(CCCN(S(=O)(=O)c3ccc(S(C)(=O)=O)cc3)CC2)CC1 67872244 FSELNZYJDCNRFK-UHFFFAOYSA-N 400.566 1.977 0 50 HDAA O=C(c1cccc(O)c1)N1CCC(N2CCC[C@@H](C(=O)N3CCOCC3)C2)CC1 71746575 OTULCGOWLGQGKL-GOSISDBHSA-N 401.507 1.568 0 50 HDAA CCC(CC)CN1C[C@]23C=C[C@H](O2)[C@@H](C(=O)N2CCN(C(=O)OC)CC2)[C@H]3C1=O 77426832 BMKBDQUHFRPINL-DLRJPAPCSA-N 405.495 1.115 0 50 HDAA CCC(CC)CN1C[C@]23C=C[C@H](O2)[C@@H](C(=O)N(C)CCn2ccnc2C)[C@H]3C1=O 77469802 VFUDGDFLBPRRIT-WEMPKCCASA-N 400.523 1.868 0 50 HDAA COc1ccccc1-c1noc(CNC(=O)C[C@H]2NC(=O)c3ccccc3NC2=O)n1 886025375 KMPHRLMIOLHIDE-OAHLLOKOSA-N 421.413 1.502 0 50 HDAA Cc1sc(-c2ccno2)cc1S(=O)(=O)N1CCC[C@H]1C(=O)N1CCOCC1 1506402765 JPYBXIKOVZETSQ-ZDUSSCGKSA-N 411.505 1.723 0 50 HDAA COc1cnc(N2CCC3(CC2)OCC[C@@](C)(NC(=O)c2ccncc2)[C@@H]3O)nc1 1772712317 OJGJEOSBBLDUAG-AZUAARDMSA-N 413.478 1.189 0 50 HDAA CSCC(=O)N1C[C@H]2CN(Cc3cc(C(N)=O)oc3C(C)(C)C)C[C@]2(CO)C1 1772712826 RBHIJKKPMVAUTJ-JLTOFOAXSA-N 409.552 1.292 0 50 HDAA O=C(CN1CCOc2ccccc2C1)N1CCO[C@@]2(CCN(Cc3cnc[nH]3)C2)C1 1857706131 BAIXQFVUXJYYOZ-JOCHJYFZSA-N 411.506 1.108 0 50 HDAA CC(=O)N1CCCc2cc(S(=O)(=O)N[C@@H]3C[C@H]4CO[C@H](C(C)C)CN4C3)ccc21 1857730164 KXRDCJVJCDSRSN-LQWHRVPQSA-N 421.563 1.762 0 50 HDAA Cc1ccc(=Nc2cccc(C(=O)N3CC4(C3)NC(=O)c3ccccc3N4)c2)[nH]n1 1875317806 JDTLCTZETVETNR-UHFFFAOYSA-N 400.442 1.958 0 50 HDAA Cc1cncc(C(=O)NC[C@@H]2CC3(CCOCC3)CN2C(=O)c2ccc(O)nn2)c1 1875359182 XHDREQYIIQWDIB-INIZCTEOSA-N 411.462 1.327 0 50 HDAA O=C([C@H]1OCC(=O)N(C2CC2)[C@@H]1c1cccnc1)N1CCC(Cn2ccnc2)CC1 2356165841 QNPZFJWNFBOUTP-RTWAWAEBSA-N 409.490 1.648 0 50 HDAA COc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 893072 XCMLTDXQWRLRMR-UHFFFAOYSA-N 410.517 1.699 0 50 HDAA COC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)CN(C)C(=O)OCc1ccccc1 4761198 DEWDNJPANGHPEA-GOSISDBHSA-N 400.431 1.861 0 50 HDAA COc1cccc(CN(C)Cc2cc(C)[nH]n2)c1OC[C@H](O)CN1CCOCC1 39445305 ADIPPZXZJLRTEK-LJQANCHMSA-N 404.511 1.431 0 50 HDAA Cc1nc(N2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)cc(-n2ccnc2)n1 67629961 MZJZCQQVFMIFOK-UHFFFAOYSA-N 420.445 1.760 0 50 HDAA Cc1noc(CN(C)C(=O)[C@@H]2[C@@H]3C=C[C@@]4(CN(c5ccc(F)cc5C)C(=O)[C@@H]24)O3)n1 77379018 LISVHAWMTBTLBE-VZRKHXGSSA-N 412.421 1.771 0 50 HDAA Cn1c(=O)[nH]c(=O)c2c1nc(Oc1ccccc1)n2C[C@@H](O)COc1ccccc1 170624342 LSPHOOOTDHBVCU-CQSZACIVSA-N 408.414 1.656 0 50 HDAA O=C(CC[C@H]1N=C(O)N(Cc2ccccc2)C1=O)NCCCc1nnc2ccccn12 253394249 AJOSQRNLSCRSJW-QGZVFWFLSA-N 420.473 1.883 0 50 HDAA NC(=O)c1noc(CN2CC[C@@]3(CCCN(Cc4ccc(F)c(F)c4)C3=O)C2)n1 426410716 ONZVIONZPYPFQI-IBGZPJMESA-N 405.405 1.461 0 50 HDAA O=C(NC12C[C@@H]3C[C@H](C1)CC(n1ncnn1)(C3)C2)[C@H]1CC(=O)N(c2cccc(O)c2)C1 670465117 RAHOYLCSZAFYMH-FJWIDWSQSA-N 422.489 1.596 0 50 HDAA O=C(NCc1noc(-c2cccs2)n1)C1CCN([C@H]2CCS(=O)(=O)C2)CC1 827758395 ZAOKVUVCWFDLRX-ZDUSSCGKSA-N 410.521 1.313 0 50 HDAA CSCC(=O)N1C[C@@H]2CN(C(=O)Cc3csc(C)n3)C[C@@]2(CCC(=O)O)C1 1772808829 CECFNAUYOSIIER-UGSOOPFHSA-N 411.549 1.509 0 50 HDAA Cn1cnc(C(=O)N2CCC[C@@H](c3nc(C4CCOCC4)nn3CCO)CC2)c1 1772809048 KSDJCZDTHGOAFF-MRXNPFEDSA-N 402.499 1.308 0 50 HDAA O=C(CCc1ccncc1)NC[C@@H]1CN(CC2CCN(CC3CC3)CC2)C(=O)CO1 1857687320 QGCQHXGXZUMEHK-OAQYLSRUSA-N 414.550 1.480 0 50 HDAA COCc1cc(CNC(=O)[C@]23COC[C@H]2CN(Cc2nc(C)c(C)s2)C3)[nH]n1 1857692600 MCGBFCDHJZEPNP-AUUYWEPGSA-N 405.524 1.394 0 50 HDAA O=C(NC[C@@H]1CC2(CCNCC2)C(=O)O1)c1cn2cccc(Br)c2n1 2325853892 GFISQKCVCVJCNU-NSHDSACASA-N 407.268 1.512 0 50 HDAA CN(c1cccc(NC(=O)c2ccccc2N(C)S(C)(=O)=O)c1)S(C)(=O)=O 2852910 CFLPQPSKLGUHKT-UHFFFAOYSA-N 411.505 1.731 0 50 HDAA Nc1c(I)cc(C(=O)O)c(O)c1I 4558890 FSJFOJCPPGAWML-UHFFFAOYSA-N 404.929 1.882 0 50 HDAA COc1ccccc1OCC(=O)NC[C@@H]1CCCN(C(=O)CN2CCCC2=O)C1 11765614 SBDCXDWXTMMYNQ-INIZCTEOSA-N 403.479 1.051 0 50 HDAA CCCN1CCC(NCc2ccc(OC[C@@H](O)CN3CCN(C)CC3)cc2)CC1 19223439 IEVGWODKFUYMMU-QFIPXVFZSA-N 404.599 1.638 0 50 HDAA CCS(=O)(=O)c1ncc(CN2CCCC[C@H]2CCn2ccnc2)n1CCOC 19851468 QLUKQWOQTAPTCY-KRWDZBQOSA-N 409.556 1.964 0 50 HDAA CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)NCCN2CCOCC2)cc1 20653883 OCGWCRUZVKOFOD-UHFFFAOYSA-N 417.531 1.715 0 50 HDAA CN(CC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)S(C)(=O)=O 22606606 IZBLEGQCBCBBCE-UHFFFAOYSA-N 401.532 1.812 0 50 HDAA CN[C@@H](C)C(=O)N1CCc2ccc(S(=O)(=O)N(C)Cc3nccs3)cc2C1 77407633 OPEPTADMPUDXNX-ZDUSSCGKSA-N 408.549 1.456 0 50 HDAA Cc1noc(C)c1C(=O)NC[C@@H]1CN(CC2CCN(CC3CC3)CC2)C(=O)CO1 299757323 LPGUKUQFZDOYFF-GOSISDBHSA-N 404.511 1.371 0 50 HDAA O=C(NS(=O)(=O)c1ccc2c(c1)CCCO2)C1CCN(c2cnccn2)CC1 773898663 RWHORHCYKLPEOV-UHFFFAOYSA-N 402.476 1.523 0 50 HDAA COc1cccc(C(=O)N2CCN(C(=O)[C@@H]3CC(=O)N(Cc4ccncc4)C3)CC2)c1 824767720 KFBMNEKLUQNGOL-LJQANCHMSA-N 422.485 1.423 0 50 HDAA Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1NC(=O)c1ccc2c(c1)OCC(=O)N2 1529112320 KSYYXKGTISCNMK-ZDUSSCGKSA-N 404.448 1.443 0 50 HDAA CCCS(=O)(=O)N1CCO[C@]2(CCN(C(=O)c3ccc4c(c3)CCCO4)C2)C1 1857688686 WQRZFPMPQWLABB-FQEVSTJZSA-N 408.520 1.668 0 50 HDAA COc1ccc([C@@H]2[C@H](C(=O)N(C)C)C[C@@H]3CN(Cc4cccnc4)CC(=O)N23)cc1 1857691141 ZWESFIQXGKMJNO-SYYKKAFVSA-N 408.502 1.952 0 50 HDAA COC[C@H](NC(=O)C(=O)N(CCO)CCc1ccccc1)c1cc(F)c(F)c(F)c1 1875258881 IXDXKKGCRKBGNG-SFHVURJKSA-N 424.419 1.971 0 50 HDAA CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)Nc2ccc3c(=O)n(C)cnc3c2)s1 2325826068 NOJLTIGQCHJJFB-JTQLQIEISA-N 406.489 1.993 0 50 HDAA O=C(NC[C@H](CC1CCCC1)C(=O)O)C1CCN(c2cncc3nnnn23)CC1 2325852176 VEZOSZMMCJGYDA-HNNXBMFYSA-N 401.471 1.133 0 50 HDAA CCN1C[C@@H](C(=O)N2CCCC[C@H](NC(=O)c3c(F)ccc(N)c3F)C2)CCC1=O 2325864773 ZPMCDMYICUGZJG-KBPBESRZSA-N 422.476 1.916 0 50 HDAA COC[C@H]1CCCN1S(=O)(=O)N1CCC2(CC1)OCCc1cccc(OC)c12 2356159712 NQRVFSLTBCZCRE-QGZVFWFLSA-N 410.536 1.915 0 50 HDAA CN(c1ccc(C(=O)N2CCC[C@@]23CCCN(C2CC2)C3=O)cc1)S(C)(=O)=O 2356163148 QOBVVXJUBQAZET-HXUWFJFHSA-N 405.520 1.842 0 50 HDAA O=C(NCCCn1cc(C(=O)N2CCOCC2)nn1)c1cccc(C(F)(F)F)c1 12217729 PPBNRCKMHCAHGM-UHFFFAOYSA-N 411.384 1.589 0 50 HDAA O=S(=O)(c1ccc(NC(=S)NCCCN2CCOCC2)cc1)N1CCCC1 20478593 WUYSZESOJHXMCR-UHFFFAOYSA-N 412.581 1.480 0 50 HDAA Cc1nc(N2CCOCC2)cc(N2CCN(C(=O)c3c(F)cccc3F)CC2)n1 67613906 UVXPOVKBZXLWGW-UHFFFAOYSA-N 403.433 1.862 0 50 HDAA NC(=O)CCNC(=O)c1cn2cc(-c3ccccc3Cl)n(CC3CC3)c(=O)c2n1 72411424 DGPQXGWLZVWNBL-UHFFFAOYSA-N 413.865 1.832 0 50 HDAA CCN1CCN(CCCN2CC3(CCN(c4nccc(NC)n4)CC3)OC2=O)CC1 77338032 MBDLAVGNVSRTOK-UHFFFAOYSA-N 417.558 1.337 0 50 HDAA Cc1nn(-c2ccccc2)c(C)c1CC(=O)N1CC[C@H](N2CCN(C)CC2)[C@@H](O)C1 207474490 FJVMDICBBFFNPQ-VXKWHMMOSA-N 411.550 1.241 0 50 HDAA O=C(Cc1csc(-c2ccc3c(c2)OCO3)n1)N1CCO[C@H](c2nn[nH]n2)C1 732089301 GCJSPEQIXVIQDY-AWEZNQCLSA-N 400.420 1.195 0 50 HDAA C[C@H]1CCCN(C(=O)C2CC3(C2)C[C@@H](NC(=O)c2ccon2)CCS3(=O)=O)CC1 952876168 DLLDILYSLLFQAY-DQLYFJKKSA-N 423.535 1.779 0 50 HDAA FC(F)(F)[C@@]1(c2nc(-c3ccncc3)no2)CCN(c2nccn3nnnc23)C1 952894650 SVUCLTXTYLOHFQ-HNNXBMFYSA-N 403.328 1.675 0 50 HDAA CS(=O)(=O)NCCC(=O)N1CCC[C@]2(CCc3cnc(-c4ccccc4)nc32)C1 1704301254 REVOUGPTQRGZKX-NRFANRHFSA-N 414.531 1.889 0 50 HDAA Nc1ncc(CN2C[C@@H]3CN(C(=O)Cc4c(F)cccc4Cl)C[C@]3(CO)C2)cn1 1772807480 NZROLODJQLKIAN-VLIAUNLRSA-N 419.888 1.347 0 50 HDAA O=S(=O)(c1cn[nH]c1)N1CCC[C@]2(CCc3c(O)nc(-c4cccnc4)nc32)C1 1857687382 VGIXPHZFZNKIJR-IBGZPJMESA-N 412.475 1.636 0 50 HDAA Cc1cc(C)n(CCCN2C(=O)C[C@H]3[C@@H]2CCN3c2nc(=N)[nH]c(C)c2Cl)n1 1857694881 LAANXQCCDSSSMA-GJZGRUSLSA-N 403.918 1.934 0 50 HDAA CN=c1nc(C(=O)N2CCCC2)c2c([nH]1)CCN(c1ncnc3ccc(C)nc13)C2 1857708477 WHIVPTCYQKHGLF-UHFFFAOYSA-N 404.478 1.386 0 50 HDAA O=C([C@H]1CC[C@@H](O)CC1)N1CCO[C@@H](CN2CCC(O)CC2)[C@@H]1c1ccccc1 1857718188 CDROWLBDYMMDLB-MXNKGDRCSA-N 402.535 1.963 0 50 HDAA O=C(NCC1(CO)CCC1)[C@H]1CC(=O)N(c2nnc(Cc3ccccc3)s2)C1 1857736850 YTEMKRBVWZJHRA-HNNXBMFYSA-N 400.504 1.761 0 50 HDAA Cc1ccc(C(=O)OCCOCCn2cncn2)cc1N1C(=O)[C@H]2CC=CC[C@@H]2C1=O 1875258309 ZCAJJLHMOPABCJ-ROUUACIJSA-N 424.457 1.916 0 50 HDAA CC(C)N(CCN(C)c1ncnc2scnc12)C(=O)CC[C@@H]1CC[C@H](C(N)=O)O1 1875333663 GPNIQJMDCQHGCO-UONOGXRCSA-N 420.539 1.573 0 50 HDAA CCc1ncc(S(=O)(=O)NCCn2c(O)nc3ccccc3c2=O)n1CC1CC1 1875346290 ZFPSVXSWRSIGJC-UHFFFAOYSA-N 417.491 1.250 0 50 HDAA Cc1nscc1-c1cn(-c2ccc3c(c2)C(=O)N([C@@H]2CCC(=O)NC2=O)C3)nn1 1875356766 WVXQNINSPXYQKV-MRXNPFEDSA-N 408.443 1.460 0 50 HDAA O=C(N[C@@H]1C[C@H]1NC(=O)c1cn([C@@H]2CCOC2)cn1)c1cccc(-n2cccc2)c1 2325872145 KDSYBPICBHXZFR-GUDVDZBRSA-N 405.458 1.936 0 50 HDAA CCOC(=O)N1CCN(C(=O)[C@H](C)N(c2cc(C)cc(C)c2)S(C)(=O)=O)CC1 2884729 KCIFVMHPPCEZCC-INIZCTEOSA-N 411.524 1.759 0 50 HDAA CS(=O)(=O)N(CC(=O)N1CCOCC1)c1ccc(OCc2ccccc2)cc1 5028155 QLAOVZMSZMFSSY-UHFFFAOYSA-N 404.488 1.890 0 50 HDAA CCOC(=O)N1CCN(C(=O)Cn2nc(-c3cccc(OC)c3)ccc2=O)CC1 5400190 LQMACOZKFYSBFR-UHFFFAOYSA-N 400.435 1.220 0 50 HDAA COc1cccc(CNC(=O)CCS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)c1 7003144 XOBPSWPBQQPLBL-UHFFFAOYSA-N 404.444 1.620 0 50 HDAA CC[C@H](C)[C@@H]1NC(=O)[C@H]2CN(S(=O)(=O)c3cccc4ccccc34)CCN2C1=O 14754959 CKDMOBHYZDVHKH-YJLNNSPDSA-N 415.515 1.586 0 50 HDAA COCCN(C)CCN1CC2(CCN(C(=O)c3ncc(F)cc3F)CC2)OC1=O 77470017 NFGLYZQRNYCNHU-UHFFFAOYSA-N 412.437 1.365 0 50 HDAA CS(=O)(=O)c1cnc(N2CCN(c3ccccc3)CC2)nc1[C@H]1CCCNC1 77472467 ADJDQQATCBSZOE-INIZCTEOSA-N 401.536 1.674 0 50 HDAA Cc1nnc(CN(C)C(=O)[C@H]2[C@@H]3C=C[C@@]4(CN(c5ccc(C)c(C)c5)C(=O)[C@H]24)O3)o1 77535278 PUSUSNXRRREDMT-FUOQNJDISA-N 408.458 1.940 0 50 HDAA COc1cc([C@H](c2n(C)c(C)c(C)[n+]2[O-])C2C(=O)OC(C)(C)OC2=O)ccc1O 263588575 VWMFOIFWXKIXHF-HNNXBMFYSA-N 404.419 1.574 0 50 HDAA O=C(Cn1nc(-c2ccccc2)c2ccccc2c1=O)N1CCN2C(=O)OC[C@H]2C1 426548545 QGZUNYPRSRKGFE-MRXNPFEDSA-N 404.426 1.727 0 50 HDAA Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(C(=O)c3cccc(Cl)c3)C[C@@]2(CO)C1 1772711201 RMAIXOMTJGTEOJ-KKSFZXQISA-N 414.893 1.954 0 50 HDAA O=C(NC[C@@H]1CN(CC2CCN(CC3CC3)CC2)C(=O)CO1)c1cc(O)ccc1F 1857675511 BJBAEAVHMKERSG-GOSISDBHSA-N 419.497 1.611 0 50 HDAA O=C(c1ccc[nH]1)N1CC[C@@H]2C[C@@H](N3CCOCC3)CC[C@@]2(C(=O)NC2CC2)C1 1857701849 RWLSTNZDENWADD-TVTNDZMWSA-N 400.523 1.627 0 50 HDAA C[C@H](C(=O)O)n1cc(CSCCNC(=O)c2cc(Br)ccn2)nn1 1875355322 HAVFUGRUZICGBO-SECBINFHSA-N 414.285 1.744 0 50 HDAA C=CC(=O)N[C@@H]1CN(C(=O)Cc2nnn(C(C)(C)C)n2)C[C@H]1c1ccccc1F 1875383066 FIXZXYISGAHBOD-GOEBONIOSA-N 400.458 1.407 0 50 HDAA CC(CNC(=O)c1cnc(OC(C)C)cn1)CNC(=O)c1cnc(OC(C)C)cn1 2325731692 VNSPPZKPCLDQRC-UHFFFAOYSA-N 416.482 1.637 0 50 HDAA CN(C)c1ncc2c(n1)[C@]1(CCCN(c3cc(N4CCC(O)CC4)ncn3)C1)CC2 2356154543 ZNTOSICAKLVTMW-JOCHJYFZSA-N 409.538 1.778 0 50 HDAA Cn1nc2n(c1=O)C[C@@H](C(=O)N1CCC3(CC1)OCCc1c3[nH]c3ccccc13)CC2 2356157958 UEUIRRMGJBPSGY-HNNXBMFYSA-N 421.501 1.716 0 50 HDAA Cc1cc(C)c(S(=O)(=O)N2CCN(C(=O)[C@H](C)Cn3cncn3)CC2)c(C)c1 4988396 WDGGNPLCUXOREK-QGZVFWFLSA-N 405.524 1.373 0 50 HDAA COc1ccc(CNC(=O)CN(c2cc(OC)ccc2OC)S(C)(=O)=O)cc1 5744619 AIQMPJUICBIGDM-UHFFFAOYSA-N 408.476 1.795 0 50 HDAA CC(=O)OC[C@H]1O[C@@H](Oc2ccccc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 8648684 HPKPFIHCMIKXMU-OUUBHVDSSA-N 424.402 1.149 0 50 HDAA biogenic O=C(NCCN1CCC[C@@H](c2ccccc2)C1)c1cn(CCN2CCOCC2)nn1 11753410 HBFZDMHYVJEGOB-HXUWFJFHSA-N 412.538 1.220 0 50 HDAA COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NCCc2cccnc2)c(OC)c1 12320471 XSPMIHPWKPJPIY-IBGZPJMESA-N 412.490 1.148 0 50 HDAA O=C(c1ccc(Br)o1)N1CCN(c2cc(-n3cccn3)ncn2)CC1 23144329 GHQBSSJAAILRAC-UHFFFAOYSA-N 403.240 1.980 0 50 HDAA COc1ccc(CNC(=O)c2coc(CN3CCN(c4ncccn4)CC3)n2)cc1 55060630 TVKAHIMYGBVILU-UHFFFAOYSA-N 408.462 1.725 0 50 HDAA COCCn1cnc2ccc(NC(=O)[C@@H]3CCCN(c4ncccn4)C3)cc2c1=O 218204522 ROAUMLPMUOKLET-OAHLLOKOSA-N 408.462 1.688 0 50 HDAA COc1cc([C@@H]2c3cc4c(cc3[C@H](O)[C@@H](CO)[C@H]2CO)OCO4)cc(OC)c1OC 263598119 HNOIIHCYJKCZRK-CALQCPNCSA-N 418.442 1.837 0 50 HDAA biogenic,in-vitro O=c1cc(N2CCC(O)CC2)cnn1[C@H]1CCCN(Cc2cccc3c2OCO3)C1 328608539 ZLJLJSIIHDOJKW-KRWDZBQOSA-N 412.490 1.770 0 50 HDAA O=C(CN1CC[C@@]2(CCCN(Cc3ccc(F)c(F)c3)C2=O)C1)N1CCOCC1 426656973 PYSHAEZWNFEYPC-NRFANRHFSA-N 407.461 1.638 0 50 HDAA CN1CCC2(CCN(C(=O)[C@H]3CCCN3S(=O)(=O)c3cccs3)CC2)C1=O 445254591 ABDXTEZHBGSIOE-CQSZACIVSA-N 411.549 1.372 0 50 HDAA O=C(Nc1cccc(-n2ccnn2)c1)c1cccc(CN2CCS(=O)(=O)CC2)c1 489211178 CIZNTRKYPLUIGV-UHFFFAOYSA-N 411.487 1.750 0 50 HDAA O=C1CCCc2cc(C(=O)NS(=O)(=O)c3ccc4c(c3)CCC(=O)N4)ccc2N1 916817720 JOXBJQRBWYZOTQ-UHFFFAOYSA-N 413.455 1.965 0 50 HDAA C[C@]1(c2cccc(CNC(=O)[C@@H]3CC(c4cccc(F)c4)=NO3)c2)NC(=O)NC1=O 1318283774 ABSCZNRNSBLNTB-LAUBAEHRSA-N 410.405 1.690 0 50 HDAA COc1ccc([C@@H]2[C@@H](CO)OCCN2C(=O)c2n[nH]c3c2CCCC3)cc1OC 1529162199 YBSARQKFQFPXOY-UYAOXDASSA-N 401.463 1.880 0 50 HDAA CO[C@@H]1CCC[C@]12CCCN(S(=O)(=O)c1ccc3nc(O)n(C)c(=O)c3c1)C2 1704337844 FFSTXKPSGZKFMH-VQIMIIECSA-N 407.492 1.609 0 50 HDAA CC(C)C[C@@H]1[C@H](C(=O)N2CCC(F)(F)CC2)C[C@@H]2CN(CCCO)CC(=O)N21 1857687380 VDOQRRFZUBSJSJ-BRWVUGGUSA-N 401.498 1.574 0 50 HDAA COC(=O)[C@H]1C[C@H]2CN(C(=O)CN(C)C3CCCC3)CC(=O)N2[C@H]1c1ccccc1 1857698931 NZXKYLGVFDDPJC-IPJJNNNSSA-N 413.518 1.834 0 50 HDAA COc1ccc(CNC(=O)c2ccc(-n3cncn3)c(N)c2)cc1CN1CCOCC1 1875349770 MEOSUGAMVNTOAB-UHFFFAOYSA-N 422.489 1.620 0 50 HDAA CC(C)(CNC(=O)C[C@@](C)(O)C(F)(F)F)CNC(=O)C[C@@](C)(O)C(F)(F)F 2325726784 ZDDSBPLJCVLGRR-CHWSQXEVSA-N 410.355 1.652 0 50 HDAA COC(=O)[C@H](Cc1cnn(C)c1C)NC(=O)C[C@H]1C(=O)Nc2ccc(Cl)cc21 2325851373 YDMAYMMDZLCWOV-ZBFHGGJFSA-N 404.854 1.708 0 50 HDAA Cc1cccc(C)c1C(=O)NCc1ccc2c(c1)C(=O)N([C@@H]1CCC(=O)NC1=O)C2 2325886956 PASRIHVEZLAROY-GOSISDBHSA-N 405.454 1.994 0 50 HDAA COCCn1cnnc1[C@H](C)NC(=O)c1cc2c(s1)CCOC21CCNCC1 2356143545 MHSNNWIQXCSRMA-ZDUSSCGKSA-N 405.524 1.628 0 50 HDAA COc1cc2c(cc1OC)C1(CCN(CC(=O)NC[C@H]3CCCO3)CC1)OCC2 2356144068 IKSQWMKDRPIWNM-QGZVFWFLSA-N 404.507 1.863 0 50 HDAA COC(=O)[C@@H](C)Sc1nc2c(c(=O)[nH]c(=O)n2C)n1CCCc1ccccc1 637613 LYRUSFDONVWEBH-GFCCVEGCSA-N 402.476 1.710 0 50 HDAA COc1ccc(N(CC(=O)Nc2ccc3c(c2)OCO3)S(C)(=O)=O)c(OC)c1 2979611 HVPNPNQQPGYZCU-UHFFFAOYSA-N 408.432 1.837 0 50 HDAA CCOC(=O)c1ccc(COC(=O)CNC(=O)CNC(=O)c2ccc(OC)cc2)o1 4196155 UCMHWLGXLQFWOB-UHFFFAOYSA-N 418.402 1.054 0 50 HDAA COc1ccc(N2C[C@H](C(=O)NCc3nnnn3-c3ccc(C)c(C)c3)CC2=O)cc1 8831343 ICEKBOATZRYOPZ-MRXNPFEDSA-N 420.473 1.957 0 50 HDAA O=C(N[C@H]1C[C@H]2C(=O)N[C@@H](COCc3ccccc3)C(=O)N2C1)c1ccc(F)cc1 14733804 HTGJSEHRSBHGDM-FHWLQOOXSA-N 411.433 1.240 0 50 HDAA CCOC(=O)c1c(NC(=O)CN(C)Cc2c(C)nn(C)c2C)sc(C(N)=O)c1C 17092752 PNWPZOQVMQBOOO-UHFFFAOYSA-N 421.523 1.753 0 50 HDAA Cc1ccc(CNC(=O)c2nn(C)c3c2C[C@H](NCCN2CCOCC2)CC3)o1 20406473 GOIGGDXTGPVCPN-MRXNPFEDSA-N 401.511 1.031 0 50 HDAA COc1ccc(OC)c(CNC(=O)C[C@@H]2C(=O)NCCN2Cc2ccccc2F)c1 55074620 VPULGWVLQUBPRX-LJQANCHMSA-N 415.465 1.850 0 50 HDAA CCN1CCN(C[C@@H](O)COc2cccc(CN(C)Cc3cc(C)on3)c2)CC1 95515311 PCDIMEVBWDJHEG-OAQYLSRUSA-N 402.539 1.992 0 50 HDAA CCc1sc(NC(=O)C[C@@H]2NC(=O)c3ccccc3NC2=O)nc1C(=O)OC 257175228 NYIOHDAZLUFKGB-NSHDSACASA-N 402.432 1.571 0 50 HDAA O=C(NC12C[C@@H]3C[C@H](C1)CC(n1ncnn1)(C3)C2)[C@H](Cc1ccccc1)n1cnnn1 827654763 GSEREPFFZJRPIM-XGNNGGHXSA-N 419.493 1.308 0 50 HDAA O=C(CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)Nc1cccc(-c2nn[nH]n2)c1 875164732 MEZOGRCBBVALEH-FQEVSTJZSA-N 403.402 1.199 0 50 HDAA O=C(Cn1cnnc1O)N1CC[C@](c2nc(-c3cccnc3)no2)(C(F)(F)F)C1 952891604 AOJCXDWUVVIKRA-HNNXBMFYSA-N 409.328 1.161 0 50 HDAA CC(=O)c1ccc(N2C[C@H]3CN(C(=O)C4CCOCC4)C[C@]3(CN(C)C)C2)nc1 1772808722 ZNOFMOHMLACEBU-UGKGYDQZSA-N 400.523 1.537 0 50 HDAA COC(=O)c1ccc2c(O)nc(CN3C[C@@H]4C[C@@H](C3)c3cccc(=O)n3C4)nc2c1 1775973997 UGAMFTRYOPYQFK-ZFWWWQNUSA-N 406.442 1.903 0 50 HDAA COc1ccc(NS(C)(=O)=O)cc1NS(=O)(=O)c1ccc(OC)c(OC)c1 1775988801 JHCRHPOUCSQHCY-UHFFFAOYSA-N 416.477 1.885 0 50 HDAA O=C(c1cnccn1)N1CCC(N[C@@H]2C[C@H]3CO[C@@H](c4ccccc4)CN3C2)CC1 1857735152 KCTHTEBRANSTNO-RZUBCFFCSA-N 407.518 1.885 0 50 HDAA O=C1NCC2(CN(C(=O)C[C@@H]3CCCN(c4nc5ccc(Cl)cc5o4)C3)C2)N1 1875248529 VZUJQZRXBZNRMU-LBPRGKRZSA-N 403.870 1.982 0 50 HDAA Cc1cc(-c2cn(-c3cccc4c3CN([C@H]3CCC(=O)NC3=O)C4=O)nn2)cc(C)n1 1875356813 SNJQFGIUPIDEDQ-IBGZPJMESA-N 416.441 1.707 0 50 HDAA Cn1cc(-n2nc(C3CCOCC3)nc2[C@H]2OCC(=O)N[C@@H]2c2ccccc2)cn1 2100473645 QZOPCYGUHVGQFY-MOPGFXCFSA-N 408.462 1.824 0 50 HDAA C[C@@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)O)c1ccc(I)cc1 2325877773 ZTJOWBHBVLHFBP-RNCFNFMXSA-N 413.215 1.930 0 50 HDAA COc1ccc(OC)c(S(=O)(=O)N(C)CC(=O)N2CCc3ccccc3C2)c1 2232846 KPZCMHHVADLMNO-UHFFFAOYSA-N 404.488 1.909 0 50 HDAA CC(=O)OC[C@]12C[C@H](OC(=O)CC(C)C)C(C)=C[C@H]1O[C@@H]1[C@H](O)[C@@H](O)[C@@]2(C)[C@]12CO2 4081734 PNKLMTPXERFKEN-MLXHEQMXSA-N 424.490 1.122 0 50 HDAA biogenic,in-vitro COCCCC1CCN(C(=O)[C@@H]2CCC(=O)N(CCCN3CCCC3=O)C2)CC1 11663057 CPVJJIYDVUEFMV-LJQANCHMSA-N 407.555 1.903 0 50 HDAA COC(=O)C1CCN(C[C@@H](O)COc2cccc(CN(C)Cc3ccn[nH]3)c2)CC1 12306704 FPDCMBCQPANMTE-HXUWFJFHSA-N 416.522 1.666 0 50 HDAA CC(C)CN1C[C@H](OCc2ccccc2F)CN(C(=O)[C@@H]2CCC(=O)N2)CC1=O 14740358 XFFMGWKXCIZZFP-WMZOPIPTSA-N 405.470 1.316 0 50 HDAA Cc1cc(N2CCN(C(=O)c3ccc(F)cc3F)CC2)nc(N2CCOCC2)n1 67604507 SDUJFWMNEFLMBL-UHFFFAOYSA-N 403.433 1.862 0 50 HDAA COc1cccc(S(=O)(=O)N2CCN(c3ccnc(N4CCCCC4)n3)CC2)c1 72441455 CEXLEYYLQAZJBO-UHFFFAOYSA-N 417.535 1.986 0 50 HDAA Cc1cc(F)ccc1N1C[C@]23C=C[C@H](O2)[C@@H](C(=O)N(C)CCc2cn[nH]c2)[C@@H]3C1=O 77439111 JWYLITILGZERTI-JYLXEMOASA-N 410.449 1.845 0 50 HDAA CC1CCN(S(=O)(=O)c2ccccc2S(=O)(=O)N(C)c2cnn(C)c2)CC1 253433073 RKNZCODCDHXKPJ-UHFFFAOYSA-N 412.537 1.666 0 50 HDAA COC(=O)[C@@H](O)C1CCN(C(=O)[C@H](Cc2c[nH]c3cc(F)ccc23)NC(C)=O)CC1 438197800 BZPFKSQZDCBEQW-OALUTQOASA-N 419.453 1.127 0 50 HDAA Cc1ccc(N2CCC(N3CCN(S(=O)(=O)N4CCN(C)CC4)CC3)CC2)cc1 1506400680 GKQMIUDMNLNBSQ-UHFFFAOYSA-N 421.611 1.074 0 50 HDAA CN1CCN(c2ccc(C(=O)N3CC[C@@]4(C(=O)O)CCCN(C)[C@@H]4C3)cc2)CC1 1704299206 NTVNPHZRXALPSU-KNQAVFIVSA-N 400.523 1.450 0 50 HDAA Cc1noc(C)c1CN1C[C@H]2CN(S(=O)(=O)c3cccc(F)c3)C[C@@]2(CO)C1 1772813745 RPPQEMLKSRVHQB-HNAYVOBHSA-N 409.483 1.546 0 50 HDAA CCS(=O)(=O)N1[C@H]2CC[C@@H]1C[C@]1(C2)CN(C(=O)c2ccnc(OC)c2)CCO1 1857675432 XUQCWWCAOJQYBV-MNZLEMJZSA-N 409.508 1.278 0 50 HDAA O=C([C@@H]1CCCNCC1)N1CCC2(CCc3c(O)nc(N4CCOCC4)nc32)CC1 1857716833 GQBGJJFFLRPUEJ-MRXNPFEDSA-N 415.538 1.215 0 50 HDAA Cc1ccc(/N=c2/scc(-c3cnn(C)n3)n2CCCNS(C)(=O)=O)cc1 1875255867 YRJVFCULJVDEMQ-LVZFUZTISA-N 406.537 1.825 0 50 HDAA O=C(c1cccc(O)n1)N1CCC2(CCc3c(O)nc(N4CCOCC4)nc32)CC1 1940195004 HVRISYOBXYCQAS-UHFFFAOYSA-N 411.462 1.240 0 50 HDAA Cc1ccc(CN2CCN(Cc3cnc(N4CCOCC4)s3)C[C@@H]2CCO)o1 19791388 ULXMDBMKRHHDBT-KRWDZBQOSA-N 406.552 1.950 0 50 HDAA O=C(C[C@@H]1C(=O)NCCN1Cc1c(F)cccc1Cl)NCCc1ccccn1 55182823 VKCHXCUFZBVJFQ-GOSISDBHSA-N 404.873 1.924 0 50 HDAA CNS(=O)(=O)NC1CCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)CC1 225547362 YVQPBODJZBBHOL-UHFFFAOYSA-N 402.325 1.200 0 50 HDAA C[C@H]1OCC[C@]1(O)CNC(=O)CSCc1nc2sc3c(c2c(=O)[nH]1)CCCC3 225723741 MOWVUDVGXFPHLU-WYRIXSBYSA-N 423.560 1.753 0 50 HDAA CC(C)[C@@H](CO)NC(=O)CCC(=O)N1CCN(c2nsc3ccccc23)CC1 253412556 RJGYCGBMGUSUOH-MRXNPFEDSA-N 404.536 1.858 0 50 HDAA COc1ccc(C(=O)N2CCC[C@@H](n3ncc(N4CCN(C)CC4)cc3=O)C2)cc1 328606221 QTLCIDOIBIGCKF-GOSISDBHSA-N 411.506 1.481 0 50 HDAA COCCCn1cnnc1CNS(=O)(=O)c1c(C)nn(-c2ccccc2)c1C 824396972 YSBQIDLRRAPECL-UHFFFAOYSA-N 404.496 1.596 0 50 HDAA Cc1nn(-c2ccccc2)c(C)c1[C@@H]1COCCN1C(=O)c1cnc(O)n(C)c1=O 952888083 MAGZEBVLOBFSRI-KRWDZBQOSA-N 409.446 1.502 0 50 HDAA Cc1[nH]nc(CN2C[C@@H]3CN(C(=O)COCc4ccccc4)C[C@]3(CO)C2)c1Cl 1772814791 BMAMZVOKHVDGQK-UTKZUKDTSA-N 418.925 1.841 0 50 HDAA CC[C@H]1[C@@H](C(=O)OC)C[C@H]2CN(C(=O)c3cnn(-c4ccccn4)c3C)CC(=O)N21 1875250558 LZWHFVXOSWYNTD-ZOBUZTSGSA-N 411.462 1.200 0 50 HDAA Cc1cccc([C@H](C)C(=O)N[C@@H]2CCN(C(=O)c3nc(O)sc3C)C[C@@H]2O)c1 2325841153 GJXMPVVIPPVIOZ-MAZHCROVSA-N 403.504 1.961 0 50 HDAA c1cncc(-c2nc3n(n2)CCN(Cc2cnc(NC[C@H]4CCCO4)nc2)CC3)c1 2356160428 RKHYPJOMOCLZPE-GOSISDBHSA-N 406.494 1.779 0 50 HDAA O=C(Nc1nc2ccc(S(=O)(=O)N3CCOCC3)cc2s1)c1ccncc1 1260829 NKJMCWABBXDZNR-UHFFFAOYSA-N 404.473 1.965 0 50 HDAA CCN1CCN(C(=O)c2cccc(OC3CCN(S(=O)(=O)N(C)C)CC3)c2)CC1 12710004 NZJYEQRHRYOMSB-UHFFFAOYSA-N 424.567 1.114 0 50 HDAA CS(=O)(=O)Nc1cccc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c1 13681344 XXJNDQQRKNUIPP-UHFFFAOYSA-N 417.487 1.745 0 50 HDAA COc1ccc(CCn2nc(C(=O)O)c3c2CCN(C(=O)Cn2cccn2)C3)cc1 67756825 HRICKYSEYSVDHC-UHFFFAOYSA-N 409.446 1.614 0 50 HDAA COC(=O)c1ccc(-c2noc(CN3CCN(C(=O)[C@H]4CCCO4)CC3)n2)cc1 72143746 FDROUPLKBYZVQR-MRXNPFEDSA-N 400.435 1.346 0 50 HDAA Cc1cnc(C)c(N2CCN(C(=O)CC[C@@]3(CCC(=O)O)CCC(=O)N3)CC2)n1 223743676 ZFTUXNMJAXLPEI-HXUWFJFHSA-N 403.483 1.036 0 50 HDAA CSCC[C@H](NC(=O)CCc1nnc(O)nc1O)c1nc2ccccc2n1C 263588346 SCCDAKSWPFHWBU-LBPRGKRZSA-N 402.480 1.713 0 50 HDAA Cc1ccc(S(=O)(=O)NCCCNC(=O)CCc2c(C)nc(O)nc2C)cc1 827820489 YHMRIQWHLNEKEB-UHFFFAOYSA-N 406.508 1.525 0 50 HDAA O=C(NCCN1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O)C1CCN(c2ncccn2)CC1 888090572 JGSZKPAKEGPESM-MJGOQNOKSA-N 422.533 1.090 0 50 HDAA CN(C)C(=O)C[C@H]1CN2C[C@@H](NC(=O)c3cc4cccc(Cl)c4n3C)C[C@H]2CO1 1857713643 AIXFNYJBRZZYHL-JYJNAYRXSA-N 418.925 1.882 0 50 HDAA Cn1cncc1-c1nccn1C[C@@H]1CN(CC2CCN(CC3CC3)CC2)C(=O)CO1 1875245522 CXZVKNKYIOMBMO-LJQANCHMSA-N 412.538 1.633 0 50 HDAA CN(C)C(=O)c1ccc2c(c1)N(C)[C@H](CC(=O)NCc1cccc3ncnn13)CO2 2356140822 QJEPZNXMPPPQTB-MRXNPFEDSA-N 408.462 1.335 0 50 HDAA CCS(=O)(=O)NCc1cc(CNC(=O)c2cccc(Cn3cccn3)c2)ccn1 2356146517 JPMGYZKUBUFNAN-UHFFFAOYSA-N 413.503 1.696 0 50 HDAA CCOC(=O)C1=C(N)N2C(=O)[C@@H](C)SC2=C(C(=O)OC)[C@H]1c1ccccc1OC 1075428 ILCPEENVIYSJBC-MFKMUULPSA-N 418.471 1.874 0 50 HDAA COCCN1C(=O)N(Cc2cccnc2)C(=O)C12CCN(Cc1cccnc1)CC2 14745428 JXPGLEJIMMCVKB-UHFFFAOYSA-N 409.490 1.922 0 50 HDAA Cc1c(C(N)=O)sc(NC(=O)CN(C)Cc2cnn(C)c2)c1C(=O)OC(C)C 17087735 ZALHWUNEANCKFT-UHFFFAOYSA-N 407.496 1.525 0 50 HDAA CCCN1CCC(NCc2ccc(OC[C@H](O)CN3CCN(C)CC3)cc2)CC1 19223442 IEVGWODKFUYMMU-JOCHJYFZSA-N 404.599 1.638 0 50 HDAA CC(C)=CCN1CCNC(=O)[C@H]1CC(=O)NCCc1nc(C)cc(C(F)(F)F)n1 19335722 ANCAEXYBMKVDMY-CQSZACIVSA-N 413.444 1.619 0 50 HDAA CCN1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(Br)cc2)CC1 20046240 JOIJWJOWQLTYNT-UHFFFAOYSA-N 404.330 1.234 0 50 HDAA NS(=O)(=O)c1ccc(NC(=O)CN2CCN(c3cccc(Cl)c3)CC2)cc1 55142351 JNWOQXPFYHRIIS-UHFFFAOYSA-N 408.911 1.748 0 50 HDAA CN1CCN(c2cc(N3CCN(C(=O)Cc4ccc(Cl)cc4)CC3)ncn2)CC1 72437439 YQFLKTFLRCYGDM-UHFFFAOYSA-N 414.941 1.773 0 50 HDAA COC[C@@H](C)n1c(CCCC(=O)N2CC(N3CCOCC3)C2)nc2cccnc21 77439204 BHZXLTQVWMOFTR-MRXNPFEDSA-N 401.511 1.504 0 50 HDAA CCN1CCN(C(=O)CCSCc2ccc(F)cc2)[C@H]2CS(=O)(=O)C[C@H]21 95502770 YZQGXAUYWUOWIZ-SJORKVTESA-N 400.541 1.779 0 50 HDAA CN(C[C@H]1COCCO1)C(=O)Cn1nc(Cc2ccccc2)c2ccccc2c1=O 426428281 RQWMTOJQUJINQY-SFHVURJKSA-N 407.470 1.861 0 50 HDAA O=C1CCc2cc(F)c(NC(=O)N3CCC[C@@H](N4CCCS4(=O)=O)C3)cc2N1 433268684 GAZWLGGGCOKRMQ-CYBMUJFWSA-N 410.471 1.742 0 50 HDAA O=C(N[C@H]1C2CN3CCN(C2)CC1(c1ccccc1)C3)c1ccccc1-n1cnnc1 670441528 XKMSRQRJIPYTHB-IGSLEHJCSA-N 414.513 1.565 0 50 HDAA Cc1cccc(CS(=O)(=O)NC(=O)c2cc3c(=O)n4ccccc4nc3n2C)c1 784553387 ABFYLBVAIMHZTI-UHFFFAOYSA-N 410.455 1.754 0 50 HDAA Cc1ccc(C(=O)N2C[C@@H]3OC(=O)N([C@@H]4CCN(C(=O)C5CCCC5)C4)[C@@H]3C2)cn1 952848110 BXBNNGBITBJKCH-QRVBRYPASA-N 412.490 1.826 0 50 HDAA CC[C@@H](C)[C@@H](CO)NC(=O)CC[C@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O 1772492656 WTUQBARDQGWPJY-BPLDGKMQSA-N 405.451 1.139 0 50 HDAA Cn1ccnc1CN1C[C@H]2CN(C(=O)c3csc4c3CCCC4)C[C@@]2(CO)C1 1772809582 AOBUDCCCWNXEOX-YCRPNKLZSA-N 400.548 1.927 0 50 HDAA CCOC(=O)[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CCN(C(=O)c1cccnc1O)C2 1857688579 RJPNOIREWAANFZ-DRSNIGMVSA-N 417.506 1.684 0 50 HDAA CCOc1cccc(C(=O)NC[C@H]2[C@H]3CN(c4cc[nH]c(=N)n4)C[C@]34CC[C@H]2O4)c1 1857729551 PDNABNRJWUWZHE-KCXPTXFHSA-N 409.490 1.702 0 50 HDAA CCn1cnc(CNC(=O)[C@H]2CC[C@@H](NC(=O)c3ccn(C)c3C)[C@H](OC)C2)c1 1875249215 LRDDCFPKGSWMHE-KFKAGJAMSA-N 401.511 1.780 0 50 HDAA O=S(=O)(NC[C@@H]1CCn2cnnc2C1)c1cccnc1NC[C@H]1CCCCS1 1875335744 FOGVCMRTBRINCJ-HUUCEWRRSA-N 422.580 1.912 0 50 HDAA O=C(N[C@@H]1CCN(C(=O)C2(O)Cc3ccccc3C2)C1)c1occc1Br 2325828564 KVHFGGDYRNIUEO-CQSZACIVSA-N 419.275 1.903 0 50 HDAA CCN1C[C@@H](C(=O)N2CCCCC[C@@H](NC(=O)c3cccc(CO)c3)C2)CCC1=O 2325864739 YOQMORJVRKSUGV-VQTJNVASSA-N 415.534 1.938 0 50 HDAA CC(=O)N1CCCNC(=O)[C@H]2C[C@@H]3CCCN3[C@@]23C(=O)N(CCC1)c1ccccc13 2356139129 BLBQRKRZCXVFQM-GEQKSPFYSA-N 410.518 1.471 0 50 HDAA COCCNC(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(C)cc1 2072342 HNKDTGBSNGWPSN-UHFFFAOYSA-N 422.503 1.970 0 50 HDAA COC(=O)[C@H](CO)NC(=O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1 4027391 QWRVHVAOTRUOLA-MSOLQXFVSA-N 400.431 1.174 0 50 HDAA biogenic COCCNC(=O)c1cn(C2CCN(C(=O)COc3ccccc3Cl)CC2)nn1 14886893 PGDBUOJNISWSSC-UHFFFAOYSA-N 421.885 1.550 0 50 HDAA O=C1NCCN(Cc2cccnc2)[C@@H]1CC(=O)N1CCC(OCc2ccccc2)CC1 55072546 WTPROMYIMULEHL-JOCHJYFZSA-N 422.529 1.980 0 50 HDAA O=C(O)c1[nH]ncc1CN1CCC(N2CCC(C(=O)NC[C@@H]3CCCO3)CC2)CC1 71765338 SXABTTHALCMBHN-SFHVURJKSA-N 419.526 1.080 0 50 HDAA CN(C)CC(=O)N1CCC(CCC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CC1 95527486 KJXSJVWMRNOHCU-OAQYLSRUSA-N 400.567 1.958 0 50 HDAA COC(=O)CC1CCN(C(=O)CC[C@H]2NC(=O)N(CCc3ccccc3)C2=O)CC1 206231342 MHZHJEAOTKFYDD-GOSISDBHSA-N 415.490 1.731 0 50 HDAA Cc1cc(NC(=O)CN2CCC[C@H]2CN2CCCCC2)n([C@@H]2CCS(=O)(=O)C2)n1 229281412 MADSUZUXPMRULE-ZWKOTPCHSA-N 423.583 1.440 0 50 HDAA CC(=O)O[C@@H]1O[C@H](C)[C@H](OCOCC[Si](C)(C)C)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 257359214 ZALSECPGTHUQES-JYPRYTIPSA-N 420.531 1.855 0 50 HDAA O=C(OCc1nnc(C2CC2)n1C1CC1)c1ccc(S(=O)(=O)N2CCOCC2)o1 783125239 VVPVJCJDKRBSQJ-UHFFFAOYSA-N 422.463 1.461 0 50 HDAA O=C(NCC1CCN(C(=O)c2c[nH]c3ccc(F)cc3c2=O)CC1)[C@@H]1CCOC1 952964024 KRNVPPCPWUGPCE-CQSZACIVSA-N 401.438 1.672 0 50 HDAA CCC(=O)N1C[C@H]2CN(S(=O)(=O)c3cnn(C)c3)C[C@]2(CCc2ccccc2)C1 1772817192 LWHPCPLYPZYEHV-RXVVDRJESA-N 416.547 1.912 0 50 HDAA CC(C)(CNC(=O)[C@@H]1CC(=O)N(c2nc3ccccc3s2)C1)N1CCOCC1 1857720559 ZSTPKJPDKJUOHN-CQSZACIVSA-N 402.520 1.876 0 50 HDAA CNC(=O)c1ccnc(N2CCC3(CCc4c(O)nc(N5CCOCC5)nc43)CC2)c1 1857732902 MDLLQHFVXOQEQL-UHFFFAOYSA-N 424.505 1.258 0 50 HDAA NC(=O)C[C@@H]1C(=O)N(c2ccc(F)cc2)C(=S)N1NC(=O)CCc1ccccc1 1069526 OMORHBPINDSYFJ-MRXNPFEDSA-N 414.462 1.667 0 50 HDAA Cn1c(=O)c2[nH]c(N3CCC[C@@H](COC(=O)c4cccs4)C3)nc2n(C)c1=O 1409328 QKCJUCGQQPPYNU-LLVKDONJSA-N 403.464 1.095 0 50 HDAA COCCNC(=O)C1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 2999521 VINWGKRCBMIRFV-UHFFFAOYSA-N 405.314 1.612 0 50 HDAA CN(Cc1n[nH]c2c1CCCC2)C(=O)c1cn(C[C@@H]2COc3ccccc3O2)nn1 12305510 BAVRPCAIPNQVKN-CQSZACIVSA-N 408.462 1.992 0 50 HDAA COc1ccc(OC[C@@H](O)CN2CCC(O)CC2)c(CNCCCn2ccnc2)c1 12317494 UOSIHLGRYFPLPJ-FQEVSTJZSA-N 418.538 1.268 0 50 HDAA COc1ccc(F)cc1S(=O)(=O)N1CCC[C@@H](C(=O)NC[C@@H]2CCCO2)C1 13580575 VPJHHJSYKGVNRT-HIFRSBDPSA-N 400.472 1.530 0 50 HDAA COc1ccc(S(=O)(=O)N2CCN(CC(=O)NCc3ccccc3)CC2)cc1 35889341 OITRIBQNRDEBFN-UHFFFAOYSA-N 403.504 1.318 0 50 HDAA COc1ccccc1N1CCN(c2ncccc2CNC(=O)[C@H]2COC(=O)N2)CC1 67850629 UFUGRJJLIMZZDC-MRXNPFEDSA-N 411.462 1.141 0 50 HDAA C[C@H](Cn1cncn1)C(=O)N1CCC2(CC1)CN(CCOc1ccccc1)C(=O)O2 77520242 RKLWVBBEEIJEQV-QGZVFWFLSA-N 413.478 1.807 0 50 HDAA CN1CCN([C@H]2CCN(C(=O)c3cccc(C(=O)O)c3)C[C@H]2CCC(=O)O)CC1 95355443 VNAIFFOLMXUINX-MSOLQXFVSA-N 403.479 1.328 0 50 HDAA O=C1CO[C@H](COc2ccc(F)cc2)CN1C1CCN(CCc2ncc[nH]2)CC1 299791837 GBHZADALCSPKJM-IBGZPJMESA-N 402.470 1.862 0 50 HDAA CSc1nnc(CCCNC(=O)CCC(=O)N2CCC(O)CC2)n1C1CCCC1 498048690 SVMMPWBOXPAQNK-UHFFFAOYSA-N 423.583 1.927 0 50 HDAA O=C1Nc2ccccc2[C@H]1CCC(=O)N1CCCN(S(=O)(=O)N2CCCC2)CC1 952963919 LTKOFCHWAXLCQN-QGZVFWFLSA-N 420.535 1.377 0 50 HDAA Cc1ncc(CN(CCO)C(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)[nH]1 1704307530 JFCSBBJYYFYIKG-QGZVFWFLSA-N 410.471 1.031 0 50 HDAA CCN1CC[C@@H]2C[C@@H](N3CCOCC3)CC[C@@]2(C(=O)NCCn2nc(C)cc2C)C1 1857688334 DKDNXWCULWITKS-FUPPJEDESA-N 417.598 1.829 0 50 HDAA Cc1nc(N2CCCC2)c2c(n1)C1(CC2)CCN(S(=O)(=O)c2cn[nH]c2)CC1 1857693052 GGIPTEZTXZFWQX-UHFFFAOYSA-N 402.524 1.777 0 50 HDAA Cc1nc(O)c2c(n1)[C@@]1(CCCN(C(=O)c3ccc4c(c3)N(C)C(=O)CO4)C1)CC2 1857702270 GPFAXBOIIZYUAP-QFIPXVFZSA-N 408.458 1.966 0 50 HDAA Cc1nn[nH]c1C(=O)N1CCC(N2C[C@H](COc3ccc(F)cc3)OCC2=O)CC1 1857708657 FXHXIRKFWPQFSE-QGZVFWFLSA-N 417.441 1.163 0 50 HDAA COc1ccc(C[C@]2(CCC(=O)N[C@H]3CCCCNC3=O)CCC(=O)N2)c(F)c1 12182617 KSMVEHWUTPTFPQ-UWJYYQICSA-N 405.470 1.591 0 50 HDAA CCOC(=O)CCN[C@@H]1CCc2c(c(C(=O)N3CCOCC3)nn2CC(C)C)C1 14740748 FFUGIJIENWZGQA-MRXNPFEDSA-N 406.527 1.412 0 50 HDAA O=C(C[C@H]1C(=O)NCCN1Cc1cccc(F)c1)NCCCOc1cccnc1 55099740 MYCGCGVLFXCRQG-IBGZPJMESA-N 400.454 1.497 0 50 HDAA CCOC(=O)N1CCN([C@@H]2CCCN(C(=O)c3c4c(nn3C)CCCC4)C2)CC1 55153725 SYXPLTYPLSJIDY-MRXNPFEDSA-N 403.527 1.678 0 50 HDAA COc1cccc(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N(C)Cc3cc[nH]n3)[C@H]4C2=O)c1 77407353 HOEWSTYXLQNHQD-OZIGNCPNSA-N 408.458 1.359 0 50 HDAA Cc1ccc(CCN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N(C)Cc3cnn(C)c3)[C@@H]4C2=O)cc1 77540724 YZJPAQSGIAYMMG-BLRYILKCSA-N 420.513 1.712 0 50 HDAA Cc1cccc(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N(C)Cc3cc(C)[nH]n3)[C@H]4C2=O)c1 77541784 BHALVZDTOPSGON-MXBUBSDBSA-N 406.486 1.967 0 50 HDAA O=C(CC[C@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O)NCCc1ccccn1 206240611 YJWNPVQVFQABJN-MRXNPFEDSA-N 410.430 1.370 0 50 HDAA C[C@@H](OC(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1)c1cnc(C2OCCO2)s1 252509940 YYWCMKAQNSBTGP-BXUZGUMPSA-N 416.459 1.913 0 50 HDAA O=C(c1ccc(Cl)cc1O)N1CCC[C@H](n2ncc(N3CC[C@H](O)C3)cc2=O)C1 328602949 DHVQNAPBPOJDLS-HOCLYGCPSA-N 418.881 1.651 0 50 HDAA O=C(Nc1cnn(CCN2CCOCC2)c1)N1C[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1 467946413 BCZIVLAHIRVGLI-OYRHEFFESA-N 424.549 1.811 0 50 HDAA COc1cc2nc(N3CC[C@H](N4CCN(C)CC4)[C@@H](C)C3)nc(N)c2cc1OC 487094640 QQPLAWYNOSLRCC-YOEHRIQHSA-N 400.527 1.691 0 50 HDAA CC(C)NC(=O)c1ccc(NC(=O)C2CCN([C@@H]3CCS(=O)(=O)C3)CC2)cc1 952972268 BKFZZTOKQNHKNA-GOSISDBHSA-N 407.536 1.662 0 50 HDAA Cn1ccn2ncc(C(=O)N[C@@H]3CN(CCOc4ccc(F)cc4)CC[C@@H]3O)c12 1857678076 RRSFAXFIXYXJMB-MSOLQXFVSA-N 401.442 1.056 0 50 HDAA Cc1noc(C)c1CNC(=O)[C@H]1CC[C@@H](O)[C@H](NC(=O)c2ccc3nccnc3c2)C1 1857685719 QUIMKKDDEIIUJO-VHKYSDTDSA-N 423.473 1.810 0 50 HDAA CCOC(=O)[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CCN(C(=O)c1coc(CN)n1)C2 1857706778 QPBBOYKDZFQMTL-WHSLLNHNSA-N 420.510 1.030 0 50 HDAA O=C1C[C@H]2N(Cc3ccc(OCCN4CCOCC4)cc3)CC[C@]23OCCCN13 1857721871 JULDHSRIPUOKJE-IRLDBZIGSA-N 401.507 1.321 0 50 HDAA Cc1ccc([C@@H]2CS(=O)(=O)CCN2Cc2ccc(S(=O)(=O)N(C)C)o2)o1 2325750326 QHKBMXCPLLDPJQ-AWEZNQCLSA-N 402.494 1.403 0 50 HDAA CCOC(=O)CN1C(=O)/C(=c2\sc3nc4ccccc4n3c2=O)c2ccccc21 729749 SIPNQTTXJMCHCB-ZCXUNETKSA-N 405.435 1.737 0 50 HDAA CS(=O)(=O)N(CC(=O)N1CCOCC1)c1cc(C(F)(F)F)ccc1Cl 801620 BMAOKUUBRNNRSB-UHFFFAOYSA-N 400.806 1.984 0 50 HDAA C[C@H]1CS(=O)(=O)N(c2cccc(C(=O)N3CCN(c4ccccc4)CC3)c2)C1=O 11859410 JPCNNQNSPYICKZ-INIZCTEOSA-N 413.499 1.962 0 50 HDAA Cn1ccnc1CN1CCN(c2nc3nonc3nc2NCc2ccccc2)CC1 11935739 DKDPSLKFYZFFOO-UHFFFAOYSA-N 405.466 1.681 0 50 HDAA CC(C)CS(=O)(=O)c1ncc(CN2CCC[C@H]2C(N)=O)n1Cc1ccccc1 12301914 BFXCPZWVFFKEFQ-SFHVURJKSA-N 404.536 1.811 0 50 HDAA CSCCCNC(=O)c1cccc(OC2CCN(S(=O)(=O)N(C)C)CC2)c1 12478994 OWTUNKBIHAYYDD-UHFFFAOYSA-N 415.581 1.819 0 50 HDAA COc1ccccc1CN1CCNC(=O)[C@H]1CC(=O)NCc1cccc(F)c1F 20210207 AOOSNOOWEIRZEA-QGZVFWFLSA-N 403.429 1.980 0 50 HDAA Cc1nccn1CCCNCc1ccc(OC[C@H](O)CN2CCN(C)CC2)cc1 20541280 VAVYCSCXOYFFBX-OAQYLSRUSA-N 401.555 1.359 0 50 HDAA COc1ccc(OC)c(CN2CCc3nnc(CCNC(=O)C4CCC4)n3CC2)c1 20908575 HFQRBGCAIHBIQT-UHFFFAOYSA-N 413.522 1.812 0 50 HDAA CN1CCN(C[C@H]2C[C@@H](C(=O)NCCO)CN(Cc3ccc4ccccc4c3)C2)CC1 23352504 WKRJQCCSOQIIEL-ZJSXRUAMSA-N 424.589 1.634 0 50 HDAA O=C(C[C@H]1C(=O)NCCN1Cc1ccc(F)cc1Cl)NCc1nnc2n1CCC2 55211878 YHUACMWPQSXCBL-HNNXBMFYSA-N 420.876 1.024 0 50 HDAA CN(Cc1ccon1)C(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(CCOc4ccccc4)C(=O)[C@H]13)O2 77377147 KDKXVDSCCIEOKD-OZIGNCPNSA-N 409.442 1.494 0 50 HDAA CCOCCC(=O)N1CCc2ccc(S(=O)(=O)N3CCC[C@@H]3COC)cc2C1 77455295 KMRRLMKYSHMSCO-GOSISDBHSA-N 410.536 1.797 0 50 HDAA COC(=O)C1=C(C(=O)OC)[C@@]23C=CC=C[C@]24C(C(=O)OC)=C(C(=O)OC)[C@@H]4[C@H]1C3 103009041 KYPYYYMRGZJZCQ-HTPUBFKPSA-N 400.383 1.034 0 50 HDAA CC(C)CC(=O)N[C@@H](C(=O)N1CCN([C@H](C)C(=O)NC2CC2)CC1)c1ccccc1 110576979 RRSBJNQDPCMKIR-DYESRHJHSA-N 414.550 1.701 0 50 HDAA O=C(c1cnc2ccccc2n1)N1CCCN(S(=O)(=O)N2CCCCC2)CC1 952980258 VMSAKYINRXJJPJ-UHFFFAOYSA-N 403.508 1.508 0 50 HDAA CS(=O)(=O)Nc1cccc(NC(=O)c2cc3c(c(S(N)(=O)=O)c2)CCC3)c1 1323038097 BUHFSLROJNWSNF-UHFFFAOYSA-N 409.489 1.447 0 50 HDAA COc1ccc([C@@H]2[C@@H](CO)OCCN2C(=O)c2c(Cl)c(C)nn2C)cc1OC 1529099875 GARZZSCXKWTUQY-NVXWUHKLSA-N 409.870 1.974 0 50 HDAA CCOC(=O)[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CCN(C(=O)c1nonc1C)C2 1857682937 MRMMUNBRTYVINZ-JXXFODFXSA-N 406.483 1.274 0 50 HDAA CCOCc1nnc(N2C[C@@H](C(=O)NCc3ccc4nc(C)[nH]c4c3)CC2=O)s1 1857718862 WUHUZPQZFBDFSV-ZDUSSCGKSA-N 414.491 1.929 0 50 HDAA CCc1cnc(N2CCO[C@@]3(C[C@@H]4CC[C@H](C3)N4C[C@H]3CNCCOC3)C2)nc1 1857720641 CQQQLHGLSPWTLD-JBPLPALLSA-N 401.555 1.477 0 50 HDAA O=C1CC[C@@H](c2ccccc2)CCNC(=O)CN(C(=O)c2ccnnc2)CCCN1 1875240023 FFEFVQMGSZGLAB-GOSISDBHSA-N 409.490 1.509 0 50 HDAA COCc1ccc(C(=O)NC2(CNC(=O)[C@@H]3CSCN3C(C)=O)CCCCC2)o1 1875348127 YBPZBIDCDLGKQG-INIZCTEOSA-N 423.535 1.896 0 50 HDAA CC(=O)NC1(CC(=O)N2C[C@@H]3[C@@H](CCC[C@H]3NC(=O)c3n[nH]c4ccccc34)C2)CC1 2325823811 FSOJYOGQYOHNFL-CGTJXYLNSA-N 423.517 1.979 0 50 HDAA CN(C)C(=O)c1ccc2c(c1)N(C)[C@H](CC(=O)N[C@H]1CC[C@H](C(=O)O)CC1)CO2 2356167805 CNSBQSNTVQPONH-FVQBIDKESA-N 403.479 1.735 0 50 HDAA O=C(NCCCn1nnc2ccccc21)[C@H]1CCC(=O)N(CCc2ccccn2)C1 12306616 HGXOHRBXXWIZSU-KRWDZBQOSA-N 406.490 1.814 0 50 HDAA O=C1NCCN(Cc2cccnc2)[C@@H]1CC(=O)N1CCOc2ccc(Cl)cc2C1 55283284 SBEULUFPQAXBSC-GOSISDBHSA-N 414.893 1.847 0 50 HDAA COc1ccc(-c2ccc(=O)n(CC(=O)N=c3[nH]c4ccccc4[nH]3)n2)cc1OC 61720753 RPMXZHBHLFCASN-UHFFFAOYSA-N 405.414 1.864 0 50 HDAA O=C1NCCN(Cc2cccs2)[C@@H]1CC(=O)N1CCC(O)(c2ccccn2)CC1 67559259 ZCTIEIPVKCYHEE-QGZVFWFLSA-N 414.531 1.344 0 50 HDAA Cc1ccc(CCN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N3CCc5n[nH]cc5C3)[C@@H]4C2=O)cc1 77394411 AGKFGJLCQVLCQC-JCUDRXCFSA-N 418.497 1.628 0 50 HDAA CCS(=O)(=O)N1CCC(N2CCC[C@@H](C(=O)NCCc3ccccc3)C2)CC1 82137301 YJKGAAGPGXZEDH-LJQANCHMSA-N 407.580 1.871 0 50 HDAA CS(=O)(=O)c1ccc(-n2nnnc2COC(=O)Cc2cnc3ccccc3c2)cc1 170610732 VNCMFHBOYVIKNG-UHFFFAOYSA-N 423.454 1.900 0 50 HDAA Cn1ccc(CC(=O)N2CC[C@H](N3CCN(CCc4ccccc4)CC3)[C@@H](O)C2)c1 212506875 WTNGNFJHMKENES-GOTSBHOMSA-N 410.562 1.390 0 50 HDAA C=CC(=O)NCCNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 731883720 ZYGYHTLFSTYIIH-UHFFFAOYSA-N 413.927 1.937 0 50 HDAA CC(C)CN1CCN(c2ncnc3c2ncn3CC2(CO)CCOCC2)[C@H](C)C1=O 888097095 AGGGJRJVUOYBGD-MRXNPFEDSA-N 416.526 1.309 0 50 HDAA C[C@@H]1CCCN(C(=O)C2CC3(C2)C[C@H](NC(=O)c2ccon2)CCS3(=O)=O)CC1 952876170 DLLDILYSLLFQAY-OXJONJSCSA-N 423.535 1.779 0 50 HDAA CCc1noc([C@@H]2CC[C@H](NS(=O)(=O)c3ccc4c(c3)n(C)c(=O)n4C)C2)n1 1309921450 RYHYPAYLHXEOTJ-NEPJUHHUSA-N 405.480 1.437 0 50 HDAA Cc1nc(CNC(=O)[C@@]23CCCN(C(=O)c4ncc[nH]4)[C@H]2CN(C)CC3)cs1 1857685623 MQNCDWPYWUQDNM-HNAYVOBHSA-N 402.524 1.418 0 50 HDAA O=C(c1nc2ccccc2[nH]c1=O)N1CC[C@@]23OC[C@@H](c4ccccc4)N2C(=O)C[C@@H]13 1857718000 KAEPAPQUWMIGLQ-IXFSTUDKSA-N 416.437 1.838 0 50 HDAA Cc1cccc(C)c1C(=O)NC[C@H]1[C@H]2CN(c3cc(N)[nH]c(=N)n3)C[C@]23CC[C@H]1O3 1857734474 SXUVYGLNQGOGRH-GHZYGTOFSA-N 408.506 1.502 0 50 HDAA NC(=O)[C@@H]1CCCN(c2ncccc2CNC(=O)c2ccccc2-n2cccn2)C1 2325713435 FRMVTQOJGFDMAL-QGZVFWFLSA-N 404.474 1.899 0 50 HDAA CCn1nc(C(C)C)cc1C(=O)N[C@@H]1CCC[C@H]1NC(=O)[C@H]1CN2CCC[C@H]2CO1 2325839063 HROHBOUWVSNPGK-TVKQPGBESA-N 417.554 1.657 0 50 HDAA O=C(CN1C(=O)CNC1=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1[C@H]2Cc1ccccc1 2356158491 MGOHZEMPTNOIAC-AOIWGVFYSA-N 420.469 1.130 0 50 HDAA CC(=O)Nc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 644402 HJELNYXBCPAGBW-UHFFFAOYSA-N 423.516 1.340 0 50 HDAA NC(=O)C1(N2CCCCC2)CCN([C@H]2CC(=O)N(CCc3ccccc3)C2=O)CC1 1214814 NDZYVJKKAZUJAO-IBGZPJMESA-N 412.534 1.162 0 50 HDAA CCOC(=O)C1CCN(Cc2cccc(OC[C@@H](O)CN3CCOCC3)c2)CC1 11813900 DXUVCECOKZYWPV-FQEVSTJZSA-N 406.523 1.534 0 50 HDAA COc1ccccc1CN1CCc2nnc([C@@H](NS(C)(=O)=O)C(C)C)n2CC1 12030816 FOALPLMHTGOCPC-SFHVURJKSA-N 407.540 1.591 0 50 HDAA CSCCC(=O)N1CC(=O)N(CC2CCOCC2)C[C@@H](OCc2ccncc2)C1 14530853 DBSCCGLKCZAIJA-LJQANCHMSA-N 421.563 1.817 0 50 HDAA O=C(Cn1cnnn1)N(CC1CCN(Cc2ccccc2F)CC1)C[C@H]1CCCO1 14963683 LNHIWAQWQFHSJF-LJQANCHMSA-N 416.501 1.732 0 50 HDAA O=C1CC[C@H](C(=O)N2CCC(c3ccncc3)CC2)CN1CCCN1CCOCC1 20538071 UXBYIQHWNCYJHN-NRFANRHFSA-N 414.550 1.749 0 50 HDAA COc1ccc(OC)c(CNC(=O)C[C@H]2C(=O)NCCN2Cc2ccccc2F)c1 55074626 VPULGWVLQUBPRX-IBGZPJMESA-N 415.465 1.850 0 50 HDAA CN1CCN(c2ccc(NC(=O)CN3C(=O)c4ccccc4S3(=O)=O)cc2)CC1 65365464 LABRVEFUNSZIPT-UHFFFAOYSA-N 414.487 1.222 0 50 HDAA CCOc1ccc(N2C(=O)C[C@H](N3CCN(C(=O)c4cccnc4)CC3)C2=O)cc1 100202726 KWRZYSHBIIMIRD-IBGZPJMESA-N 408.458 1.570 0 50 HDAA CC(C)(C)OC(=O)N1CCN(c2cccc(B(O)OC(C)(C)C(C)(C)O)c2)CC1 169952258 POZTXSLHWQDXMV-UHFFFAOYSA-N 406.332 1.997 0 50 HDAA CN1C[C@@H]2CN(C(=O)c3ccc(S(=O)(=O)Nc4ccccc4)cc3)CCN2C1=O 225640102 MWBSJRBWWUHLGY-QGZVFWFLSA-N 414.487 1.679 0 50 HDAA Cc1c(C(=O)N2CCC3(CCc4c(O)nc(N5CCOCC5)nc43)CC2)cnn1C 1857721268 HLWDVNZYFFPADH-UHFFFAOYSA-N 412.494 1.181 0 50 HDAA CC[C@H](O)C(F)(F)C(=O)N[C@@H]1CCC[C@@H]1NC(=O)Cc1c(F)cncc1Cl 2325860823 WDEDECWYZQQQBS-MJBXVCDLSA-N 407.820 1.976 0 50 HDAA CCOC(=O)c1ccc(NC(=O)[C@H](C)Sc2nc(O)c(NC(C)=O)c(=O)[nH]2)cc1 10059008 YVVHOSPYNDWZTM-VIFPVBQESA-N 420.447 1.730 0 50 HDAA CCOc1ccccc1CN1CCNC(=O)[C@@H]1CC(=O)NCC(C)(C)CN(C)C 12456348 PANOHJJGVDGEOT-SFHVURJKSA-N 404.555 1.480 0 50 HDAA O=C(C[C@H]1C(=O)NCCN1Cc1cccs1)NCc1n[nH]c2c1CCCCC2 55245052 FSEWRFDZADKSJI-SFHVURJKSA-N 401.536 1.747 0 50 HDAA O=C1CCCCN1CC(=O)N1CCC[C@H](N2CCN(c3ccccc3F)CC2)C1 61969764 ONNNCABURCYIPV-SFHVURJKSA-N 402.514 1.951 0 50 HDAA CN1CCN([C@H]2CCN(C(=O)c3cc(C(F)(F)F)[nH]n3)C[C@H]2CCCO)CC1 95372105 QKPJTIJRFZRPRA-HIFRSBDPSA-N 403.449 1.279 0 50 HDAA COc1ccc(CN2C(=O)N[C@H](CC(=O)NCCc3nccs3)C2=O)cc1OC 206246209 MBGBNRBKTQMNOI-CYBMUJFWSA-N 418.475 1.330 0 50 HDAA Cc1cccn2c(=O)c3c(nc12)N1CC[C@@H](C)C[C@@H]1C1(C3)C(=O)N(C)C(=O)N(C)C1=O 227048842 LPJOKDAQSOWFRK-IUODEOHRSA-N 423.473 1.201 0 50 HDAA COCCn1nc2c(cc1=O)CN(C(=O)c1cc(-c3ccc(OC)cc3)n[nH]1)CC2 263619291 XYRANGLQVDMOSV-UHFFFAOYSA-N 409.446 1.487 0 50 HDAA COCCc1noc([C@@H]2CCCCN2C(=O)Cc2ccc(-n3nnnc3C)cc2)n1 952986583 ZIWSSIWMTYMTJT-KRWDZBQOSA-N 411.466 1.839 0 50 HDAA Cc1cncc(N2CCC3(CC2)OCC[C@@](C)(NC(=O)c2cccc(O)c2)[C@@H]3O)n1 1772702723 IVQNCVWFEQRFAS-LEWJYISDSA-N 412.490 1.800 0 50 HDAA CCc1ocnc1C(=O)N1CCC2(CCc3c(O)nc(N4CCOCC4)nc32)CC1 1875245539 DRXJODIHMLDYLU-UHFFFAOYSA-N 413.478 1.689 0 50 HDAA O=C(c1ccc(CO)cc1)N1CC[C@]2(CCN(C(=O)c3cnc4[nH]cnc4c3)C2)C1 1875360446 HXMUYDHMIJLNQJ-QFIPXVFZSA-N 405.458 1.829 0 50 HDAA Cc1nn(C)c(N)c1C(=O)N(C)[C@H]1CCCC[C@@H]1N(C)C(=O)c1c(C)nn(C)c1N 2325706947 JRZVQXDYXFYDGH-KBPBESRZSA-N 416.530 1.090 0 50 HDAA COC(=O)c1nc(N2CCN(c3ccc4nncn4n3)[C@@H](C)C2)c2sccc2n1 2325863863 ZMSRZAHUWPASHC-NSHDSACASA-N 410.463 1.631 0 50 HDAA CCOC(=O)c1ccccc1NCc1c(C(=O)OCC)nnn1-c1nonc1N 2025015 HRTHPTWCEDUDLJ-UHFFFAOYSA-N 401.383 1.198 0 50 HDAA Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3nc4ncccn4n3)cc2)n1 2808490 BCFCBOYRPJJAQO-UHFFFAOYSA-N 424.446 1.584 0 50 HDAA COc1ccc(CNCCSc2cn[nH]n2)cc1OC[C@H](O)CN1CCCC1 11664404 SJXJMBUSTPVUAE-MRXNPFEDSA-N 407.540 1.531 0 50 HDAA COCC1CCN(C(=O)C[C@@H]2C(=O)NCCN2Cc2ccc(OC)c(C)c2)CC1 11874803 OQHOSWDOMFKOPE-LJQANCHMSA-N 403.523 1.579 0 50 HDAA CCOC(=O)CN(C)Cc1cnc(S(=O)(=O)CCOC)n1Cc1ccccc1 39515561 GZQNBIMDTSRFPC-UHFFFAOYSA-N 409.508 1.346 0 50 HDAA Cc1cc(C)nc(N2CCC(N3CCC[C@@H](C(=O)N4CCN(C)CC4)C3)CC2)n1 71774503 YOLDMZREVXJBRB-LJQANCHMSA-N 400.571 1.548 0 50 HDAA CN(CCc1cn[nH]c1)C(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(Cc4ccc(F)cc4)C(=O)[C@@H]13)O2 77377572 GPOZEMRDJDNFBE-VWNVYAMZSA-N 410.449 1.532 0 50 HDAA O=C1[C@H]2[C@@H](C(=O)N3CCC(F)CC3)[C@@H]3C=C[C@@]2(CN1CCOc1ccccc1)O3 77553586 ZELZOTYQICIHLZ-VWNVYAMZSA-N 400.450 1.808 0 50 HDAA CN1CCN([C@H]2CCN(C(=O)c3nc4ccc(F)cc4[nH]3)C[C@H]2CCCO)CC1 95385404 CQMHLASGDDLFLP-BEFAXECRSA-N 403.502 1.553 0 50 HDAA CCOC(=O)c1c[nH]c(=O)c([C@H](CC(=O)O)c2cc(OC)c(OC)cc2OC)c1O 217735593 ROCLNEOFGZEHOC-LLVKDONJSA-N 421.402 1.890 0 50 HDAA biogenic C[C@H](C(=O)N1C[C@H]2CCC[C@@]2(c2nc(Cc3ccccc3)no2)C1)S(C)(=O)=O 328603634 GUJSUADBNJWKMV-AKCHCHLHSA-N 403.504 1.974 0 50 HDAA Cn1nnc(-c2cccc(NC(=O)CCCC[C@@H]3SC[C@H]4NC(=O)N[C@@H]43)c2)n1 334162694 XCUYUNFMPRKELB-YCPHGPKFSA-N 401.496 1.541 0 50 HDAA CC[C@@H]1CN(C(=O)CCc2c(C)nn(-c3ccc(S(N)(=O)=O)cc3)c2C)C[C@@H]1O 468023351 AEVBCZXGAWVSIM-BEFAXECRSA-N 420.535 1.298 0 50 HDAA CCCS(=O)(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCCC[C@H]2CN)cc1F 497355535 YEPOPTXBSHXYQE-WFASDCNBSA-N 407.533 1.773 0 50 HDAA O=S(=O)(N1CCCCC1)N1CCCN(Cc2cnc(-c3ccccn3)nc2)CC1 952972283 WVRNCIUIASPNCY-UHFFFAOYSA-N 416.551 1.777 0 50 HDAA Cc1cc(NS(=O)(=O)c2cccc(C(=O)N3CC[C@H]4CC[C@@H](C3)[S@]4=O)c2)no1 1306885388 QOHGIQRSARYLNP-OACFQNQOSA-N 423.516 1.909 0 50 HDAA COc1ccc(CN2C[C@@H]3COCC[C@]3(C(=O)O)C2)cc1OCCN1CCOCC1 1772702488 SFVPZZKZRUQHLJ-GCJKJVERSA-N 420.506 1.329 0 50 HDAA Cc1ccc(C(=O)N2CCC(C(=O)N3CC[C@H](O)[C@@]4(CCCNC4=O)C3)CC2)cc1 1857704969 MTCAKEPBUPNHJY-WMZHIEFXSA-N 413.518 1.337 0 50 HDAA Cc1cc(C(=O)N2CCc3ncc(CNC(=O)[C@@H]4CCCN(C)C4)cc3C2)n(C)n1 1875244526 SXEYTXYLUBAAFA-QGZVFWFLSA-N 410.522 1.280 0 50 HDAA Cc1nc(CCNC(=O)[C@H]2CC[C@H](NC(=O)Cc3ccc(F)cc3)[C@@H](O)C2)no1 1875249814 CPJIWYMVCYCWQW-XIRDDKMYSA-N 404.442 1.064 0 50 HDAA C[C@H]1COc2c(F)c(F)cc3c(=O)c(C(=O)NCCc4nnc5n4CCC5)cn1c23 1875346684 LQSAMDSNJWCDBQ-JTQLQIEISA-N 415.400 1.743 0 50 HDAA N=c1nc2c(c[nH]1)CC[C@@]21CCCN(C(=O)CCn2c(CO)nc3ccccc32)C1 2356156733 ODNDCVPIGAJCCC-JOCHJYFZSA-N 406.490 1.628 0 50 HDAA O=C1N[C@](NS(=O)(=O)c2ccccc2)(C(F)(F)F)C(=O)N1Cc1ccco1 2863674 QEXJEVMABLHMPP-CQSZACIVSA-N 403.338 1.569 0 50 HDAA O=C1C[C@@H](C(=O)N2CCN(C(=O)c3ccco3)CC2)CN1CCc1ccc(F)cc1 4976175 MCNFOAXIRAKWKU-QGZVFWFLSA-N 413.449 1.794 0 50 HDAA COc1cc(OC)cc(C(=O)N2CCN(c3cc(-n4ccnc4C)ncn3)CC2)c1 72433945 ZYDUELKOQBOIPD-UHFFFAOYSA-N 408.462 1.950 0 50 HDAA CN(Cc1cc[nH]n1)C(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(CCOc4ccccc4)C(=O)[C@H]13)O2 77519291 HSOJICHOFJRKIR-OZIGNCPNSA-N 408.458 1.229 0 50 HDAA O=C(CS(=O)(=O)Cc1cccc(Br)c1)NCCc1nnc(S)o1 170600545 REEDTRBJOKBHHB-UHFFFAOYSA-N 420.310 1.395 0 50 HDAA CCc1nc(C2CCN(C(=O)CNC(=O)c3ccc(N4CCCC4=O)cc3)CC2)n[nH]1 170611601 JVHWZOWYESCQAK-UHFFFAOYSA-N 424.505 1.630 0 50 HDAA COc1ccc(CN2CCCn3nc([C@@H](O)CO)cc3C2)cc1CN1CCCC1 221420241 XGQKREBKOLWPGV-NRFANRHFSA-N 400.523 1.919 0 50 HDAA Cc1nc(C)c(C(=O)NC[C@H]2CN(CC3CCN(CC4CC4)CC3)C(=O)CO2)o1 299788011 UPKFRFVAUHTTDE-SFHVURJKSA-N 404.511 1.371 0 50 HDAA NC(=O)c1coc(CNC(=O)N2CCNC(=O)[C@@H]2c2ccc(C(F)(F)F)cc2)c1 430212349 MHMWEMTYPBACAV-AWEZNQCLSA-N 410.352 1.780 0 50 HDAA O=S(=O)(N1CCCCC1)N1CCCN(C2CCN(Cc3ccco3)CC2)CC1 952965242 SXQMXXTVYCBOQI-UHFFFAOYSA-N 410.584 1.982 0 50 HDAA C[C@]1(O)CCOC2(CCN(C(=O)c3ccc(C(=O)N4CCOCC4)cc3)CC2)C1 1704337115 VVLSGPMTOKWNRU-NRFANRHFSA-N 402.491 1.695 0 50 HDAA O=C1CO[C@H](Cn2ccnc2-c2cncnc2)CN1CC1CCN(CC2CC2)CC1 1857741023 YJKWJZQSTHMNQH-HXUWFJFHSA-N 410.522 1.690 0 50 HDAA O=C(c1ccc[nH]1)N1CCC[C@]2(CCc3c2nc(-c2cccnc2)[nH]c3=NCCO)C1 1875250762 FJJBOJCUQOCLLW-QHCPKHFHSA-N 418.501 1.813 0 50 HDAA C[C@H](CCCNC(=O)[C@H]1CCC[C@H]1S(C)(=O)=O)NC(=O)[C@H](O)c1ccccc1 1875344107 DSHFZVMWRHXYMS-BZZMCLGOSA-N 410.536 1.334 0 50 HDAA COc1cc(Br)cc2cc(C(=O)N3CCC(C(N)=O)CC3)c(=O)oc12 1110076 QTKWCYKSZHNICJ-UHFFFAOYSA-N 409.236 1.902 0 50 HDAA COc1cc([C@@H]2NC(=O)N[C@](O)(C(F)(F)F)[C@@H]2C(=O)c2cccnc2)ccc1O 11859158 KYUZLWFKQNZOHE-GRDNDAEWSA-N 411.336 1.900 0 50 HDAA COc1ccc(CCN(C)[C@H]2CCCN(C(=O)CN3CCCC3=O)C2)cc1OC 11878449 WESKFXJXCWZGBR-SFHVURJKSA-N 403.523 1.792 0 50 HDAA Cc1cc(N2CCN(C(=O)Cn3nnnc3CN3CCC(C)CC3)CC2)cc(C)n1 12586359 COUKKSTWVPVENU-UHFFFAOYSA-N 412.542 1.266 0 50 HDAA CCN(CC)C[C@H](O)COc1cc(CNCCCN2CCCC2=O)ccc1OC 15069830 MSJKVNYYBULSIF-IBGZPJMESA-N 407.555 1.879 0 50 HDAA CCN1CCN(C[C@@H](O)COc2cccc(CN(C)Cc3nonc3C)c2)CC1 20993216 XNYZDRHOYAZTPT-LJQANCHMSA-N 403.527 1.387 0 50 HDAA Cc1ccc(CCN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N(C)Cc3ncc[nH]3)[C@H]4C2=O)cc1 77408150 YLACGKGPCXLYEI-UDSSINMLSA-N 406.486 1.701 0 50 HDAA CN(C)C(=O)NCC(=O)N1CCC2(CCC(=O)N(CCc3ccccn3)C2)CC1 95377888 GNPZMQOUUIGSAQ-UHFFFAOYSA-N 401.511 1.127 0 50 HDAA COC(=O)C[C@]1(NC(=O)[C@@H](Cc2c[nH]c3cc(F)ccc23)NC(C)=O)CCOC1 464441545 ZGCLJEGNRKQWHY-YLJYHZDGSA-N 405.426 1.193 0 50 HDAA Cc1cc([C@](C)(O)CNC(=O)[C@@H]2C[C@H](O)CN2C(=O)Cc2ccccc2F)c(C)o1 1465431837 DGIXZOFNDBTARY-XWFZLUIHSA-N 418.465 1.564 0 50 HDAA O=C(CN1CCOc2ccccc2C1)N1CC[C@](Cc2ccccc2)(C(=O)O)[C@@H](O)C1 1704304288 CJTQLZZLBVLADL-XUZZJYLKSA-N 424.497 1.788 0 50 HDAA O=C(O)c1cc2c(nc1N1C[C@H]3CN(Cc4ccns4)C[C@@]3(CO)C1)CCC2 1772805966 SAWXFRKZUBFXJF-VLIAUNLRSA-N 400.504 1.656 0 50 HDAA O=C(c1ccc(F)cc1O)N1CCO[C@@H](CN2CCOCC2)[C@@H]1c1cccnc1 1857720177 ICBYCSJYTOLODQ-PMACEKPBSA-N 401.438 1.841 0 50 HDAA CC(=O)N1CCC[C@@]2(CCc3c2nc(-c2cccnc2)[nH]c3=NCCn2cncn2)C1 1875248465 RYJREVQLCUWXII-JOCHJYFZSA-N 418.505 1.490 0 50 HDAA CC(C)C[C@H](C(N)=O)C(=O)NC[C@@H]1CCC[C@H]1NC(=O)c1ccc2c(c1)CCO2 1875344429 KNYTYGSLHHFMJR-RCCFBDPRSA-N 401.507 1.784 0 50 HDAA CC(C)[C@H](CNC(=O)C[C@@H]1CCC(=O)NC1)NC(=O)CNc1cccc(Cl)c1 1875345307 VSRSUBPTQWZFEG-YOEHRIQHSA-N 408.930 1.925 0 50 HDAA O=C1CC[C@H](N2Cc3ccc(C(=O)NCc4cccc(C(=O)O)c4)cc3C2=O)C(=O)N1 2325895590 DQAUKSMBPQXDNI-KRWDZBQOSA-N 421.409 1.076 0 50 HDAA Cc1cc2n[nH]cc2cc1NC(=O)c1ccc2c(c1)CN([C@H]1CCC(=O)NC1=O)C2=O 2325896045 PLGSCBGXTQCNET-SFHVURJKSA-N 417.425 1.885 0 50 HDAA CC1=C(C(=O)NCc2ccccc2)[C@H](c2ccccc2OCC(N)=O)NC(=S)N1 4810199 LZPZPHSPEVKSSU-IBGZPJMESA-N 410.499 1.660 0 50 HDAA CC(=O)OC[C@H]1O[C@@H](SC(C)(C)C)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 5495578 GPOWSWIZSCANEB-UUAJXVIYSA-N 420.480 1.601 0 50 HDAA O=C1CCCc2c1cc(C(=O)NCCCN1CCOCC1)c(=O)n2-c1ccccc1 20026801 VGTNVEXSIMSZEW-UHFFFAOYSA-N 409.486 1.809 0 50 HDAA COc1cc(CN(C)CCn2ccnc2)ccc1OC[C@@H](O)CN1CCOCC1 20149359 RPRJHVZQEQBHAJ-IBGZPJMESA-N 404.511 1.096 0 50 HDAA CC(C)NC(=O)c1cn(CCN2CCN([C@H](C)Cc3ccccc3F)CC2)nn1 20294053 CKADBAYSFLXOEP-QGZVFWFLSA-N 402.518 1.804 0 50 HDAA O=C1NCCN(Cc2cccc(C(F)(F)F)c2)[C@H]1CC(=O)N1CCSCC1 55341657 QOBFQBDSSKRSPQ-HNNXBMFYSA-N 401.454 1.971 0 50 HDAA CC(C)SCC(=O)N1CCC2(CC1)CN(CCN1CC[C@H](N(C)C)C1)C(=O)O2 77503559 OWUMFRWNFPUCEQ-KRWDZBQOSA-N 412.600 1.577 0 50 HDAA COc1cc(CN(C)Cc2ccccn2)ccc1OC[C@@H](O)CN1CCOCC1 95505773 BYERGKDCSGROBV-FQEVSTJZSA-N 401.507 1.794 0 50 HDAA O=C(CN1C(=O)[C@H]2C=CC=C[C@H]2C1=O)OCC(=O)c1ccc(Br)cc1 100346440 PPCRDERFHPIULC-OKILXGFUSA-N 404.216 1.902 0 50 HDAA Cc1cc(C(=O)NC[C@H]2CN(CC3CCN(CC4CC4)CC3)C(=O)CO2)cnc1C 299783758 UYTDCVZTJNCAOY-NRFANRHFSA-N 414.550 1.778 0 50 HDAA COc1ccc(CN(C)CCn2cc(C(=O)N3CCN(C)CC3)nn2)c(C)c1C 299796986 PJNOMHIKKVGSJV-UHFFFAOYSA-N 400.527 1.423 0 50 HDAA CNS(=O)(=O)c1ccc(C(=O)N2CCc3c(Br)cccc3C2)cn1 472545424 GNSAKEQWPWDGPI-UHFFFAOYSA-N 410.293 1.951 0 50 HDAA COc1ccc(-n2cccn2)cc1S(=O)(=O)NC[C@H]1CC(=O)N(C2CCCC2)C1 670445477 NCLXMEZKPLEGOB-OAHLLOKOSA-N 418.519 1.950 0 50 HDAA C[C@H]1CN(C(=O)c2cccn2Cc2ccncc2)CCN1c1nccn2cnnc12 771660923 YJCLUYFXMXNUEJ-INIZCTEOSA-N 402.462 1.720 0 50 HDAA CCn1nc(CC(C)C)cc1C(=O)N1CCCN(S(=O)(=O)N2CCCC2)CC1 952982888 HJUVTVHMNLMEBR-UHFFFAOYSA-N 411.572 1.590 0 50 HDAA Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1NC(=O)c1ccccc1-n1cncn1 1529181132 PYLWEMKSRCEXMX-CQSZACIVSA-N 400.464 1.693 0 50 HDAA O=C(c1cnsc1)N1C[C@H]2CN(C(=O)c3scc4c3OCCO4)C[C@]2(CO)C1 1772709193 HRQJPLIQJNAQCL-SGTLLEGYSA-N 421.500 1.183 0 50 HDAA Cc1ccc2c(c1)C(=O)NCCN(C(=O)c1ccno1)CCCC(=O)NCCO2 1857703976 YHWSBJJQGRLPQZ-UHFFFAOYSA-N 400.435 1.144 0 50 HDAA CC(C)(C)c1ncc2c(n1)CN(C[C@@]1(O)CCCN(C(=O)c3cccnc3O)C1)C2 1857736606 SZTYSIANAPHJMQ-QFIPXVFZSA-N 411.506 1.858 0 50 HDAA Cn1nc(C(F)(F)F)cc1CC(=O)N1CC[C@@H]2CN(C(=O)C(F)(F)F)C[C@@H]2C1 1875330545 SIGWOZQLTCDRKU-ZJUUUORDSA-N 412.334 1.851 0 50 HDAA CC(C)c1nc(CCN(C)C(=O)[C@H]2OCC(=O)N(C3CC3)[C@@H]2c2cccnc2)no1 1940197460 RXAXDVKDRCJVKS-MOPGFXCFSA-N 413.478 1.720 0 50 HDAA CC[C@@H](C(=O)c1ccccc1)n1c(N2CCOCC2)nc2c1c(=O)n(C)c(=O)n2C 1050169 DEDUFOYBJVGZKJ-HNNXBMFYSA-N 411.462 1.104 0 50 HDAA O=C(NCCO)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccc(Br)o1 2300452 DZLILUXCSFFDJA-XFFZJAGNSA-N 423.219 1.650 0 50 HDAA COc1ccc(NC(=O)CN(C)S(=O)(=O)c2cc(OC)ccc2OC)c(OC)c1 12650479 WBYMXVINPGWMAW-UHFFFAOYSA-N 424.475 1.980 0 50 HDAA Cc1nn(C)c(C)c1CN1CCN(C(=S)Nc2ccc(S(N)(=O)=O)cc2)CC1 20294227 OBUNXIZABJFING-UHFFFAOYSA-N 422.580 1.199 0 50 HDAA Cc1cc(C(=O)N2CCC(N3CCC[C@@H](C(=O)N4CCN(C)CC4)C3)CC2)no1 71754399 MZKBXLBGPQLOCJ-QGZVFWFLSA-N 403.527 1.074 0 50 HDAA O=C(COc1cccc(-n2cnnn2)c1)N[C@H]1CCCN(CCc2ccccc2)C1 72474246 WBKIPCUMGIRADK-IBGZPJMESA-N 406.490 1.864 0 50 HDAA C[C@@H](NS(=O)(=O)c1ccc2c(c1)CCN(C(=O)CNC(N)=O)C2)c1ccccc1 77321049 OFNWKMULKBKJJP-CQSZACIVSA-N 416.503 1.279 0 50 HDAA CC(C)(C)OC(=O)CCOCCN(CCO)CCOCCC(=O)OC(C)(C)C 83254111 OUIZBEKRHPKXAD-UHFFFAOYSA-N 405.532 1.778 0 50 HDAA in-vitro CC(C)[C@@H](CNC(=O)OC(C)(C)C)C(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 170618072 CSVHQSGDGWNCMN-JKSUJKDBSA-N 417.572 1.115 0 50 HDAA CCNC(=O)N1[C@H]2CC[C@@H](C2)[C@H]1C(=O)OCc1cccc(S(=O)(=O)N(C)C)c1 239672752 BVBMQOLZOPRHHI-ZOBUZTSGSA-N 409.508 1.563 0 50 HDAA Cc1cc(C(=O)NC[C@H]2CN(CC3CCN(CC4CC4)CC3)C(=O)CO2)cc(O)n1 299798521 SGHHEKSPUARJOU-IBGZPJMESA-N 416.522 1.175 0 50 HDAA O=S(=O)(NCCN1CCCC[C@@H]1CO)c1ccc(-c2cc(C(F)(F)F)n[nH]2)o1 670465067 QMEWSWQHKSGVEN-LLVKDONJSA-N 422.429 1.814 0 50 HDAA COc1ccccc1CCC(=O)N1CCCN(S(=O)(=O)N2CCCCC2)CC1 952983253 VQDBPNCVASDCFQ-UHFFFAOYSA-N 409.552 1.893 0 50 HDAA O=C(CCc1n[nH]c2c1CCCC2)NC1CCN(C2CCS(=O)(=O)CC2)CC1 1506397458 UBMLGLRVFWCBDA-UHFFFAOYSA-N 408.568 1.379 0 50 HDAA Cc1cc(C)n(CC(=O)N2C[C@@H]3CN(C(=O)CC4CCCCC4)CC[C@@H]32)c(=O)n1 1775980944 MCGYZYRMWOWZNU-OALUTQOASA-N 400.523 1.890 0 50 HDAA CCOC(=O)[C@@H]1CCCN(c2ncnc3c2ncn3C[C@@H](CO)[C@@H]2CCOC2)C1 1857533190 MCAHMQSGJCFOIF-OAGGEKHMSA-N 403.483 1.251 0 50 HDAA N=c1ccc(C(=O)NCc2ccnc(CNS(=O)(=O)Cc3ccccc3)c2)c[nH]1 2100544719 GRTQPQFELZGIHP-UHFFFAOYSA-N 411.487 1.439 0 50 HDAA CN(C)C1(CNC(=O)C(=O)Nc2cn(C)nc2-c2ccncc2)Cc2ccccc2C1 2325719616 SSACTNNMOHHYHE-UHFFFAOYSA-N 418.501 1.636 0 50 HDAA Cc1ncn(-c2ccc(NC(=O)COC3CCN(S(C)(=O)=O)CC3)cc2)c1C 2325840787 QEBIEBZAQDXLMT-UHFFFAOYSA-N 406.508 1.868 0 50 HDAA CCOC(=O)c1[nH]nc(NS(=O)(=O)c2cnn(-c3ccccc3OC)c2)c1C 2325852760 RRDYYTGAFZIAPE-UHFFFAOYSA-N 405.436 1.890 0 50 HDAA CN(C)S(=O)(=O)N1CCC(CCCC2CCN(S(=O)(=O)N(C)C)CC2)CC1 920334 IJBNDZXTWBFYSE-UHFFFAOYSA-N 424.633 1.194 0 50 HDAA COc1ccccc1CCCNC(=O)[C@H]1CCC(=O)N(CCCN2CCCC2=O)C1 11933827 HKLAVYKUTRZDAP-IBGZPJMESA-N 415.534 1.995 0 50 HDAA Cc1nonc1C(=O)N1CCC([C@]2(C)NC(=O)N(Cc3ccsc3)C2=O)CC1 12099735 PKGQJAPJJHJCTC-SFHVURJKSA-N 403.464 1.802 0 50 HDAA Cc1nn(C)cc1CN1CCC2(CC1)C(=O)N(CCCc1ccncc1)C(=O)N2C 14536431 UDYFDESCKPEQOC-UHFFFAOYSA-N 410.522 1.985 0 50 HDAA COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)N(C)Cc2cc(C)no2)cc1OC 15072229 WWIIRDBIDDCYDR-QGZVFWFLSA-N 416.478 1.349 0 50 HDAA Cc1n[nH]c(SCCNC(=O)C[C@@H]2C(=O)NCCN2C/C=C/c2ccccc2)n1 19840135 IHDMQDRUWWYZIP-ZGRWHYIRSA-N 414.535 1.225 0 50 HDAA CN(C)CCNC(=O)[C@@H]1C[C@H](CN2CCN(C)CC2)CN(CCc2ccccc2)C1 23352267 RPUZWQSJHMSHQN-DHIUTWEWSA-N 415.626 1.092 0 50 HDAA COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1csc2nc(-c3ccc(OC)c(F)c3)cn12 67673938 BSXVYCYBMJMSNA-RISCZKNCSA-N 419.434 1.959 0 50 HDAA CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@H]2C[C@@H]([C@@H]13)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O 100473559 BDCURAWBZJMFIK-CKCKRGSKSA-N 421.578 1.531 0 50 HDAA CC(=O)NS(=O)(=O)c1ccc(N2C(=O)C[C@@H](Sc3nccc(C)n3)C2=O)cc1 100603459 ADXDVENNOXZLDO-CQSZACIVSA-N 420.472 1.034 0 50 HDAA O=C(O)CC[C@@]1(CCC(=O)N2CCCN(Cc3cccnc3)CC2)CCC(=O)N1 222968633 BLWBXHYHQWHXDM-NRFANRHFSA-N 402.495 1.410 0 50 HDAA O=c1c2ccccc2nnn1C[C@H]1CC[C@H](C(=O)N[C@@H]2C=CS(=O)(=O)C2)CC1 238900272 IKHGREJENLVRRA-RBSFLKMASA-N 402.476 1.025 0 50 HDAA O=C1[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1CC(=O)N1CCC[C@H]1c1nnc2n1CCCCC2 247728147 DYGMQKUYEVRSDO-ZZGLYJMHSA-N 409.490 1.475 0 50 HDAA C[C@H](CNC(=O)N1CCN([C@@H](C)C(=O)N2CCOCC2)CC1)c1ccc(F)cc1F 466420017 VFABGTQAPURYCU-CVEARBPZSA-N 424.492 1.643 0 50 HDAA Cc1cc(C)n(CC(=O)NC[C@@H]2CCCN(Cc3c(CO)cnc(C)c3O)C2)n1 828832772 NMGPLWPCFRKIDM-KRWDZBQOSA-N 401.511 1.430 0 50 HDAA O=C(N[C@@H]1CCS(=O)(=O)C2(CC(C(=O)N[C@H]3C[C@H]4CC[C@H]3C4)C2)C1)c1ccon1 952876189 FEXXKRDMWMUWEG-JTTAWZDHSA-N 421.519 1.435 0 50 HDAA O=C1C[C@@H](C(=O)N(CCN2CCOCC2)Cc2ccco2)CN1Cc1ccccn1 952982462 PQCADQVYHPXTOL-GOSISDBHSA-N 412.490 1.384 0 50 HDAA O=C(CCc1n[nH]c2c1CCCC2)N1CCc2nnc(Cc3cccnc3)n2CC1 1506418581 SCAUWPZGMQHJCG-UHFFFAOYSA-N 405.506 1.883 0 50 HDAA COCc1nnc(N2C[C@@H](C(=O)N3CCC(Cn4ccnc4)CC3)CC2=O)s1 1857731985 WSPFWWUYASDEEX-AWEZNQCLSA-N 404.496 1.173 0 50 HDAA O=C1CC[C@@H](N2Cc3ccc(-n4cc(CNc5nccs5)nn4)cc3C2=O)C(=O)N1 1875355110 AIRSKZAPGVWRJK-OAHLLOKOSA-N 423.458 1.097 0 50 HDAA Cc1cc(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)Cc2ccc3c(c2)CCO3)cn(C)c1=O 2325872619 GLTUSHDFEUULAZ-OALUTQOASA-N 407.470 1.297 0 50 HDAA COCCN1Cc2nnc(CCCN3CCOCC3)n2[C@H](Cc2ccccc2)C1=O 2356145540 PIZVZUBFIJNHND-LJQANCHMSA-N 413.522 1.315 0 50 HDAA Cc1ccnc(SCCn2c(Br)nc3c2c(=O)n(C)c(=O)n3C)n1 2374704 GPZQSOIPSCWUGR-UHFFFAOYSA-N 411.285 1.087 0 50 HDAA O=C1COc2ccc(S(=O)(=O)N3CCN(c4ccccc4)CC3)c3c2N1CCC3 6659264 QGMKGCKEGDNCMI-UHFFFAOYSA-N 413.499 1.869 0 50 HDAA O=C(O)[C@H]1C2CCC(CC2)[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 6731491 FXZBYQWHEGCTQW-GNNGFNCTSA-N 424.494 1.796 0 50 HDAA O=C1NCCN(Cc2ccccc2)[C@@H]1CC(=O)N1CCC(Oc2cccnc2)CC1 12318992 CUZMTGBKQBQVJA-OAQYLSRUSA-N 408.502 1.842 0 50 HDAA O=C(NC[C@H]1CCCO1)[C@@H]1C[C@H](CN2CCOCC2)CN(Cc2ccc(O)cc2)C1 14743936 HUYKNIOMAKLSMQ-KCZVDYSFSA-N 417.550 1.458 0 50 HDAA O=C1C[C@H](C(=O)N2CC(=O)N(C3CCCCC3)C[C@H](OCc3ccccc3)C2)CN1 14748802 LGBLGQBIRLSBSH-AZUAARDMSA-N 413.518 1.711 0 50 HDAA COCCN1C(=O)N(Cc2cccnc2)C(=O)C12CCN(Cc1cnn(C)c1)CC2 20205135 GRZDRCBJCWDNSN-UHFFFAOYSA-N 412.494 1.261 0 50 HDAA O=C(CCC1CCN(C(=O)[C@H](c2cccnc2)N2CCOCC2)CC1)NC1CC1 20785394 IWNXVYVKFWSZIY-NRFANRHFSA-N 400.523 1.752 0 50 HDAA Cc1ccn(-c2ccc(N3CCN(S(=O)(=O)c4ccc(F)c(F)c4)CC3)nn2)n1 72115910 YGJQFIFTFHCBDL-UHFFFAOYSA-N 420.445 1.760 0 50 HDAA Cc1ccc(CCN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N(C)Cc3cnccn3)[C@H]4C2=O)cc1 77426890 LFSIAGINXWKLRJ-XARGGIHNSA-N 418.497 1.768 0 50 HDAA COc1cccc(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N(C)Cc3ncc[nH]3)[C@H]4C2=O)c1 77505705 IWRYJGMKNBNXMC-FUOQNJDISA-N 408.458 1.359 0 50 HDAA O=C(Cn1cnnc1O)N1CC[C@](c2nc(-c3ccccn3)no2)(C(F)(F)F)C1 952894841 UHEMRHXSHYMGGJ-HNNXBMFYSA-N 409.328 1.161 0 50 HDAA NC(=O)CCC1CCN(C(=O)[C@H]2OCC(=O)N(C3CC3)[C@@H]2c2cccnc2)CC1 1529194616 AWPOXBNFDIUUEH-UXHICEINSA-N 400.479 1.017 0 50 HDAA COCCN1C[C@H](C(=O)N2CCC3(CC2)OCCc2cccc(OC)c23)CCC1=O 1704342836 QTUBKGICOJZTJN-GOSISDBHSA-N 416.518 1.971 0 50 HDAA CSCC(=O)N1C[C@H]2CN(C(=O)Cc3csc(C)n3)C[C@]2(CCC(=O)O)C1 1772808827 CECFNAUYOSIIER-FZKQIMNGSA-N 411.549 1.509 0 50 HDAA C[C@H]1CN(C(=O)Nc2cccc3c2N(C)C(=O)CO3)CCN1c1nccn2cnnc12 1775997467 JZSYESJLHQRPGH-ZDUSSCGKSA-N 422.449 1.222 0 50 HDAA O=C(c1ncc[nH]1)N1CC[C@@H]2C[C@H](N3CCOCC3)CC[C@@]2(C(=O)NC2CC2)C1 1857671039 MIUUNKWKXUIQBN-QLVMHMETSA-N 401.511 1.022 0 50 HDAA Cc1cncc(C(=O)NC[C@@H]2CN(CC3CCN(CC4CC4)CC3)C(=O)CO2)c1 1857679801 WHFMJTDMYKDQJH-HXUWFJFHSA-N 400.523 1.469 0 50 HDAA CCN1CC[C@@H]2C[C@@H](N3CCOCC3)CC[C@@]2(C(=O)NCc2nc(C3CC3)no2)C1 1857695149 WIGLSCDKWCTQJL-KGVIQGDOSA-N 417.554 1.776 0 50 HDAA CNS(=O)(=O)CCNC(=O)[C@H]1CCCN(c2nc3cc(Cl)ccc3o2)C1 1857722275 FOCJKMNCBHWASH-NSHDSACASA-N 400.888 1.363 0 50 HDAA O=C(c1cnc2ccccn2c1=O)N1CC[C@@]23O[C@@H](c4ccccc4)CN2C(=O)C[C@@H]13 1857727810 AQHHJFZIAXXXHF-PNCHPQGNSA-N 416.437 1.609 0 50 HDAA CC(C)(C)c1ncc2c(n1)CN(C[C@]1(O)CCCN(C(=O)c3cccnc3O)C1)C2 1857736604 SZTYSIANAPHJMQ-JOCHJYFZSA-N 411.506 1.858 0 50 HDAA CC1(C)CC[C@H](NC(=O)[C@@H]2CN3CCN2CC3)[C@@H](CNc2ncnn3cccc23)C1 1875328091 YCNNKELRFGKEEM-AOIWGVFYSA-N 411.554 1.452 0 50 HDAA COc1ccc(NC(=O)Cn2cc(NC(=O)c3nnn(-c4ccccc4)n3)cn2)cc1 1875351662 DXOHZXPZZQYZMT-UHFFFAOYSA-N 418.417 1.758 0 50 HDAA O=C1CC[C@@H](N2Cc3c(cccc3-n3cc(CCc4ccccc4)nn3)C2=O)C(=O)N1 1875355983 JCORMDQTWVQFQB-HXUWFJFHSA-N 415.453 1.814 0 50 HDAA C=CC(=O)N[C@@H]1CCCO[C@@H]1C1CCN(C(=O)C(=O)NCc2ccc(F)cc2)CC1 1875383580 ZTRCQCXFPPHLMS-UYAOXDASSA-N 417.481 1.530 0 50 HDAA C[C@@H]1C[C@@H](NC(=O)[C@H]2CN3CCC[C@H]3CO2)CN1C(=O)c1ccc(-c2ccccn2)o1 2325828543 KDAVEOCFOBYVLT-PZTGFMGMSA-N 424.501 1.924 0 50 HDAA Cn1cccc1-c1nnc2ccc(C(=O)NC3CCN(c4cnccn4)CC3)cn12 2356153308 ZNSQMEZWIRTTDC-UHFFFAOYSA-N 402.462 1.924 0 50 HDAA CO[C@@H]1C[C@@H](C(=O)NCCCn2ccnn2)CC[C@H]1NC(=O)Nc1ccccc1 2356162689 IIKOQIISYFAAGF-CGTJXYLNSA-N 400.483 1.790 0 50 HDAA CC1CCN(Cc2nnnn2CC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)CC1 12433053 XDOANZAJIGBPGJ-FQEVSTJZSA-N 411.554 1.686 0 50 HDAA O=C([C@H]1CCCO1)N1CCN(c2cccc3c2C(=O)N(Cc2ccccn2)C3=O)CC1 14989933 CRFJIGUZVYZZKP-LJQANCHMSA-N 420.469 1.705 0 50 HDAA COc1ccc(S(=O)(=O)N2CCN(c3cc(-n4ccnc4)ncn3)CC2)cc1C 67601864 YGKDTUXKKLLMFJ-UHFFFAOYSA-N 414.491 1.490 0 50 HDAA O=C(O)[C@@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 136307514 QKPRYFGJUWCWLW-WRFANHODSA-N 410.467 1.406 0 50 HDAA O=C(CN1C(=O)NC2(CCOCC2)C1=O)Nc1ccc(Br)cc1F 169773470 QBFCBKCYYZCQNS-UHFFFAOYSA-N 400.204 1.628 0 50 HDAA COc1cc(CC(=O)N2CCCO[C@@H](Cn3cccn3)C2)c(C(C)=O)cc1OC 426415364 MCBMSYBIMXFRHG-QGZVFWFLSA-N 401.463 1.963 0 50 HDAA O=C(NCCNc1ccc(S(=O)(=O)N2CCCCC2)cn1)c1ccc(O)cc1 436702678 DRZJICPODPLDMK-UHFFFAOYSA-N 404.492 1.804 0 50 HDAA Cc1nn(C)c(C)c1CCC(=O)N[C@H]1C2CN3CCN(C2)CC1(c1ccccc1)C3 670473467 ZVZVLQUUBYODFJ-JWLIYLPMSA-N 407.562 1.653 0 50 HDAA COC(=O)Nc1ccc(CNC(=O)COC(=O)CN2Cc3ccccc3C2=O)cc1 730053093 YEYNOWKBNWGVNL-UHFFFAOYSA-N 411.414 1.680 0 50 HDAA O=C(Nc1ccc(OCC(=O)N2CCOCC2)cc1)c1cnc2ccccn2c1=O 827968272 LFXGLTATXOFRIV-UHFFFAOYSA-N 408.414 1.184 0 50 HDAA Cc1sc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)NC[C@H]1CNCCO1 1506431617 RTULBPDFHMCTHW-SECBINFHSA-N 411.427 1.997 0 50 HDAA Cc1ccc(-n2cccn2)cc1S(=O)(=O)N1CC[C@@]2(C(=O)O)CCCN(C)[C@@H]2C1 1704344066 JNQBAMCCOLIKND-QUCCMNQESA-N 418.519 1.740 0 50 HDAA CCCCN1C[C@@H]2CN(C(=O)CNS(C)(=O)=O)C[C@@]2(CCc2ccccc2)C1 1772815875 AONLTOKADOQWBY-TZIWHRDSSA-N 407.580 1.729 0 50 HDAA CN1CCOC2(CCN(S(=O)(=O)c3cc(C(=O)O)c(Cl)cc3F)CC2)C1 1772819679 ZFQKEGJPPUPVIZ-UHFFFAOYSA-N 406.863 1.663 0 50 HDAA COc1cc(-c2nc(CNC(=O)Cn3cc(C)c(O)nc3=O)c(C)o2)ccc1O 1857674865 ATYPHQMBPMROIG-UHFFFAOYSA-N 400.391 1.251 0 50 HDAA COC(=O)c1cnc(NC[C@@H]2CN(CC3CCN(CC4CC4)CC3)C(=O)CO2)cn1 1857681380 BTUQIOMUZJACGL-QGZVFWFLSA-N 417.510 1.025 0 50 HDAA CCOC(=O)CCNC(=O)N1CC(=O)N2[C@@H](C[C@H](C(=O)OC)[C@@H]2c2ccccc2)C1 1857715385 PBOWTEQGJOUSNQ-BXWFABGCSA-N 417.462 1.096 0 50 HDAA Cc1ccn2cc(CNC(=O)[C@H]3OCC(=O)N(C4CC4)[C@@H]3c3cccnc3)nc2c1 2100539432 IIVQJKNNCZRAHF-RTWAWAEBSA-N 405.458 1.785 0 50 HDAA COc1ccccc1-n1cc(C(=O)NCc2cc(CNC(=O)[C@H](C)O)ccn2)cn1 2100543327 PPKBGMJROJJIQJ-AWEZNQCLSA-N 409.446 1.203 0 50 HDAA